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 2b5o_1_A DATA FIRST_RESID 111 DATA SEQUENCE SVPVNIYRPK TPFLGKCIEN YELVDEGGSG TVRHVTFDIS EGDLRYLEGQ DATA SEQUENCE SIGIIPPGED KNGKPHKLRL YSIASTRHGD MEDNKTVSLC VRQLEYQDPE DATA SEQUENCE SGETVYGVCS TYLCNLPVGT DDVKITGPVG KEMLLPDDED ATVVMLATGT DATA SEQUENCE GIAPFRAFLW RMFKEQHEDY KFKGKAWLIF GVPYTANILY KDDFEKMAAE DATA SEQUENCE NPDNFRLTYA ISREQKTADG GKVYVQSRVS EYADELFEMI QKPNTHVYMC DATA SEQUENCE GLKGMQPPID ETFTAEAEKR GLNWEEMRRS MKKEHRWHVE VY 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 111 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 111 S C 0.000 174.586 174.600 -0.024 0.000 1.055 111 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 111 S CB 0.000 63.190 63.200 -0.016 0.000 0.593 112 V N 5.765 125.668 119.914 -0.018 0.000 2.405 112 V HA 0.467 4.588 4.120 0.001 0.000 0.264 112 V C -2.027 174.060 176.094 -0.012 0.000 1.048 112 V CA -1.244 61.047 62.300 -0.015 0.000 0.966 112 V CB 0.482 32.302 31.823 -0.006 0.000 1.015 112 V HN 0.471 8.661 8.190 -0.000 0.000 0.477 113 P HA 0.359 4.779 4.420 -0.000 0.000 0.271 113 P C -0.801 176.503 177.300 0.006 0.000 1.216 113 P CA 0.066 63.161 63.100 -0.007 0.000 0.776 113 P CB 1.471 33.171 31.700 -0.001 0.000 0.881 114 V N -1.771 118.142 119.914 -0.002 0.000 3.012 114 V HA 0.477 4.597 4.120 0.001 0.000 0.307 114 V C 0.004 176.094 176.094 -0.006 0.000 1.166 114 V CA -1.070 61.232 62.300 0.004 0.000 0.974 114 V CB 1.681 33.505 31.823 0.002 0.000 1.040 114 V HN 0.634 8.824 8.190 -0.000 0.000 0.428 115 N N 1.308 120.012 118.700 0.007 0.000 2.710 115 N HA -0.211 4.529 4.740 0.001 0.000 0.249 115 N C 0.950 176.434 175.510 -0.043 0.000 1.059 115 N CA 1.259 54.311 53.050 0.002 0.000 0.720 115 N CB -0.813 37.672 38.487 -0.003 0.000 0.983 115 N HN 0.886 9.266 8.380 -0.000 0.000 0.544 116 I N -1.111 119.419 120.570 -0.067 0.000 2.264 116 I HA -0.233 3.938 4.170 0.001 0.000 0.248 116 I C 0.394 176.217 176.117 -0.491 0.000 1.111 116 I CA 1.577 62.735 61.300 -0.236 0.000 1.382 116 I CB -0.120 37.768 38.000 -0.187 0.000 1.060 116 I HN 0.156 8.366 8.210 -0.000 0.000 0.418 117 Y N 0.316 120.624 120.300 0.013 0.000 2.376 117 Y HA 0.497 5.048 4.550 0.001 0.000 0.340 117 Y C 0.231 176.142 175.900 0.018 0.000 0.965 117 Y CA -0.924 57.195 58.100 0.031 0.000 1.078 117 Y CB 1.001 39.500 38.460 0.064 0.000 1.193 117 Y HN -0.159 8.121 8.280 -0.000 0.000 0.452 118 R N 3.629 124.213 120.500 0.140 0.000 2.536 118 R HA 0.289 4.630 4.340 0.001 0.000 0.279 118 R C -1.814 174.537 176.300 0.085 0.000 1.001 118 R CA -1.911 54.237 56.100 0.079 0.000 1.027 118 R CB 0.889 31.212 30.300 0.039 0.000 1.096 118 R HN 0.367 8.637 8.270 -0.000 0.000 0.502 119 P HA -0.188 4.232 4.420 -0.000 0.000 0.218 119 P C 0.419 177.737 177.300 0.030 0.000 1.146 119 P CA 1.426 64.548 63.100 0.036 0.000 0.813 119 P CB 0.198 31.911 31.700 0.022 0.000 0.778 120 K N -0.600 119.819 120.400 0.030 0.000 2.009 120 K HA -0.059 4.261 4.320 0.001 0.000 0.210 120 K C 0.389 177.009 176.600 0.032 0.000 1.049 120 K CA 1.391 57.693 56.287 0.024 0.000 0.929 120 K CB -0.743 31.770 32.500 0.022 0.000 0.714 120 K HN 0.174 8.424 8.250 -0.000 0.000 0.440 121 T N 3.111 117.702 114.554 0.061 0.000 3.410 121 T HA 0.210 4.561 4.350 0.001 0.000 0.328 121 T C -2.555 172.233 174.700 0.147 0.000 1.567 121 T CA -1.289 60.860 62.100 0.081 0.000 1.626 121 T CB 1.491 70.411 68.868 0.087 0.000 0.939 121 T HN 0.065 8.305 8.240 -0.000 0.000 0.656 122 P HA 0.250 4.670 4.420 -0.000 0.000 0.272 122 P C -0.074 177.209 177.300 -0.029 0.000 1.230 122 P CA -0.667 62.475 63.100 0.070 0.000 0.788 122 P CB 0.756 32.447 31.700 -0.017 0.000 0.949 123 F N 1.519 121.177 119.950 -0.487 0.000 2.496 123 F HA 0.196 4.723 4.527 0.001 0.000 0.344 123 F C -0.124 175.457 175.800 -0.364 0.000 1.155 123 F CA -0.176 57.383 58.000 -0.735 0.000 1.302 123 F CB 0.173 38.349 39.000 -1.374 0.000 1.159 123 F HN 0.068 8.368 8.300 -0.000 0.000 0.595 124 L N 5.926 126.316 121.223 -1.388 0.000 2.277 124 L HA 0.443 4.783 4.340 0.001 0.000 0.284 124 L C 0.481 176.639 176.870 -1.188 0.000 1.028 124 L CA -0.565 53.709 54.840 -0.942 0.000 0.835 124 L CB 0.518 42.234 42.059 -0.571 0.000 1.215 124 L HN 0.814 9.044 8.230 -0.000 0.000 0.425 125 G N 2.435 110.887 108.800 -0.580 0.000 2.491 125 G HA2 0.460 4.420 3.960 0.001 0.000 0.327 125 G HA3 0.460 4.420 3.960 0.001 0.000 0.327 125 G C -1.173 173.703 174.900 -0.039 0.000 1.189 125 G CA -0.488 44.513 45.100 -0.165 0.000 0.956 125 G HN 0.458 8.748 8.290 -0.000 0.000 0.491 126 K N -0.284 120.198 120.400 0.137 0.000 2.413 126 K HA 0.355 4.675 4.320 0.001 0.000 0.257 126 K C -0.774 175.984 176.600 0.262 0.000 0.946 126 K CA -0.680 55.695 56.287 0.147 0.000 0.823 126 K CB 1.526 34.078 32.500 0.086 0.000 1.109 126 K HN 0.489 8.739 8.250 -0.000 0.000 0.427 127 C N 7.360 126.802 119.300 0.236 0.000 2.657 127 C HA 0.207 4.668 4.460 0.001 0.000 0.404 127 C C 1.600 176.569 174.990 -0.035 0.000 1.369 127 C CA -0.393 58.651 59.018 0.044 0.000 1.665 127 C CB -1.736 25.990 27.740 -0.024 0.000 2.453 127 C HN 0.907 9.137 8.230 -0.000 0.000 0.599 128 I N 2.680 123.200 120.570 -0.085 0.000 4.181 128 I HA 0.378 4.548 4.170 0.001 0.000 0.331 128 I C 0.342 176.431 176.117 -0.046 0.000 1.312 128 I CA 0.090 61.368 61.300 -0.035 0.000 1.146 128 I CB -0.246 37.758 38.000 0.007 0.000 1.074 128 I HN 0.789 8.999 8.210 -0.000 0.000 0.402 129 E N 1.525 121.655 120.200 -0.116 0.000 2.390 129 E HA 0.399 4.750 4.350 0.001 0.000 0.280 129 E C -1.648 174.871 176.600 -0.135 0.000 0.992 129 E CA -0.915 55.459 56.400 -0.044 0.000 0.790 129 E CB 1.616 31.371 29.700 0.091 0.000 1.248 129 E HN 0.078 8.438 8.360 -0.000 0.000 0.447 130 N N 1.840 120.516 118.700 -0.041 0.000 2.699 130 N HA 0.204 4.945 4.740 0.001 0.000 0.271 130 N C -2.214 173.303 175.510 0.011 0.000 1.216 130 N CA -0.328 52.645 53.050 -0.128 0.000 0.844 130 N CB 0.891 39.281 38.487 -0.161 0.000 1.462 130 N HN 0.612 8.992 8.380 -0.000 0.000 0.555 131 Y N 0.368 120.653 120.300 -0.025 0.000 2.545 131 Y HA 0.746 5.296 4.550 0.001 0.000 0.348 131 Y C -0.052 175.841 175.900 -0.012 0.000 1.002 131 Y CA -1.296 56.796 58.100 -0.013 0.000 1.039 131 Y CB 0.877 39.337 38.460 0.000 0.000 1.271 131 Y HN 0.229 8.509 8.280 -0.000 0.000 0.467 132 E N 1.976 122.291 120.200 0.191 0.000 2.316 132 E HA 0.253 4.603 4.350 0.001 0.000 0.275 132 E C -0.637 176.035 176.600 0.120 0.000 1.029 132 E CA 0.030 56.477 56.400 0.079 0.000 0.871 132 E CB 0.907 30.637 29.700 0.051 0.000 1.022 132 E HN 0.900 9.260 8.360 -0.000 0.000 0.418 133 L N 3.258 124.493 121.223 0.019 0.000 2.513 133 L HA 0.217 4.557 4.340 0.001 0.000 0.222 133 L C 0.038 176.899 176.870 -0.016 0.000 1.096 133 L CA -0.103 54.721 54.840 -0.026 0.000 0.857 133 L CB 0.510 42.461 42.059 -0.181 0.000 1.026 133 L HN 0.316 8.546 8.230 -0.000 0.000 0.469 134 V N 0.896 120.810 119.914 0.000 0.000 2.432 134 V HA 0.101 4.222 4.120 0.001 0.000 0.271 134 V C -0.251 175.843 176.094 -0.000 0.000 1.046 134 V CA -0.570 61.733 62.300 0.005 0.000 0.945 134 V CB 1.112 32.943 31.823 0.014 0.000 0.992 134 V HN 0.085 8.275 8.190 -0.000 0.000 0.471 135 D N 2.783 123.179 120.400 -0.006 0.000 2.371 135 D HA 0.206 4.847 4.640 0.001 0.000 0.242 135 D C 0.300 176.579 176.300 -0.036 0.000 1.218 135 D CA -0.274 53.717 54.000 -0.016 0.000 0.945 135 D CB 0.484 41.275 40.800 -0.015 0.000 1.137 135 D HN 0.650 9.020 8.370 -0.000 0.000 0.464 136 E N -0.500 119.677 120.200 -0.038 0.000 2.465 136 E HA 0.296 4.646 4.350 0.001 0.000 0.260 136 E C 1.009 177.557 176.600 -0.086 0.000 0.980 136 E CA 1.071 57.439 56.400 -0.054 0.000 0.927 136 E CB 0.099 29.773 29.700 -0.043 0.000 0.934 136 E HN 0.580 8.940 8.360 -0.000 0.000 0.459 137 G N 2.468 111.198 108.800 -0.116 0.000 2.195 137 G HA2 -0.216 3.745 3.960 0.001 0.000 0.246 137 G HA3 -0.216 3.745 3.960 0.001 0.000 0.246 137 G C 0.601 175.316 174.900 -0.309 0.000 0.984 137 G CA 0.016 44.997 45.100 -0.198 0.000 0.633 137 G HN 0.906 9.196 8.290 -0.000 0.000 0.525 138 G N -0.226 108.457 108.800 -0.195 0.000 2.588 138 G HA2 0.605 4.566 3.960 0.001 0.000 0.281 138 G HA3 0.605 4.566 3.960 0.001 0.000 0.281 138 G C 0.257 175.103 174.900 -0.090 0.000 1.236 138 G CA 0.925 45.927 45.100 -0.163 0.000 0.969 138 G HN 1.506 9.796 8.290 -0.000 0.000 0.504 139 S N -1.140 114.592 115.700 0.053 0.000 2.501 139 S HA 0.715 5.185 4.470 0.001 0.000 0.301 139 S C 0.369 175.019 174.600 0.084 0.000 1.096 139 S CA 0.781 59.037 58.200 0.093 0.000 1.063 139 S CB 0.806 64.139 63.200 0.222 0.000 1.042 139 S HN 2.554 10.864 8.310 -0.000 0.000 0.494 140 G N 1.719 110.560 108.800 0.068 0.000 2.760 140 G HA2 0.043 4.004 3.960 0.001 0.000 0.246 140 G HA3 0.043 4.004 3.960 0.001 0.000 0.246 140 G C -0.216 174.715 174.900 0.052 0.000 1.359 140 G CA -0.216 44.926 45.100 0.071 0.000 0.861 140 G HN 1.798 10.088 8.290 -0.000 0.000 0.541 141 T N -1.439 113.147 114.554 0.054 0.000 2.879 141 T HA 0.647 4.998 4.350 0.001 0.000 0.290 141 T C -0.643 174.076 174.700 0.031 0.000 0.993 141 T CA 0.145 62.264 62.100 0.031 0.000 0.975 141 T CB 1.449 70.328 68.868 0.018 0.000 0.981 141 T HN 1.603 9.843 8.240 -0.000 0.000 0.439 142 V N 5.909 125.833 119.914 0.015 0.000 2.656 142 V HA 0.695 4.815 4.120 0.001 0.000 0.307 142 V C -0.144 175.924 176.094 -0.043 0.000 1.051 142 V CA -1.002 61.301 62.300 0.004 0.000 0.893 142 V CB 2.015 33.854 31.823 0.027 0.000 0.999 142 V HN 0.850 9.040 8.190 -0.000 0.000 0.426 143 R N 1.061 121.514 120.500 -0.079 0.000 2.686 143 R HA 0.511 4.851 4.340 0.001 0.000 0.286 143 R C -1.336 174.839 176.300 -0.209 0.000 0.969 143 R CA -1.025 54.988 56.100 -0.145 0.000 0.898 143 R CB 2.518 32.728 30.300 -0.149 0.000 1.183 143 R HN 0.852 9.122 8.270 -0.000 0.000 0.456 144 H N 1.451 120.237 119.070 -0.473 0.000 2.594 144 H HA 0.351 4.907 4.556 0.001 0.000 0.304 144 H C -1.096 173.900 175.328 -0.554 0.000 1.068 144 H CA -0.253 55.471 56.048 -0.540 0.000 1.308 144 H CB 0.779 29.999 29.762 -0.903 0.000 1.409 144 H HN 0.147 8.427 8.280 -0.000 0.000 0.460 145 V N 5.765 125.244 119.914 -0.725 0.000 2.444 145 V HA 0.344 4.465 4.120 0.001 0.000 0.294 145 V C -0.114 175.470 176.094 -0.850 0.000 1.022 145 V CA -0.690 61.198 62.300 -0.687 0.000 0.850 145 V CB 1.725 33.178 31.823 -0.616 0.000 0.992 145 V HN 0.875 9.065 8.190 -0.000 0.000 0.426 146 T N 5.174 119.267 114.554 -0.767 0.000 2.856 146 T HA 0.777 5.128 4.350 0.001 0.000 0.283 146 T C -0.877 173.400 174.700 -0.707 0.000 1.008 146 T CA -0.240 61.506 62.100 -0.591 0.000 0.997 146 T CB 1.243 69.981 68.868 -0.216 0.000 0.992 146 T HN 0.317 8.557 8.240 -0.000 0.000 0.454 147 F N 0.941 120.850 119.950 -0.069 0.000 2.551 147 F HA 0.370 4.898 4.527 0.001 0.000 0.316 147 F C 0.315 176.129 175.800 0.023 0.000 1.089 147 F CA -1.247 56.739 58.000 -0.024 0.000 0.915 147 F CB 1.359 40.344 39.000 -0.025 0.000 1.186 147 F HN 0.411 8.711 8.300 -0.000 0.000 0.456 148 D N 3.386 123.928 120.400 0.237 0.000 2.351 148 D HA 0.202 4.842 4.640 0.001 0.000 0.251 148 D C 0.465 176.918 176.300 0.254 0.000 1.137 148 D CA 0.151 54.265 54.000 0.189 0.000 0.879 148 D CB 1.025 41.915 40.800 0.149 0.000 1.181 148 D HN 0.658 9.028 8.370 -0.000 0.000 0.448 149 I N 0.617 121.290 120.570 0.171 0.000 4.225 149 I HA 0.085 4.256 4.170 0.001 0.000 0.327 149 I C 1.426 177.493 176.117 -0.083 0.000 1.422 149 I CA -0.438 60.883 61.300 0.036 0.000 1.150 149 I CB 0.162 38.087 38.000 -0.127 0.000 1.192 149 I HN 0.170 8.380 8.210 -0.000 0.000 0.440 150 S N 0.584 116.324 115.700 0.066 0.000 2.469 150 S HA -0.113 4.358 4.470 0.001 0.000 0.238 150 S C 1.455 176.098 174.600 0.072 0.000 0.998 150 S CA 1.238 59.467 58.200 0.049 0.000 0.957 150 S CB -0.445 62.797 63.200 0.071 0.000 0.764 150 S HN 0.633 8.943 8.310 -0.000 0.000 0.514 151 E N 1.100 121.407 120.200 0.179 0.000 2.427 151 E HA 0.239 4.590 4.350 0.001 0.000 0.196 151 E C 1.082 177.817 176.600 0.224 0.000 1.028 151 E CA 0.507 57.051 56.400 0.241 0.000 0.864 151 E CB 0.083 29.994 29.700 0.353 0.000 0.813 151 E HN 0.698 9.058 8.360 -0.000 0.000 0.514 152 G N -0.403 108.360 108.800 -0.062 0.000 3.108 152 G HA2 0.148 4.109 3.960 0.001 0.000 0.268 152 G HA3 0.148 4.109 3.960 0.001 0.000 0.268 152 G C -0.527 174.331 174.900 -0.069 0.000 1.361 152 G CA -0.549 44.499 45.100 -0.087 0.000 1.047 152 G HN -0.032 8.258 8.290 -0.000 0.000 0.540 153 D N 0.506 120.950 120.400 0.072 0.000 2.395 153 D HA 0.045 4.686 4.640 0.001 0.000 0.226 153 D C 0.575 176.897 176.300 0.036 0.000 1.146 153 D CA -0.422 53.584 54.000 0.009 0.000 0.830 153 D CB 0.615 41.389 40.800 -0.044 0.000 0.958 153 D HN -0.021 8.349 8.370 -0.000 0.000 0.501 154 L N 2.018 123.286 121.223 0.074 0.000 2.615 154 L HA 0.064 4.404 4.340 0.001 0.000 0.271 154 L C 0.180 177.102 176.870 0.087 0.000 1.183 154 L CA 0.903 55.812 54.840 0.115 0.000 0.933 154 L CB -0.607 41.449 42.059 -0.005 0.000 1.199 154 L HN -0.065 8.165 8.230 -0.000 0.000 0.487 155 R N 5.372 125.925 120.500 0.088 0.000 2.750 155 R HA 0.672 5.013 4.340 0.001 0.000 0.281 155 R C -1.455 174.898 176.300 0.088 0.000 0.972 155 R CA -0.651 55.449 56.100 0.001 0.000 0.912 155 R CB 2.370 32.634 30.300 -0.061 0.000 1.187 155 R HN 0.598 8.868 8.270 -0.000 0.000 0.464 156 Y N -1.063 119.199 120.300 -0.064 0.000 2.656 156 Y HA 0.603 5.153 4.550 0.001 0.000 0.334 156 Y C -1.711 174.136 175.900 -0.089 0.000 1.179 156 Y CA -1.360 56.703 58.100 -0.063 0.000 1.050 156 Y CB 1.176 39.605 38.460 -0.052 0.000 1.308 156 Y HN 0.316 8.596 8.280 -0.000 0.000 0.456 157 L N 1.560 122.834 121.223 0.085 0.000 2.313 157 L HA 0.551 4.892 4.340 0.001 0.000 0.268 157 L C -0.569 176.362 176.870 0.101 0.000 1.010 157 L CA -1.321 53.511 54.840 -0.013 0.000 0.814 157 L CB 1.775 43.813 42.059 -0.036 0.000 1.304 157 L HN 0.642 8.872 8.230 -0.000 0.000 0.441 158 E N 0.539 120.759 120.200 0.033 0.000 2.392 158 E HA 0.343 4.694 4.350 0.001 0.000 0.264 158 E C 0.813 177.526 176.600 0.189 0.000 1.024 158 E CA 1.062 57.531 56.400 0.114 0.000 0.903 158 E CB 0.492 30.257 29.700 0.108 0.000 0.963 158 E HN 0.752 9.112 8.360 -0.000 0.000 0.432 159 G N 1.821 110.706 108.800 0.142 0.000 2.195 159 G HA2 -0.303 3.658 3.960 0.001 0.000 0.246 159 G HA3 -0.303 3.658 3.960 0.001 0.000 0.246 159 G C 0.301 175.218 174.900 0.028 0.000 0.984 159 G CA 0.097 45.250 45.100 0.088 0.000 0.633 159 G HN 0.443 8.733 8.290 -0.000 0.000 0.525 160 Q N -0.036 119.783 119.800 0.031 0.000 2.222 160 Q HA 0.717 5.058 4.340 0.001 0.000 0.211 160 Q C -0.129 175.840 176.000 -0.053 0.000 1.013 160 Q CA -0.034 55.774 55.803 0.009 0.000 0.993 160 Q CB 1.229 29.995 28.738 0.046 0.000 1.151 160 Q HN 0.274 8.544 8.270 -0.000 0.000 0.544 161 S N -0.029 115.637 115.700 -0.057 0.000 2.632 161 S HA 0.679 5.149 4.470 0.001 0.000 0.289 161 S C -0.713 173.840 174.600 -0.078 0.000 1.115 161 S CA -0.757 57.391 58.200 -0.086 0.000 0.889 161 S CB 1.132 64.278 63.200 -0.091 0.000 1.116 161 S HN 0.528 8.838 8.310 -0.000 0.000 0.486 162 I N -1.283 119.244 120.570 -0.073 0.000 2.846 162 I HA 0.952 5.122 4.170 0.001 0.000 0.307 162 I C 0.105 176.221 176.117 -0.002 0.000 1.053 162 I CA -1.190 60.081 61.300 -0.047 0.000 1.050 162 I CB 1.665 39.613 38.000 -0.085 0.000 1.239 162 I HN 0.671 8.881 8.210 -0.000 0.000 0.439 163 G N 4.121 112.923 108.800 0.004 0.000 2.367 163 G HA2 0.648 4.609 3.960 0.001 0.000 0.314 163 G HA3 0.648 4.609 3.960 0.001 0.000 0.314 163 G C -0.676 174.251 174.900 0.045 0.000 1.130 163 G CA -0.550 44.565 45.100 0.026 0.000 0.864 163 G HN 0.439 8.729 8.290 -0.000 0.000 0.486 164 I N 1.820 122.460 120.570 0.117 0.000 2.465 164 I HA 0.345 4.515 4.170 0.001 0.000 0.291 164 I C -0.264 175.901 176.117 0.081 0.000 1.014 164 I CA -0.815 60.537 61.300 0.086 0.000 1.093 164 I CB 1.903 39.987 38.000 0.139 0.000 1.267 164 I HN 0.318 8.528 8.210 -0.000 0.000 0.431 165 I N 7.769 128.352 120.570 0.021 0.000 2.306 165 I HA 0.227 4.398 4.170 0.001 0.000 0.288 165 I C -2.021 174.040 176.117 -0.093 0.000 1.036 165 I CA -1.681 59.616 61.300 -0.005 0.000 1.221 165 I CB 1.228 39.219 38.000 -0.015 0.000 1.385 165 I HN 0.228 8.438 8.210 -0.000 0.000 0.472 166 P HA 0.191 4.611 4.420 -0.000 0.000 0.271 166 P C -2.509 174.559 177.300 -0.387 0.000 1.218 166 P CA -1.229 61.567 63.100 -0.507 0.000 0.780 166 P CB -0.139 31.345 31.700 -0.360 0.000 0.901 167 P HA 0.228 4.648 4.420 -0.000 0.000 0.273 167 P C 0.557 177.851 177.300 -0.010 0.000 1.250 167 P CA 0.703 63.662 63.100 -0.235 0.000 0.793 167 P CB 0.085 31.629 31.700 -0.260 0.000 1.011 168 G N 0.188 109.000 108.800 0.021 0.000 2.548 168 G HA2 -0.076 3.885 3.960 0.001 0.000 0.208 168 G HA3 -0.076 3.885 3.960 0.001 0.000 0.208 168 G C -1.325 173.546 174.900 -0.050 0.000 1.308 168 G CA -0.488 44.649 45.100 0.061 0.000 0.924 168 G HN 0.599 8.889 8.290 -0.000 0.000 0.540 169 E N -0.798 119.318 120.200 -0.141 0.000 2.446 169 E HA 0.565 4.916 4.350 0.001 0.000 0.276 169 E C -1.118 175.226 176.600 -0.428 0.000 0.969 169 E CA -0.879 55.300 56.400 -0.370 0.000 0.800 169 E CB 2.231 31.830 29.700 -0.169 0.000 1.341 169 E HN 0.494 8.854 8.360 -0.000 0.000 0.460 170 D N -0.036 120.132 120.400 -0.386 0.000 2.440 170 D HA 0.114 4.754 4.640 0.001 0.000 0.258 170 D C 0.731 176.978 176.300 -0.088 0.000 1.092 170 D CA -0.378 53.516 54.000 -0.178 0.000 1.016 170 D CB 1.048 41.764 40.800 -0.139 0.000 1.141 170 D HN 0.452 8.822 8.370 -0.000 0.000 0.552 171 K N 0.075 120.454 120.400 -0.035 0.000 2.189 171 K HA -0.211 4.110 4.320 0.001 0.000 0.207 171 K C 0.489 177.071 176.600 -0.029 0.000 1.046 171 K CA 1.387 57.662 56.287 -0.020 0.000 0.928 171 K CB -0.310 32.188 32.500 -0.004 0.000 0.720 171 K HN 0.264 8.514 8.250 -0.000 0.000 0.458 172 N N 0.738 119.414 118.700 -0.040 0.000 2.322 172 N HA 0.053 4.793 4.740 0.001 0.000 0.216 172 N C 0.218 175.699 175.510 -0.048 0.000 1.144 172 N CA 0.618 53.646 53.050 -0.038 0.000 0.830 172 N CB 0.980 39.448 38.487 -0.033 0.000 1.034 172 N HN 0.559 8.939 8.380 -0.000 0.000 0.484 173 G N 2.006 110.769 108.800 -0.061 0.000 2.160 173 G HA2 -0.314 3.647 3.960 0.001 0.000 0.251 173 G HA3 -0.314 3.647 3.960 0.001 0.000 0.251 173 G C -0.082 174.768 174.900 -0.083 0.000 1.008 173 G CA 0.407 45.468 45.100 -0.065 0.000 0.724 173 G HN 0.524 8.814 8.290 -0.000 0.000 0.514 174 K N -0.190 120.144 120.400 -0.111 0.000 2.159 174 K HA 0.706 5.027 4.320 0.001 0.000 0.266 174 K C -2.831 173.655 176.600 -0.190 0.000 0.975 174 K CA -2.494 53.722 56.287 -0.118 0.000 0.865 174 K CB 2.038 34.480 32.500 -0.097 0.000 1.087 174 K HN -0.009 8.241 8.250 -0.000 0.000 0.446 175 P HA -0.072 4.348 4.420 -0.000 0.000 0.266 175 P C -0.673 176.521 177.300 -0.177 0.000 1.195 175 P CA 0.182 63.188 63.100 -0.156 0.000 0.768 175 P CB 0.277 31.934 31.700 -0.073 0.000 0.838 176 H N 1.633 120.678 119.070 -0.042 0.000 2.852 176 H HA 0.085 4.642 4.556 0.001 0.000 0.362 176 H C 0.762 176.075 175.328 -0.025 0.000 1.122 176 H CA 0.380 56.408 56.048 -0.032 0.000 1.419 176 H CB 0.499 30.236 29.762 -0.041 0.000 1.401 176 H HN 0.329 8.609 8.280 -0.000 0.000 0.609 177 K N 1.976 122.446 120.400 0.116 0.000 2.414 177 K HA 0.036 4.357 4.320 0.001 0.000 0.272 177 K C 0.216 176.850 176.600 0.057 0.000 0.993 177 K CA -0.438 55.886 56.287 0.061 0.000 0.964 177 K CB 0.432 32.958 32.500 0.044 0.000 0.925 177 K HN 0.286 8.536 8.250 -0.000 0.000 0.487 178 L N 0.241 121.483 121.223 0.032 0.000 2.467 178 L HA 0.273 4.613 4.340 0.001 0.000 0.270 178 L C -0.243 176.632 176.870 0.008 0.000 1.205 178 L CA 0.033 54.889 54.840 0.028 0.000 0.828 178 L CB 0.282 42.350 42.059 0.016 0.000 1.101 178 L HN 0.327 8.557 8.230 -0.000 0.000 0.479 179 R N 2.520 123.031 120.500 0.019 0.000 2.637 179 R HA 0.712 5.052 4.340 0.001 0.000 0.291 179 R C -0.989 175.189 176.300 -0.204 0.000 0.963 179 R CA -0.580 55.463 56.100 -0.096 0.000 0.901 179 R CB 1.551 31.817 30.300 -0.056 0.000 1.160 179 R HN 0.710 8.980 8.270 -0.000 0.000 0.457 180 L N 3.575 124.561 121.223 -0.396 0.000 2.312 180 L HA 0.457 4.797 4.340 0.001 0.000 0.281 180 L C -0.804 175.584 176.870 -0.804 0.000 1.070 180 L CA -0.468 54.135 54.840 -0.396 0.000 0.805 180 L CB 0.562 42.463 42.059 -0.264 0.000 1.174 180 L HN 0.508 8.738 8.230 -0.000 0.000 0.434 181 Y N 0.409 120.606 120.300 -0.171 0.000 2.406 181 Y HA 0.272 4.823 4.550 0.001 0.000 0.340 181 Y C 0.322 176.105 175.900 -0.196 0.000 0.975 181 Y CA -0.717 57.263 58.100 -0.200 0.000 1.056 181 Y CB 2.128 40.507 38.460 -0.136 0.000 1.210 181 Y HN 0.469 8.749 8.280 -0.000 0.000 0.448 182 S N 3.676 119.311 115.700 -0.108 0.000 2.549 182 S HA 0.327 4.797 4.470 0.001 0.000 0.283 182 S C 0.059 174.588 174.600 -0.118 0.000 1.320 182 S CA -0.519 57.604 58.200 -0.128 0.000 1.058 182 S CB 0.161 63.270 63.200 -0.151 0.000 0.882 182 S HN 0.437 8.747 8.310 -0.000 0.000 0.498 183 I N 2.425 122.900 120.570 -0.158 0.000 2.533 183 I HA 0.105 4.276 4.170 0.001 0.000 0.284 183 I C 1.135 177.136 176.117 -0.193 0.000 1.109 183 I CA -0.164 61.010 61.300 -0.210 0.000 1.412 183 I CB 0.800 38.616 38.000 -0.308 0.000 1.396 183 I HN 0.822 9.032 8.210 -0.000 0.000 0.543 184 A N 4.687 127.388 122.820 -0.199 0.000 2.238 184 A HA 0.129 4.450 4.320 0.001 0.000 0.210 184 A C 0.907 178.318 177.584 -0.288 0.000 1.179 184 A CA 0.137 52.046 52.037 -0.214 0.000 0.827 184 A CB -0.138 18.781 19.000 -0.136 0.000 0.856 184 A HN 0.704 8.854 8.150 -0.000 0.000 0.488 185 S N -0.324 115.239 115.700 -0.228 0.000 2.638 185 S HA 0.547 5.017 4.470 0.001 0.000 0.298 185 S C 0.323 174.895 174.600 -0.047 0.000 1.111 185 S CA 0.091 58.143 58.200 -0.246 0.000 1.027 185 S CB 0.940 64.061 63.200 -0.132 0.000 1.064 185 S HN 0.574 8.884 8.310 -0.000 0.000 0.525 186 T N -1.091 113.421 114.554 -0.069 0.000 2.701 186 T HA 0.190 4.541 4.350 0.001 0.000 0.303 186 T C 1.543 176.220 174.700 -0.038 0.000 1.030 186 T CA -0.347 61.761 62.100 0.013 0.000 1.010 186 T CB 0.187 69.116 68.868 0.101 0.000 1.007 186 T HN 0.879 9.119 8.240 -0.000 0.000 0.532 187 R N 0.373 120.661 120.500 -0.353 0.000 2.139 187 R HA -0.182 4.159 4.340 0.001 0.000 0.243 187 R C 1.623 177.508 176.300 -0.692 0.000 1.145 187 R CA 1.796 57.388 56.100 -0.847 0.000 0.976 187 R CB -0.928 28.908 30.300 -0.773 0.000 0.866 187 R HN 0.758 9.028 8.270 -0.000 0.000 0.449 188 H N 0.583 119.567 119.070 -0.143 0.000 2.548 188 H HA 0.220 4.777 4.556 0.001 0.000 0.268 188 H C 1.189 176.531 175.328 0.023 0.000 0.975 188 H CA 0.870 56.891 56.048 -0.046 0.000 1.195 188 H CB 0.038 29.820 29.762 0.032 0.000 1.397 188 H HN 0.531 8.811 8.280 -0.000 0.000 0.572 189 G N 1.185 110.070 108.800 0.142 0.000 2.781 189 G HA2 -0.247 3.713 3.960 0.001 0.000 0.683 189 G HA3 -0.247 3.713 3.960 0.001 0.000 0.683 189 G C 0.001 174.960 174.900 0.098 0.000 1.390 189 G CA -0.040 45.143 45.100 0.138 0.000 0.850 189 G HN 0.221 8.511 8.290 -0.000 0.000 0.557 190 D N 0.129 120.545 120.400 0.026 0.000 2.264 190 D HA 0.005 4.646 4.640 0.001 0.000 0.208 190 D C 2.500 178.921 176.300 0.202 0.000 0.966 190 D CA 1.311 55.328 54.000 0.029 0.000 0.864 190 D CB -0.009 40.805 40.800 0.024 0.000 0.933 190 D HN 0.324 8.694 8.370 -0.000 0.000 0.499 191 M N 0.186 119.878 119.600 0.152 0.000 2.561 191 M HA 0.042 4.523 4.480 0.001 0.000 0.238 191 M C -0.022 176.360 176.300 0.136 0.000 1.131 191 M CA 0.250 55.633 55.300 0.139 0.000 1.046 191 M CB 0.122 32.783 32.600 0.102 0.000 1.532 191 M HN -0.219 8.071 8.290 -0.000 0.000 0.497 192 E N 0.805 121.108 120.200 0.171 0.000 2.586 192 E HA -0.225 4.125 4.350 0.001 0.000 0.259 192 E C -0.398 176.242 176.600 0.067 0.000 1.107 192 E CA 1.260 57.741 56.400 0.135 0.000 0.754 192 E CB -1.887 27.867 29.700 0.090 0.000 1.335 192 E HN 0.755 9.115 8.360 -0.000 0.000 0.411 193 D N -1.070 119.384 120.400 0.090 0.000 2.563 193 D HA 0.085 4.726 4.640 0.001 0.000 0.237 193 D C 0.287 176.634 176.300 0.078 0.000 1.282 193 D CA -0.394 53.643 54.000 0.063 0.000 0.816 193 D CB 0.017 40.850 40.800 0.055 0.000 1.066 193 D HN -0.012 8.358 8.370 -0.000 0.000 0.501 194 N N 0.716 119.485 118.700 0.115 0.000 2.713 194 N HA -0.200 4.541 4.740 0.001 0.000 0.251 194 N C 0.465 176.012 175.510 0.062 0.000 1.117 194 N CA 0.911 54.012 53.050 0.084 0.000 0.770 194 N CB -1.185 37.347 38.487 0.074 0.000 1.137 194 N HN 0.487 8.867 8.380 -0.000 0.000 0.566 195 K N -0.455 119.992 120.400 0.080 0.000 2.355 195 K HA 0.098 4.418 4.320 0.001 0.000 0.198 195 K C 0.801 177.459 176.600 0.097 0.000 1.039 195 K CA 0.846 57.178 56.287 0.075 0.000 1.075 195 K CB 0.790 33.332 32.500 0.070 0.000 0.870 195 K HN 0.463 8.713 8.250 -0.000 0.000 0.540 196 T N -3.008 111.620 114.554 0.123 0.000 2.865 196 T HA 0.568 4.919 4.350 0.001 0.000 0.294 196 T C -1.128 173.681 174.700 0.182 0.000 1.119 196 T CA -0.799 61.383 62.100 0.136 0.000 1.007 196 T CB 2.057 70.987 68.868 0.102 0.000 1.225 196 T HN -0.165 8.075 8.240 -0.000 0.000 0.515 197 V N 0.430 120.419 119.914 0.125 0.000 2.925 197 V HA 0.792 4.913 4.120 0.001 0.000 0.311 197 V C -1.099 174.966 176.094 -0.048 0.000 1.104 197 V CA -0.342 61.967 62.300 0.014 0.000 0.954 197 V CB 2.374 34.112 31.823 -0.142 0.000 1.022 197 V HN 1.235 9.425 8.190 -0.000 0.000 0.427 198 S N 5.609 121.211 115.700 -0.163 0.000 2.568 198 S HA 0.830 5.301 4.470 0.001 0.000 0.293 198 S C -1.045 173.363 174.600 -0.320 0.000 1.089 198 S CA -0.579 57.434 58.200 -0.311 0.000 0.945 198 S CB 1.733 64.725 63.200 -0.346 0.000 1.077 198 S HN 0.663 8.973 8.310 -0.000 0.000 0.485 199 L N 0.754 121.727 121.223 -0.417 0.000 2.309 199 L HA 0.680 5.020 4.340 0.001 0.000 0.261 199 L C -0.887 175.800 176.870 -0.305 0.000 1.021 199 L CA -0.823 53.848 54.840 -0.282 0.000 0.823 199 L CB 1.944 43.881 42.059 -0.202 0.000 1.366 199 L HN 0.696 8.926 8.230 -0.000 0.000 0.423 200 C N 2.445 121.686 119.300 -0.099 0.000 2.335 200 C HA 0.703 5.164 4.460 0.001 0.000 0.318 200 C C -0.468 174.533 174.990 0.018 0.000 1.150 200 C CA -0.348 58.683 59.018 0.022 0.000 1.466 200 C CB -0.027 27.831 27.740 0.197 0.000 2.024 200 C HN 0.481 8.711 8.230 -0.000 0.000 0.429 201 V N 7.071 126.950 119.914 -0.057 0.000 2.384 201 V HA 0.526 4.646 4.120 0.001 0.000 0.287 201 V C 0.190 176.292 176.094 0.013 0.000 1.020 201 V CA -0.478 61.794 62.300 -0.046 0.000 0.850 201 V CB 1.391 33.079 31.823 -0.225 0.000 0.987 201 V HN 0.804 8.994 8.190 -0.000 0.000 0.436 202 R N 3.398 123.956 120.500 0.096 0.000 2.312 202 R HA 0.419 4.759 4.340 0.001 0.000 0.311 202 R C -0.077 176.290 176.300 0.112 0.000 1.004 202 R CA -0.563 55.600 56.100 0.105 0.000 0.902 202 R CB 1.137 31.525 30.300 0.147 0.000 1.073 202 R HN 0.816 9.086 8.270 -0.000 0.000 0.457 203 Q N 4.036 123.893 119.800 0.095 0.000 2.293 203 Q HA 0.117 4.457 4.340 0.001 0.000 0.263 203 Q C -0.962 175.129 176.000 0.152 0.000 1.002 203 Q CA -0.507 55.367 55.803 0.118 0.000 0.910 203 Q CB 0.864 29.666 28.738 0.107 0.000 1.185 203 Q HN 0.432 8.702 8.270 -0.000 0.000 0.401 204 L N 4.511 125.836 121.223 0.169 0.000 2.319 204 L HA 0.357 4.697 4.340 0.001 0.000 0.280 204 L C -0.722 176.237 176.870 0.148 0.000 1.099 204 L CA 0.568 55.511 54.840 0.172 0.000 0.828 204 L CB 1.015 43.187 42.059 0.188 0.000 1.150 204 L HN 0.802 9.032 8.230 -0.000 0.000 0.442 205 E N 5.247 125.502 120.200 0.093 0.000 2.293 205 E HA 0.429 4.780 4.350 0.001 0.000 0.270 205 E C -1.959 174.654 176.600 0.022 0.000 0.879 205 E CA -0.449 55.886 56.400 -0.108 0.000 0.756 205 E CB 2.032 31.657 29.700 -0.125 0.000 1.208 205 E HN 0.557 8.917 8.360 -0.000 0.000 0.428 206 Y N -0.127 120.078 120.300 -0.158 0.000 2.670 206 Y HA 0.505 5.055 4.550 0.001 0.000 0.334 206 Y C -1.207 174.620 175.900 -0.122 0.000 1.185 206 Y CA -1.044 56.995 58.100 -0.102 0.000 1.053 206 Y CB 1.054 39.481 38.460 -0.054 0.000 1.298 206 Y HN 0.292 8.572 8.280 -0.000 0.000 0.459 207 Q N 1.415 121.280 119.800 0.108 0.000 2.333 207 Q HA 0.243 4.583 4.340 0.001 0.000 0.267 207 Q C -1.669 174.415 176.000 0.140 0.000 1.012 207 Q CA -0.969 54.850 55.803 0.027 0.000 0.824 207 Q CB 2.410 31.150 28.738 0.004 0.000 1.290 207 Q HN 0.787 9.057 8.270 -0.000 0.000 0.449 208 D N 2.989 123.442 120.400 0.088 0.000 2.458 208 D HA -0.003 4.637 4.640 0.001 0.000 0.243 208 D C -1.620 174.718 176.300 0.063 0.000 1.146 208 D CA -1.136 52.927 54.000 0.105 0.000 0.877 208 D CB 0.991 41.827 40.800 0.060 0.000 1.176 208 D HN 0.208 8.578 8.370 -0.000 0.000 0.461 209 P HA -0.029 4.391 4.420 -0.000 0.000 0.233 209 P C 0.423 177.739 177.300 0.026 0.000 1.167 209 P CA 0.625 63.746 63.100 0.035 0.000 0.770 209 P CB 0.292 32.008 31.700 0.027 0.000 0.837 210 E N -0.220 119.996 120.200 0.027 0.000 2.152 210 E HA -0.052 4.299 4.350 0.001 0.000 0.195 210 E C 1.847 178.457 176.600 0.017 0.000 0.934 210 E CA 0.764 57.176 56.400 0.020 0.000 0.869 210 E CB -0.147 29.564 29.700 0.019 0.000 0.842 210 E HN 0.116 8.476 8.360 -0.000 0.000 0.472 211 S N -0.759 114.952 115.700 0.018 0.000 2.461 211 S HA 0.144 4.615 4.470 0.001 0.000 0.228 211 S C 1.752 176.357 174.600 0.008 0.000 1.005 211 S CA 0.822 59.029 58.200 0.012 0.000 0.942 211 S CB 0.249 63.455 63.200 0.010 0.000 0.776 211 S HN 0.599 8.909 8.310 -0.000 0.000 0.514 212 G N 1.838 110.644 108.800 0.010 0.000 2.205 212 G HA2 -0.340 3.620 3.960 0.001 0.000 0.261 212 G HA3 -0.340 3.620 3.960 0.001 0.000 0.261 212 G C -0.063 174.829 174.900 -0.012 0.000 0.980 212 G CA 0.329 45.431 45.100 0.004 0.000 0.632 212 G HN 0.987 9.277 8.290 -0.000 0.000 0.533 213 E N 0.814 121.002 120.200 -0.019 0.000 2.418 213 E HA 0.443 4.794 4.350 0.001 0.000 0.261 213 E C -0.240 176.298 176.600 -0.103 0.000 1.070 213 E CA 0.324 56.697 56.400 -0.043 0.000 0.931 213 E CB 0.423 30.102 29.700 -0.036 0.000 0.954 213 E HN 0.113 8.473 8.360 -0.000 0.000 0.439 214 T N 2.023 116.493 114.554 -0.140 0.000 2.845 214 T HA 0.365 4.715 4.350 0.001 0.000 0.288 214 T C -0.455 173.994 174.700 -0.417 0.000 0.980 214 T CA -0.681 61.243 62.100 -0.295 0.000 1.071 214 T CB 1.119 69.826 68.868 -0.269 0.000 0.941 214 T HN 0.350 8.590 8.240 -0.000 0.000 0.487 215 V N 3.493 122.991 119.914 -0.693 0.000 2.604 215 V HA 0.456 4.576 4.120 0.001 0.000 0.305 215 V C -1.241 174.347 176.094 -0.844 0.000 1.043 215 V CA -1.022 60.861 62.300 -0.695 0.000 0.888 215 V CB 1.413 32.670 31.823 -0.944 0.000 0.995 215 V HN 0.783 8.973 8.190 -0.000 0.000 0.429 216 Y N 1.471 121.643 120.300 -0.214 0.000 2.360 216 Y HA 0.638 5.189 4.550 0.001 0.000 0.337 216 Y C 1.043 176.914 175.900 -0.049 0.000 1.039 216 Y CA -0.431 57.605 58.100 -0.106 0.000 1.109 216 Y CB 1.652 40.078 38.460 -0.056 0.000 1.201 216 Y HN 0.789 9.069 8.280 -0.000 0.000 0.458 217 G N 1.551 110.438 108.800 0.145 0.000 2.353 217 G HA2 0.201 4.161 3.960 0.001 0.000 0.239 217 G HA3 0.201 4.161 3.960 0.001 0.000 0.239 217 G C 0.777 175.747 174.900 0.118 0.000 1.295 217 G CA -0.385 44.802 45.100 0.145 0.000 0.884 217 G HN 0.643 8.933 8.290 -0.000 0.000 0.537 218 V N 2.156 122.109 119.914 0.065 0.000 2.237 218 V HA -0.225 3.896 4.120 0.001 0.000 0.245 218 V C 2.907 179.026 176.094 0.041 0.000 1.046 218 V CA 2.124 64.422 62.300 -0.003 0.000 1.007 218 V CB -0.886 30.846 31.823 -0.150 0.000 0.638 218 V HN 0.888 9.078 8.190 -0.000 0.000 0.445 219 C N 0.812 120.157 119.300 0.074 0.000 2.466 219 C HA -0.092 4.368 4.460 0.001 0.000 0.278 219 C C 3.365 178.469 174.990 0.190 0.000 1.288 219 C CA 1.256 60.374 59.018 0.168 0.000 1.722 219 C CB -1.032 26.843 27.740 0.225 0.000 2.017 219 C HN 0.786 9.016 8.230 -0.000 0.000 0.488 220 S N -0.418 115.388 115.700 0.177 0.000 2.399 220 S HA -0.159 4.311 4.470 0.001 0.000 0.231 220 S C 1.579 176.211 174.600 0.053 0.000 1.022 220 S CA 2.118 60.383 58.200 0.108 0.000 0.983 220 S CB -0.967 62.329 63.200 0.161 0.000 0.803 220 S HN 0.676 8.986 8.310 -0.000 0.000 0.480 221 T N 1.139 115.744 114.554 0.085 0.000 2.777 221 T HA -0.042 4.309 4.350 0.001 0.000 0.266 221 T C 1.446 176.169 174.700 0.039 0.000 1.040 221 T CA 1.367 63.493 62.100 0.043 0.000 1.141 221 T CB -0.620 68.281 68.868 0.055 0.000 0.868 221 T HN 0.570 8.810 8.240 -0.000 0.000 0.444 222 Y N 2.026 122.301 120.300 -0.043 0.000 2.128 222 Y HA -0.130 4.420 4.550 0.001 0.000 0.284 222 Y C 1.897 177.765 175.900 -0.053 0.000 1.154 222 Y CA 1.174 59.245 58.100 -0.048 0.000 1.149 222 Y CB -0.676 37.756 38.460 -0.047 0.000 0.976 222 Y HN 0.138 8.418 8.280 -0.000 0.000 0.505 223 L N -1.338 119.705 121.223 -0.300 0.000 2.072 223 L HA -0.217 4.124 4.340 0.001 0.000 0.205 223 L C 2.610 179.307 176.870 -0.289 0.000 1.079 223 L CA 1.180 55.775 54.840 -0.410 0.000 0.752 223 L CB -0.855 41.006 42.059 -0.331 0.000 0.906 223 L HN 0.280 8.510 8.230 -0.000 0.000 0.436 224 C N 0.121 119.311 119.300 -0.183 0.000 2.419 224 C HA -0.094 4.367 4.460 0.001 0.000 0.281 224 C C 1.997 176.904 174.990 -0.138 0.000 1.336 224 C CA 0.553 59.485 59.018 -0.143 0.000 1.770 224 C CB -1.092 26.596 27.740 -0.086 0.000 1.929 224 C HN 0.541 8.771 8.230 -0.000 0.000 0.509 225 N N 0.621 119.236 118.700 -0.141 0.000 2.235 225 N HA 0.150 4.890 4.740 0.001 0.000 0.209 225 N C -0.191 175.237 175.510 -0.138 0.000 1.122 225 N CA -0.018 52.962 53.050 -0.116 0.000 0.845 225 N CB 0.035 38.472 38.487 -0.084 0.000 1.004 225 N HN 0.370 8.750 8.380 -0.000 0.000 0.499 226 L N 3.071 124.164 121.223 -0.215 0.000 2.456 226 L HA 0.280 4.621 4.340 0.001 0.000 0.277 226 L C -2.294 174.490 176.870 -0.144 0.000 1.124 226 L CA -1.473 53.227 54.840 -0.233 0.000 0.880 226 L CB 0.238 42.084 42.059 -0.354 0.000 1.192 226 L HN -0.097 8.133 8.230 -0.000 0.000 0.463 227 P HA 0.073 4.493 4.420 -0.000 0.000 0.271 227 P C -0.632 176.633 177.300 -0.058 0.000 1.218 227 P CA -0.333 62.730 63.100 -0.061 0.000 0.780 227 P CB 0.599 32.278 31.700 -0.034 0.000 0.901 228 V N 2.592 122.476 119.914 -0.050 0.000 2.673 228 V HA 0.279 4.400 4.120 0.001 0.000 0.303 228 V C 1.681 177.764 176.094 -0.019 0.000 1.046 228 V CA 2.104 64.380 62.300 -0.040 0.000 1.126 228 V CB -0.203 31.604 31.823 -0.026 0.000 0.934 228 V HN 1.047 9.237 8.190 -0.000 0.000 0.487 229 G N 3.756 112.551 108.800 -0.007 0.000 2.254 229 G HA2 -0.229 3.731 3.960 0.001 0.000 0.225 229 G HA3 -0.229 3.731 3.960 0.001 0.000 0.225 229 G C 0.376 175.283 174.900 0.011 0.000 1.003 229 G CA 0.006 45.109 45.100 0.004 0.000 0.622 229 G HN 0.763 9.053 8.290 -0.000 0.000 0.507 230 T N 2.416 116.977 114.554 0.011 0.000 2.867 230 T HA 0.436 4.786 4.350 0.001 0.000 0.297 230 T C 0.112 174.835 174.700 0.038 0.000 0.989 230 T CA 0.480 62.594 62.100 0.023 0.000 1.159 230 T CB 1.627 70.508 68.868 0.022 0.000 0.928 230 T HN 0.329 8.569 8.240 -0.000 0.000 0.538 231 D N 1.104 121.516 120.400 0.020 0.000 2.529 231 D HA 0.202 4.843 4.640 0.001 0.000 0.273 231 D C 0.626 176.915 176.300 -0.019 0.000 1.197 231 D CA -0.273 53.725 54.000 -0.003 0.000 1.070 231 D CB 0.882 41.670 40.800 -0.020 0.000 1.134 231 D HN 0.618 8.988 8.370 -0.000 0.000 0.590 232 D N -0.245 120.107 120.400 -0.080 0.000 2.981 232 D HA -0.158 4.483 4.640 0.001 0.000 0.223 232 D C -1.106 175.143 176.300 -0.085 0.000 1.151 232 D CA 0.280 54.220 54.000 -0.100 0.000 0.827 232 D CB -1.140 39.627 40.800 -0.056 0.000 1.101 232 D HN 0.023 8.393 8.370 -0.000 0.000 0.426 233 V N 1.250 121.097 119.914 -0.112 0.000 2.455 233 V HA 0.162 4.282 4.120 0.001 0.000 0.273 233 V C 1.090 177.056 176.094 -0.212 0.000 1.045 233 V CA -0.114 62.121 62.300 -0.110 0.000 0.976 233 V CB 1.323 33.030 31.823 -0.192 0.000 0.993 233 V HN 0.031 8.221 8.190 -0.000 0.000 0.475 234 K N 6.066 126.382 120.400 -0.141 0.000 2.284 234 K HA 0.543 4.864 4.320 0.001 0.000 0.287 234 K C -0.710 175.805 176.600 -0.141 0.000 1.081 234 K CA 0.087 56.288 56.287 -0.144 0.000 0.910 234 K CB 0.643 33.088 32.500 -0.092 0.000 1.088 234 K HN 0.555 8.805 8.250 -0.000 0.000 0.478 235 I N 2.411 122.887 120.570 -0.157 0.000 2.509 235 I HA 0.218 4.388 4.170 0.001 0.000 0.293 235 I C 0.198 176.289 176.117 -0.043 0.000 1.020 235 I CA -0.752 60.469 61.300 -0.132 0.000 1.088 235 I CB 2.223 40.123 38.000 -0.166 0.000 1.267 235 I HN 0.589 8.799 8.210 -0.000 0.000 0.430 236 T N 1.634 116.191 114.554 0.005 0.000 2.885 236 T HA 0.625 4.976 4.350 0.001 0.000 0.285 236 T C 0.285 175.044 174.700 0.099 0.000 1.019 236 T CA -0.759 61.392 62.100 0.085 0.000 1.010 236 T CB 1.719 70.625 68.868 0.062 0.000 1.022 236 T HN 0.710 8.950 8.240 -0.000 0.000 0.466 237 G N 2.846 111.752 108.800 0.175 0.000 2.690 237 G HA2 0.447 4.408 3.960 0.001 0.000 0.239 237 G HA3 0.447 4.408 3.960 0.001 0.000 0.239 237 G C -2.331 172.617 174.900 0.079 0.000 1.233 237 G CA -1.062 44.140 45.100 0.171 0.000 0.847 237 G HN 0.757 9.047 8.290 -0.000 0.000 0.588 238 P HA 0.276 4.696 4.420 -0.000 0.000 0.272 238 P C -0.164 177.151 177.300 0.025 0.000 1.223 238 P CA -0.082 63.042 63.100 0.040 0.000 0.784 238 P CB 1.357 33.106 31.700 0.081 0.000 0.923 239 V N -2.309 117.610 119.914 0.009 0.000 3.007 239 V HA 0.977 5.098 4.120 0.001 0.000 0.311 239 V C -0.227 175.871 176.094 0.007 0.000 1.120 239 V CA -0.407 61.897 62.300 0.006 0.000 0.980 239 V CB 1.223 33.043 31.823 -0.004 0.000 1.033 239 V HN 1.034 9.224 8.190 -0.000 0.000 0.429 240 G N 2.308 111.117 108.800 0.014 0.000 2.906 240 G HA2 0.027 3.987 3.960 0.001 0.000 0.686 240 G HA3 0.027 3.987 3.960 0.001 0.000 0.686 240 G C -0.590 174.333 174.900 0.038 0.000 1.170 240 G CA -0.096 45.020 45.100 0.026 0.000 0.775 240 G HN 1.117 9.407 8.290 -0.000 0.000 0.630 241 K N 0.572 121.001 120.400 0.050 0.000 2.521 241 K HA 0.191 4.512 4.320 0.001 0.000 0.213 241 K C 1.440 178.102 176.600 0.104 0.000 1.223 241 K CA 0.230 56.553 56.287 0.060 0.000 1.013 241 K CB 1.362 33.883 32.500 0.035 0.000 1.017 241 K HN 0.489 8.739 8.250 -0.000 0.000 0.591 242 E N 0.816 121.087 120.200 0.119 0.000 2.216 242 E HA 0.043 4.393 4.350 0.001 0.000 0.192 242 E C 1.091 177.860 176.600 0.281 0.000 0.988 242 E CA 0.793 57.307 56.400 0.189 0.000 0.834 242 E CB 0.374 30.158 29.700 0.140 0.000 0.772 242 E HN 0.068 8.428 8.360 -0.000 0.000 0.479 243 M N 1.041 120.774 119.600 0.222 0.000 2.475 243 M HA 0.217 4.698 4.480 0.001 0.000 0.283 243 M C -0.211 176.319 176.300 0.383 0.000 1.165 243 M CA 0.009 55.500 55.300 0.318 0.000 0.976 243 M CB -0.035 32.685 32.600 0.200 0.000 1.428 243 M HN 0.001 8.291 8.290 -0.000 0.000 0.495 244 L N 0.769 122.126 121.223 0.224 0.000 2.467 244 L HA 0.127 4.468 4.340 0.001 0.000 0.270 244 L C 0.340 177.200 176.870 -0.018 0.000 1.205 244 L CA -0.554 54.354 54.840 0.114 0.000 0.828 244 L CB 0.173 42.262 42.059 0.049 0.000 1.101 244 L HN 0.063 8.293 8.230 -0.000 0.000 0.479 245 L N 4.352 125.388 121.223 -0.312 0.000 2.397 245 L HA 0.325 4.666 4.340 0.001 0.000 0.271 245 L C -1.922 174.764 176.870 -0.307 0.000 1.148 245 L CA -1.116 53.349 54.840 -0.624 0.000 0.825 245 L CB 0.126 41.670 42.059 -0.858 0.000 1.117 245 L HN 0.350 8.580 8.230 -0.000 0.000 0.456 246 P HA 0.140 4.560 4.420 -0.000 0.000 0.272 246 P C -0.341 176.938 177.300 -0.035 0.000 1.230 246 P CA -0.249 62.748 63.100 -0.171 0.000 0.788 246 P CB 0.634 32.108 31.700 -0.375 0.000 0.949 247 D N -0.577 119.844 120.400 0.036 0.000 2.149 247 D HA -0.104 4.536 4.640 0.001 0.000 0.201 247 D C 0.280 176.653 176.300 0.121 0.000 0.972 247 D CA 1.061 55.113 54.000 0.087 0.000 0.835 247 D CB -0.292 40.551 40.800 0.071 0.000 0.966 247 D HN 0.459 8.829 8.370 -0.000 0.000 0.476 248 D N 1.867 122.328 120.400 0.101 0.000 2.660 248 D HA -0.108 4.532 4.640 0.001 0.000 0.253 248 D C 0.879 177.230 176.300 0.085 0.000 1.256 248 D CA 0.364 54.418 54.000 0.089 0.000 0.914 248 D CB 0.351 41.226 40.800 0.125 0.000 1.137 248 D HN 0.195 8.565 8.370 -0.000 0.000 0.542 249 E N 2.286 122.478 120.200 -0.013 0.000 2.333 249 E HA -0.193 4.158 4.350 0.001 0.000 0.198 249 E C 0.683 177.168 176.600 -0.193 0.000 1.007 249 E CA 0.625 56.934 56.400 -0.153 0.000 0.845 249 E CB 0.207 29.706 29.700 -0.334 0.000 0.766 249 E HN 0.442 8.802 8.360 -0.000 0.000 0.507 250 D N -0.044 120.290 120.400 -0.109 0.000 2.369 250 D HA 0.123 4.763 4.640 0.001 0.000 0.211 250 D C -0.113 176.177 176.300 -0.016 0.000 1.077 250 D CA -0.080 53.840 54.000 -0.133 0.000 0.842 250 D CB 0.286 41.044 40.800 -0.070 0.000 0.947 250 D HN 0.095 8.465 8.370 -0.000 0.000 0.509 251 A N -0.170 122.718 122.820 0.114 0.000 2.520 251 A HA 0.300 4.620 4.320 0.001 0.000 0.235 251 A C 0.485 178.257 177.584 0.312 0.000 1.065 251 A CA 0.218 52.403 52.037 0.247 0.000 0.764 251 A CB 0.203 19.366 19.000 0.272 0.000 1.002 251 A HN 0.200 8.350 8.150 -0.000 0.000 0.502 252 T N 2.107 116.852 114.554 0.319 0.000 2.771 252 T HA 0.466 4.817 4.350 0.001 0.000 0.291 252 T C -0.288 174.653 174.700 0.401 0.000 0.954 252 T CA -0.164 62.146 62.100 0.349 0.000 1.045 252 T CB 0.673 69.713 68.868 0.286 0.000 0.917 252 T HN 0.429 8.669 8.240 -0.000 0.000 0.484 253 V N 4.760 124.909 119.914 0.392 0.000 2.378 253 V HA 0.410 4.530 4.120 0.001 0.000 0.288 253 V C -0.162 176.109 176.094 0.295 0.000 1.016 253 V CA -0.787 61.713 62.300 0.333 0.000 0.840 253 V CB 1.632 33.537 31.823 0.137 0.000 0.994 253 V HN 0.681 8.871 8.190 -0.000 0.000 0.431 254 V N 6.529 126.618 119.914 0.292 0.000 2.417 254 V HA 0.573 4.693 4.120 0.001 0.000 0.291 254 V C -0.148 175.946 176.094 -0.000 0.000 1.024 254 V CA -0.406 61.972 62.300 0.131 0.000 0.861 254 V CB 1.612 33.501 31.823 0.110 0.000 0.985 254 V HN 0.878 9.068 8.190 -0.000 0.000 0.436 255 M N 6.271 125.704 119.600 -0.279 0.000 2.142 255 M HA 0.562 5.043 4.480 0.001 0.000 0.299 255 M C -1.184 174.782 176.300 -0.557 0.000 0.960 255 M CA -0.162 54.715 55.300 -0.705 0.000 0.920 255 M CB 1.947 33.666 32.600 -1.468 0.000 1.541 255 M HN 0.378 8.668 8.290 -0.000 0.000 0.429 256 L N 3.105 124.147 121.223 -0.301 0.000 2.282 256 L HA 0.948 5.289 4.340 0.001 0.000 0.288 256 L C -0.190 176.759 176.870 0.133 0.000 1.033 256 L CA -0.660 54.130 54.840 -0.084 0.000 0.807 256 L CB 1.357 43.411 42.059 -0.009 0.000 1.209 256 L HN 0.814 9.044 8.230 -0.000 0.000 0.423 257 A N 1.950 124.884 122.820 0.190 0.000 2.455 257 A HA 0.817 5.137 4.320 0.001 0.000 0.300 257 A C -0.392 177.429 177.584 0.394 0.000 1.040 257 A CA -0.516 51.720 52.037 0.332 0.000 0.697 257 A CB 1.859 21.047 19.000 0.313 0.000 1.265 257 A HN 0.641 8.791 8.150 -0.000 0.000 0.407 258 T N -0.259 114.479 114.554 0.307 0.000 2.863 258 T HA 0.740 5.090 4.350 0.001 0.000 0.285 258 T C 0.853 175.735 174.700 0.303 0.000 1.009 258 T CA 0.315 62.587 62.100 0.287 0.000 0.989 258 T CB 1.239 70.189 68.868 0.137 0.000 1.004 258 T HN 2.588 10.828 8.240 -0.000 0.000 0.455 259 G N 2.888 111.897 108.800 0.348 0.000 2.651 259 G HA2 -0.400 3.561 3.960 0.001 0.000 0.315 259 G HA3 -0.400 3.561 3.960 0.001 0.000 0.315 259 G C 1.199 176.311 174.900 0.353 0.000 1.258 259 G CA 1.580 46.864 45.100 0.306 0.000 1.002 259 G HN 1.992 10.282 8.290 -0.000 0.000 0.551 260 T N -0.684 114.037 114.554 0.277 0.000 3.098 260 T HA 0.268 4.619 4.350 0.001 0.000 0.266 260 T C 2.300 177.136 174.700 0.226 0.000 1.145 260 T CA 1.461 63.720 62.100 0.266 0.000 1.092 260 T CB -0.356 68.675 68.868 0.272 0.000 0.908 260 T HN 1.708 9.948 8.240 -0.000 0.000 0.526 261 G N 1.193 110.115 108.800 0.202 0.000 2.559 261 G HA2 -0.042 3.918 3.960 0.001 0.000 0.216 261 G HA3 -0.042 3.918 3.960 0.001 0.000 0.216 261 G C 1.226 176.067 174.900 -0.098 0.000 1.126 261 G CA 0.350 45.489 45.100 0.065 0.000 0.778 261 G HN 0.532 8.822 8.290 -0.000 0.000 0.543 262 I N 1.464 122.033 120.570 -0.002 0.000 2.567 262 I HA 0.014 4.184 4.170 0.001 0.000 0.257 262 I C 2.814 178.849 176.117 -0.138 0.000 1.184 262 I CA 0.665 61.895 61.300 -0.117 0.000 1.451 262 I CB -0.258 37.631 38.000 -0.185 0.000 1.089 262 I HN 0.179 8.389 8.210 -0.000 0.000 0.441 263 A N 2.015 124.761 122.820 -0.122 0.000 1.859 263 A HA -0.155 4.166 4.320 0.001 0.000 0.217 263 A C 0.118 177.497 177.584 -0.341 0.000 1.198 263 A CA 2.319 54.269 52.037 -0.145 0.000 0.629 263 A CB -2.366 16.588 19.000 -0.076 0.000 0.830 263 A HN 0.426 8.576 8.150 -0.000 0.000 0.446 264 P HA -0.120 4.300 4.420 -0.000 0.000 0.220 264 P C 1.172 177.950 177.300 -0.871 0.000 1.148 264 P CA 1.020 63.692 63.100 -0.714 0.000 0.803 264 P CB -0.300 30.866 31.700 -0.891 0.000 0.782 265 F N 0.088 119.690 119.950 -0.581 0.000 2.367 265 F HA 0.050 4.577 4.527 0.001 0.000 0.298 265 F C 2.986 178.725 175.800 -0.102 0.000 1.094 265 F CA 0.078 57.789 58.000 -0.482 0.000 1.409 265 F CB -0.557 38.233 39.000 -0.351 0.000 1.064 265 F HN -0.180 8.120 8.300 -0.000 0.000 0.528 266 R N 1.326 121.877 120.500 0.085 0.000 2.070 266 R HA -0.176 4.165 4.340 0.001 0.000 0.233 266 R C 2.441 178.736 176.300 -0.008 0.000 1.137 266 R CA 1.490 57.633 56.100 0.071 0.000 0.945 266 R CB -0.560 29.542 30.300 -0.330 0.000 0.845 266 R HN 0.230 8.500 8.270 -0.000 0.000 0.430 267 A N 0.718 123.460 122.820 -0.131 0.000 1.873 267 A HA -0.193 4.127 4.320 0.001 0.000 0.218 267 A C 2.170 179.860 177.584 0.177 0.000 1.193 267 A CA 1.638 53.646 52.037 -0.048 0.000 0.629 267 A CB -1.055 17.913 19.000 -0.054 0.000 0.826 267 A HN 0.484 8.634 8.150 -0.000 0.000 0.447 268 F N -0.345 119.569 119.950 -0.059 0.000 2.065 268 F HA -0.241 4.286 4.527 0.001 0.000 0.298 268 F C 2.307 178.043 175.800 -0.107 0.000 1.112 268 F CA 1.131 59.054 58.000 -0.128 0.000 1.212 268 F CB -0.341 38.569 39.000 -0.149 0.000 0.975 268 F HN 0.144 8.444 8.300 -0.000 0.000 0.476 269 L N -1.813 119.547 121.223 0.229 0.000 2.083 269 L HA -0.239 4.102 4.340 0.001 0.000 0.209 269 L C 2.224 179.215 176.870 0.202 0.000 1.083 269 L CA 1.139 56.062 54.840 0.139 0.000 0.752 269 L CB -0.614 41.564 42.059 0.199 0.000 0.899 269 L HN 0.239 8.469 8.230 -0.000 0.000 0.433 270 W N 0.342 121.654 121.300 0.020 0.000 2.355 270 W HA -0.156 4.504 4.660 0.001 0.000 0.309 270 W C 2.925 179.472 176.519 0.046 0.000 1.206 270 W CA 1.373 58.736 57.345 0.030 0.000 1.284 270 W CB -0.398 29.071 29.460 0.015 0.000 1.145 270 W HN 0.045 8.225 8.180 -0.000 0.000 0.502 271 R N -0.251 120.409 120.500 0.267 0.000 2.083 271 R HA -0.199 4.142 4.340 0.001 0.000 0.237 271 R C 2.150 178.521 176.300 0.119 0.000 1.137 271 R CA 2.139 58.338 56.100 0.166 0.000 0.951 271 R CB -0.527 29.719 30.300 -0.089 0.000 0.851 271 R HN 0.136 8.406 8.270 -0.000 0.000 0.434 272 M N -1.002 118.505 119.600 -0.156 0.000 2.077 272 M HA -0.106 4.375 4.480 0.001 0.000 0.261 272 M C 1.019 177.019 176.300 -0.501 0.000 1.070 272 M CA 1.733 56.724 55.300 -0.514 0.000 1.125 272 M CB 0.056 31.886 32.600 -1.283 0.000 1.339 272 M HN 0.140 8.430 8.290 -0.000 0.000 0.409 273 F N -1.686 118.292 119.950 0.046 0.000 2.767 273 F HA 0.236 4.764 4.527 0.001 0.000 0.323 273 F C 1.750 177.522 175.800 -0.047 0.000 1.091 273 F CA 0.023 58.035 58.000 0.022 0.000 1.192 273 F CB 0.162 39.145 39.000 -0.029 0.000 1.056 273 F HN -0.074 8.226 8.300 -0.000 0.000 0.571 274 K N 0.177 120.603 120.400 0.044 0.000 2.402 274 K HA 0.228 4.548 4.320 0.001 0.000 0.204 274 K C -0.061 176.461 176.600 -0.130 0.000 1.056 274 K CA 0.296 56.497 56.287 -0.144 0.000 1.069 274 K CB 0.710 32.925 32.500 -0.477 0.000 0.888 274 K HN 0.131 8.381 8.250 -0.000 0.000 0.546 275 E N 0.248 120.412 120.200 -0.060 0.000 2.336 275 E HA 0.257 4.608 4.350 0.001 0.000 0.267 275 E C -1.220 175.136 176.600 -0.407 0.000 0.906 275 E CA -0.856 55.436 56.400 -0.180 0.000 0.781 275 E CB 2.242 31.908 29.700 -0.058 0.000 1.261 275 E HN 0.037 8.397 8.360 -0.000 0.000 0.436 276 Q N 1.522 121.040 119.800 -0.469 0.000 2.333 276 Q HA 0.367 4.707 4.340 0.001 0.000 0.267 276 Q C -0.849 174.840 176.000 -0.518 0.000 1.012 276 Q CA -0.676 54.881 55.803 -0.410 0.000 0.824 276 Q CB 1.796 30.432 28.738 -0.169 0.000 1.290 276 Q HN 0.448 8.718 8.270 -0.000 0.000 0.449 277 H N 0.648 119.764 119.070 0.078 0.000 2.676 277 H HA 0.224 4.780 4.556 0.001 0.000 0.352 277 H C -0.026 175.341 175.328 0.065 0.000 1.193 277 H CA -0.618 55.483 56.048 0.088 0.000 1.243 277 H CB 1.480 31.337 29.762 0.158 0.000 1.751 277 H HN 0.689 8.969 8.280 -0.000 0.000 0.567 278 E N -0.052 120.255 120.200 0.178 0.000 2.371 278 E HA -0.049 4.301 4.350 0.001 0.000 0.194 278 E C 0.041 176.708 176.600 0.111 0.000 1.012 278 E CA 0.885 57.349 56.400 0.105 0.000 0.860 278 E CB 0.364 30.106 29.700 0.071 0.000 0.811 278 E HN 0.569 8.929 8.360 -0.000 0.000 0.502 279 D N -1.372 119.123 120.400 0.158 0.000 2.932 279 D HA 0.012 4.653 4.640 0.001 0.000 0.294 279 D C -0.325 176.068 176.300 0.154 0.000 1.119 279 D CA -0.112 53.962 54.000 0.125 0.000 0.980 279 D CB 0.226 41.088 40.800 0.103 0.000 1.361 279 D HN 0.001 8.371 8.370 -0.000 0.000 0.466 280 Y N 1.851 122.186 120.300 0.059 0.000 2.304 280 Y HA 0.398 4.949 4.550 0.001 0.000 0.327 280 Y C -0.406 175.571 175.900 0.129 0.000 1.209 280 Y CA -0.065 58.046 58.100 0.018 0.000 1.299 280 Y CB 0.734 39.104 38.460 -0.150 0.000 1.249 280 Y HN -0.344 7.936 8.280 -0.000 0.000 0.519 281 K N 6.552 126.703 120.400 -0.415 0.000 2.616 281 K HA 0.186 4.507 4.320 0.001 0.000 0.255 281 K C -2.072 174.269 176.600 -0.430 0.000 0.995 281 K CA -0.646 55.528 56.287 -0.187 0.000 0.860 281 K CB 0.704 33.172 32.500 -0.054 0.000 1.264 281 K HN 0.594 8.844 8.250 -0.000 0.000 0.451 282 F N 4.397 124.102 119.950 -0.408 0.000 2.495 282 F HA 0.239 4.766 4.527 0.001 0.000 0.365 282 F C 0.239 175.939 175.800 -0.166 0.000 1.090 282 F CA 0.455 58.254 58.000 -0.334 0.000 1.235 282 F CB 0.756 39.627 39.000 -0.215 0.000 1.119 282 F HN 0.513 8.813 8.300 -0.000 0.000 0.562 283 K N 4.519 124.456 120.400 -0.773 0.000 2.501 283 K HA 0.268 4.588 4.320 0.001 0.000 0.204 283 K C 0.728 176.906 176.600 -0.704 0.000 1.067 283 K CA -0.045 55.913 56.287 -0.549 0.000 1.060 283 K CB 0.929 33.257 32.500 -0.287 0.000 0.873 283 K HN 0.766 9.016 8.250 -0.000 0.000 0.540 284 G N 1.226 109.120 108.800 -1.510 0.000 2.509 284 G HA2 0.248 4.209 3.960 0.001 0.000 0.269 284 G HA3 0.248 4.209 3.960 0.001 0.000 0.269 284 G C -0.443 174.320 174.900 -0.227 0.000 1.416 284 G CA -0.407 44.214 45.100 -0.799 0.000 1.052 284 G HN -0.104 8.186 8.290 -0.000 0.000 0.542 285 K N -0.205 120.322 120.400 0.211 0.000 2.207 285 K HA 0.660 4.980 4.320 0.001 0.000 0.255 285 K C -0.727 176.229 176.600 0.593 0.000 0.941 285 K CA -0.511 56.005 56.287 0.381 0.000 0.825 285 K CB 2.044 34.682 32.500 0.230 0.000 1.119 285 K HN 0.560 8.810 8.250 -0.000 0.000 0.430 286 A N 2.306 125.496 122.820 0.618 0.000 2.374 286 A HA 0.589 4.910 4.320 0.001 0.000 0.305 286 A C -1.988 175.955 177.584 0.600 0.000 1.053 286 A CA -0.676 51.694 52.037 0.554 0.000 0.726 286 A CB 1.018 20.322 19.000 0.506 0.000 1.229 286 A HN 0.688 8.838 8.150 -0.000 0.000 0.431 287 W N 3.842 125.282 121.300 0.233 0.000 2.647 287 W HA 0.606 5.266 4.660 0.000 0.000 0.328 287 W C -2.411 174.130 176.519 0.038 0.000 1.018 287 W CA -1.549 55.861 57.345 0.108 0.000 1.245 287 W CB 1.528 31.009 29.460 0.035 0.000 1.356 287 W HN 0.593 8.773 8.180 -0.000 0.000 0.443 288 L N 7.856 129.258 121.223 0.299 0.000 2.296 288 L HA 0.663 5.004 4.340 0.001 0.000 0.286 288 L C -1.051 175.762 176.870 -0.096 0.000 1.023 288 L CA -0.585 54.235 54.840 -0.033 0.000 0.812 288 L CB 1.124 43.199 42.059 0.025 0.000 1.223 288 L HN 0.342 8.572 8.230 -0.000 0.000 0.421 289 I N 6.011 126.450 120.570 -0.217 0.000 2.411 289 I HA 0.340 4.511 4.170 0.001 0.000 0.284 289 I C -1.292 174.875 176.117 0.084 0.000 1.012 289 I CA -0.407 60.825 61.300 -0.113 0.000 1.119 289 I CB 1.359 39.189 38.000 -0.282 0.000 1.261 289 I HN 0.464 8.674 8.210 -0.000 0.000 0.448 290 F N 5.268 125.226 119.950 0.014 0.000 2.529 290 F HA 0.807 5.336 4.527 0.002 0.000 0.320 290 F C -0.099 175.792 175.800 0.150 0.000 1.118 290 F CA -1.483 56.575 58.000 0.098 0.000 0.915 290 F CB 2.003 41.084 39.000 0.136 0.000 1.161 290 F HN 0.332 8.632 8.300 -0.000 0.000 0.445 291 G N 4.977 113.883 108.800 0.176 0.000 2.544 291 G HA2 0.633 4.594 3.960 0.001 0.000 0.313 291 G HA3 0.633 4.594 3.960 0.001 0.000 0.313 291 G C -1.809 173.001 174.900 -0.150 0.000 1.316 291 G CA -0.632 44.472 45.100 0.006 0.000 0.944 291 G HN 1.118 9.408 8.290 -0.000 0.000 0.489 292 V N 0.240 120.019 119.914 -0.223 0.000 3.178 292 V HA 0.733 4.854 4.120 0.001 0.000 0.302 292 V C -2.383 173.599 176.094 -0.186 0.000 1.262 292 V CA -2.023 60.141 62.300 -0.228 0.000 1.030 292 V CB 2.312 33.895 31.823 -0.400 0.000 1.074 292 V HN 0.400 8.590 8.190 -0.000 0.000 0.438 293 P HA 0.137 4.557 4.420 -0.000 0.000 0.220 293 P C -0.344 176.643 177.300 -0.521 0.000 1.152 293 P CA 1.147 64.033 63.100 -0.356 0.000 0.812 293 P CB 0.040 31.491 31.700 -0.416 0.000 0.792 294 Y N -2.860 117.377 120.300 -0.105 0.000 2.562 294 Y HA 0.229 4.778 4.550 -0.000 0.000 0.345 294 Y C 1.855 177.669 175.900 -0.144 0.000 1.045 294 Y CA -0.808 57.230 58.100 -0.103 0.000 1.028 294 Y CB 0.884 39.302 38.460 -0.070 0.000 1.297 294 Y HN -0.457 7.823 8.280 -0.000 0.000 0.463 295 T N 0.636 115.218 114.554 0.047 0.000 2.699 295 T HA -0.281 4.070 4.350 0.001 0.000 0.268 295 T C 1.979 176.653 174.700 -0.043 0.000 1.036 295 T CA 2.062 64.121 62.100 -0.070 0.000 1.147 295 T CB -0.386 68.451 68.868 -0.052 0.000 0.862 295 T HN 0.787 9.027 8.240 -0.000 0.000 0.446 296 A N 1.420 124.240 122.820 -0.001 0.000 2.084 296 A HA -0.133 4.188 4.320 0.001 0.000 0.221 296 A C 1.965 179.552 177.584 0.005 0.000 1.161 296 A CA 1.702 53.731 52.037 -0.014 0.000 0.653 296 A CB -0.596 18.370 19.000 -0.056 0.000 0.802 296 A HN 0.535 8.685 8.150 -0.000 0.000 0.457 297 N N -0.941 117.771 118.700 0.021 0.000 2.280 297 N HA 0.244 4.985 4.740 0.001 0.000 0.192 297 N C -0.261 175.223 175.510 -0.043 0.000 1.109 297 N CA -0.081 52.979 53.050 0.016 0.000 0.855 297 N CB 0.093 38.617 38.487 0.061 0.000 0.974 297 N HN 0.441 8.821 8.380 -0.000 0.000 0.482 298 I N 2.270 122.797 120.570 -0.072 0.000 2.460 298 I HA -0.010 4.161 4.170 0.001 0.000 0.297 298 I C -0.120 176.128 176.117 0.218 0.000 1.139 298 I CA -0.058 61.222 61.300 -0.033 0.000 1.340 298 I CB -0.021 37.921 38.000 -0.096 0.000 1.444 298 I HN -0.030 8.180 8.210 -0.000 0.000 0.557 299 L N 7.983 129.435 121.223 0.382 0.000 2.462 299 L HA 0.004 4.345 4.340 0.001 0.000 0.272 299 L C 0.214 177.300 176.870 0.359 0.000 1.166 299 L CA -0.194 54.778 54.840 0.220 0.000 0.880 299 L CB -0.385 41.813 42.059 0.231 0.000 1.142 299 L HN 0.609 8.839 8.230 -0.000 0.000 0.473 300 Y N 0.750 121.215 120.300 0.274 0.000 4.177 300 Y HA -0.343 4.208 4.550 0.001 0.000 0.227 300 Y C 1.734 177.738 175.900 0.173 0.000 1.154 300 Y CA 0.968 59.130 58.100 0.102 0.000 1.887 300 Y CB -1.996 36.359 38.460 -0.175 0.000 1.594 300 Y HN 0.630 8.910 8.280 -0.000 0.000 0.668 301 K N 0.677 121.316 120.400 0.400 0.000 2.052 301 K HA -0.299 4.022 4.320 0.001 0.000 0.215 301 K C 1.346 178.147 176.600 0.334 0.000 1.053 301 K CA 2.427 58.972 56.287 0.430 0.000 0.934 301 K CB -0.117 32.534 32.500 0.251 0.000 0.717 301 K HN 0.435 8.685 8.250 -0.000 0.000 0.450 302 D N 0.571 121.094 120.400 0.205 0.000 2.097 302 D HA -0.138 4.503 4.640 0.001 0.000 0.195 302 D C 1.571 177.947 176.300 0.126 0.000 0.989 302 D CA 1.393 55.482 54.000 0.148 0.000 0.827 302 D CB -0.563 40.294 40.800 0.094 0.000 0.966 302 D HN 0.298 8.668 8.370 -0.000 0.000 0.456 303 D N -0.323 120.121 120.400 0.072 0.000 2.137 303 D HA -0.181 4.460 4.640 0.001 0.000 0.189 303 D C 1.956 178.305 176.300 0.081 0.000 0.998 303 D CA 1.111 55.104 54.000 -0.012 0.000 0.839 303 D CB -0.360 40.331 40.800 -0.182 0.000 0.962 303 D HN 0.211 8.581 8.370 -0.000 0.000 0.446 304 F N 0.628 120.767 119.950 0.315 0.000 2.126 304 F HA -0.115 4.413 4.527 0.001 0.000 0.299 304 F C 2.517 178.513 175.800 0.326 0.000 1.096 304 F CA 0.829 59.061 58.000 0.386 0.000 1.255 304 F CB -0.151 39.118 39.000 0.448 0.000 0.997 304 F HN -0.012 8.288 8.300 -0.000 0.000 0.479 305 E N 0.153 120.605 120.200 0.420 0.000 2.152 305 E HA -0.206 4.144 4.350 0.001 0.000 0.192 305 E C 2.086 178.791 176.600 0.175 0.000 0.983 305 E CA 0.742 57.299 56.400 0.262 0.000 0.818 305 E CB -0.073 29.772 29.700 0.242 0.000 0.758 305 E HN 0.304 8.664 8.360 -0.000 0.000 0.467 306 K N 0.613 121.107 120.400 0.157 0.000 2.057 306 K HA -0.113 4.207 4.320 0.001 0.000 0.206 306 K C 2.083 178.741 176.600 0.098 0.000 1.050 306 K CA 1.086 57.427 56.287 0.091 0.000 0.935 306 K CB 0.040 32.569 32.500 0.047 0.000 0.715 306 K HN 0.065 8.315 8.250 -0.000 0.000 0.439 307 M N 0.253 119.951 119.600 0.164 0.000 2.159 307 M HA -0.142 4.339 4.480 0.001 0.000 0.263 307 M C 2.300 178.741 176.300 0.234 0.000 1.063 307 M CA 1.578 56.978 55.300 0.166 0.000 1.110 307 M CB -0.223 32.487 32.600 0.182 0.000 1.374 307 M HN 0.278 8.568 8.290 -0.000 0.000 0.411 308 A N 0.417 123.415 122.820 0.296 0.000 1.877 308 A HA -0.067 4.254 4.320 0.001 0.000 0.216 308 A C 2.365 179.943 177.584 -0.009 0.000 1.186 308 A CA 1.942 54.002 52.037 0.039 0.000 0.620 308 A CB -0.969 17.941 19.000 -0.152 0.000 0.822 308 A HN 0.491 8.641 8.150 -0.000 0.000 0.443 309 A N -0.348 122.484 122.820 0.020 0.000 1.933 309 A HA -0.144 4.176 4.320 0.001 0.000 0.218 309 A C 1.856 179.438 177.584 -0.004 0.000 1.175 309 A CA 1.637 53.675 52.037 0.002 0.000 0.628 309 A CB -0.441 18.569 19.000 0.017 0.000 0.814 309 A HN 0.637 8.787 8.150 -0.000 0.000 0.444 310 E N -0.265 119.937 120.200 0.003 0.000 2.435 310 E HA 0.016 4.366 4.350 0.001 0.000 0.195 310 E C -0.302 176.284 176.600 -0.023 0.000 1.029 310 E CA 0.191 56.588 56.400 -0.006 0.000 0.865 310 E CB 0.110 29.811 29.700 0.001 0.000 0.833 310 E HN 0.516 8.876 8.360 -0.000 0.000 0.510 311 N N 1.005 119.669 118.700 -0.060 0.000 2.723 311 N HA 0.083 4.824 4.740 0.001 0.000 0.290 311 N C -2.265 173.200 175.510 -0.075 0.000 1.882 311 N CA -0.722 52.265 53.050 -0.105 0.000 0.851 311 N CB 1.236 39.488 38.487 -0.391 0.000 1.234 311 N HN 0.074 8.454 8.380 -0.000 0.000 0.491 312 P HA -0.059 4.361 4.420 -0.000 0.000 0.228 312 P C 0.414 177.681 177.300 -0.055 0.000 1.151 312 P CA 1.226 64.288 63.100 -0.062 0.000 0.770 312 P CB 0.606 32.278 31.700 -0.047 0.000 0.786 313 D N -1.332 119.055 120.400 -0.020 0.000 2.469 313 D HA 0.060 4.701 4.640 0.001 0.000 0.213 313 D C 0.883 177.206 176.300 0.039 0.000 1.135 313 D CA 0.201 54.195 54.000 -0.009 0.000 0.834 313 D CB -0.047 40.751 40.800 -0.003 0.000 1.009 313 D HN -0.037 8.333 8.370 -0.000 0.000 0.507 314 N N -1.035 117.717 118.700 0.087 0.000 2.239 314 N HA 0.136 4.876 4.740 0.001 0.000 0.208 314 N C -0.910 174.827 175.510 0.379 0.000 1.200 314 N CA -0.147 53.048 53.050 0.242 0.000 0.895 314 N CB 1.206 39.910 38.487 0.361 0.000 1.085 314 N HN -0.057 8.323 8.380 -0.000 0.000 0.500 315 F N 1.676 121.587 119.950 -0.066 0.000 2.507 315 F HA 0.519 5.047 4.527 0.001 0.000 0.328 315 F C -0.804 174.942 175.800 -0.090 0.000 1.136 315 F CA -1.457 56.484 58.000 -0.098 0.000 0.930 315 F CB 1.034 39.760 39.000 -0.457 0.000 1.166 315 F HN -0.289 8.011 8.300 -0.000 0.000 0.436 316 R N 6.557 126.873 120.500 -0.307 0.000 2.437 316 R HA 0.671 5.011 4.340 0.001 0.000 0.310 316 R C -2.166 173.791 176.300 -0.571 0.000 0.955 316 R CA -0.884 54.914 56.100 -0.502 0.000 0.851 316 R CB 1.500 31.509 30.300 -0.484 0.000 1.161 316 R HN 0.683 8.953 8.270 -0.000 0.000 0.446 317 L N 3.873 124.705 121.223 -0.652 0.000 2.316 317 L HA 0.452 4.793 4.340 0.001 0.000 0.280 317 L C -1.286 175.357 176.870 -0.378 0.000 1.006 317 L CA 0.145 54.655 54.840 -0.549 0.000 0.836 317 L CB 1.969 43.632 42.059 -0.661 0.000 1.221 317 L HN 0.608 8.838 8.230 -0.000 0.000 0.418 318 T N 4.931 119.389 114.554 -0.161 0.000 2.770 318 T HA 0.483 4.834 4.350 0.001 0.000 0.283 318 T C -0.878 173.778 174.700 -0.074 0.000 0.988 318 T CA -0.091 61.959 62.100 -0.084 0.000 0.957 318 T CB 0.379 69.358 68.868 0.186 0.000 0.930 318 T HN 0.221 8.461 8.240 -0.000 0.000 0.443 319 Y N 1.434 121.780 120.300 0.078 0.000 2.320 319 Y HA 0.596 5.147 4.550 0.001 0.000 0.324 319 Y C 0.433 176.351 175.900 0.029 0.000 1.190 319 Y CA -1.686 56.445 58.100 0.052 0.000 1.215 319 Y CB 1.107 39.582 38.460 0.025 0.000 1.221 319 Y HN 0.704 8.984 8.280 -0.000 0.000 0.486 320 A N 4.482 127.415 122.820 0.188 0.000 2.409 320 A HA 0.651 4.972 4.320 0.001 0.000 0.300 320 A C -0.962 176.599 177.584 -0.037 0.000 1.273 320 A CA -0.534 51.539 52.037 0.061 0.000 0.774 320 A CB -0.439 18.598 19.000 0.061 0.000 1.144 320 A HN 0.723 8.873 8.150 -0.000 0.000 0.472 321 I N 3.330 123.854 120.570 -0.076 0.000 2.347 321 I HA 0.112 4.282 4.170 0.001 0.000 0.283 321 I C 1.612 177.605 176.117 -0.208 0.000 1.058 321 I CA -0.253 60.957 61.300 -0.150 0.000 1.202 321 I CB 1.558 39.478 38.000 -0.134 0.000 1.386 321 I HN 0.775 8.985 8.210 -0.000 0.000 0.475 322 S N 5.668 121.206 115.700 -0.271 0.000 2.382 322 S HA -0.092 4.379 4.470 0.001 0.000 0.228 322 S C 1.681 176.083 174.600 -0.330 0.000 1.027 322 S CA 0.768 58.741 58.200 -0.378 0.000 0.991 322 S CB -0.029 62.950 63.200 -0.368 0.000 0.823 322 S HN 0.590 8.900 8.310 -0.000 0.000 0.469 323 R N 0.886 121.169 120.500 -0.363 0.000 2.334 323 R HA 0.297 4.637 4.340 0.001 0.000 0.220 323 R C 0.760 176.964 176.300 -0.159 0.000 0.917 323 R CA 0.366 56.280 56.100 -0.311 0.000 1.073 323 R CB -0.020 29.943 30.300 -0.562 0.000 1.056 323 R HN 0.687 8.957 8.270 -0.000 0.000 0.506 324 E N -0.397 119.721 120.200 -0.136 0.000 2.571 324 E HA 0.101 4.451 4.350 0.001 0.000 0.222 324 E C -0.187 176.378 176.600 -0.058 0.000 0.904 324 E CA 0.082 56.447 56.400 -0.058 0.000 1.157 324 E CB 0.997 30.683 29.700 -0.024 0.000 1.158 324 E HN 0.150 8.510 8.360 -0.000 0.000 0.540 325 Q N 0.886 120.632 119.800 -0.089 0.000 2.356 325 Q HA 0.366 4.707 4.340 0.001 0.000 0.270 325 Q C -0.928 175.013 176.000 -0.098 0.000 1.058 325 Q CA -0.810 54.950 55.803 -0.070 0.000 0.802 325 Q CB 2.123 30.828 28.738 -0.055 0.000 1.303 325 Q HN -0.247 8.023 8.270 -0.000 0.000 0.444 326 K N 1.480 121.839 120.400 -0.069 0.000 2.207 326 K HA 0.453 4.773 4.320 0.001 0.000 0.255 326 K C -0.284 176.281 176.600 -0.058 0.000 0.941 326 K CA -0.520 55.724 56.287 -0.071 0.000 0.825 326 K CB 1.968 34.438 32.500 -0.049 0.000 1.119 326 K HN 0.549 8.799 8.250 -0.000 0.000 0.430 327 T N 1.390 115.906 114.554 -0.063 0.000 2.802 327 T HA 0.094 4.444 4.350 0.001 0.000 0.305 327 T C 1.630 176.310 174.700 -0.033 0.000 1.053 327 T CA 0.374 62.447 62.100 -0.045 0.000 1.058 327 T CB 0.892 69.736 68.868 -0.040 0.000 0.988 327 T HN 0.606 8.846 8.240 -0.000 0.000 0.539 328 A N 2.067 124.869 122.820 -0.030 0.000 1.917 328 A HA -0.160 4.160 4.320 0.001 0.000 0.219 328 A C 1.807 179.379 177.584 -0.019 0.000 1.182 328 A CA 2.006 54.028 52.037 -0.024 0.000 0.633 328 A CB -0.627 18.357 19.000 -0.026 0.000 0.819 328 A HN 0.879 9.029 8.150 -0.000 0.000 0.448 329 D N -1.121 119.268 120.400 -0.017 0.000 2.378 329 D HA 0.145 4.786 4.640 0.001 0.000 0.222 329 D C 1.376 177.668 176.300 -0.013 0.000 0.980 329 D CA 1.160 55.153 54.000 -0.012 0.000 0.907 329 D CB -0.617 40.179 40.800 -0.006 0.000 0.899 329 D HN 0.836 9.206 8.370 -0.000 0.000 0.527 330 G N -0.112 108.676 108.800 -0.019 0.000 2.176 330 G HA2 -0.181 3.779 3.960 0.001 0.000 0.253 330 G HA3 -0.181 3.779 3.960 0.001 0.000 0.253 330 G C 0.677 175.560 174.900 -0.029 0.000 0.979 330 G CA 0.117 45.203 45.100 -0.022 0.000 0.641 330 G HN 0.734 9.024 8.290 -0.000 0.000 0.530 331 G N -0.470 108.313 108.800 -0.029 0.000 2.557 331 G HA2 0.557 4.517 3.960 0.001 0.000 0.292 331 G HA3 0.557 4.517 3.960 0.001 0.000 0.292 331 G C 0.074 174.917 174.900 -0.096 0.000 1.237 331 G CA -0.525 44.555 45.100 -0.033 0.000 0.978 331 G HN 0.415 8.705 8.290 -0.000 0.000 0.498 332 K N -0.576 119.730 120.400 -0.156 0.000 2.298 332 K HA 0.315 4.635 4.320 0.001 0.000 0.280 332 K C -0.408 175.849 176.600 -0.573 0.000 1.032 332 K CA -0.348 55.709 56.287 -0.383 0.000 0.958 332 K CB 1.696 33.887 32.500 -0.516 0.000 0.978 332 K HN 0.098 8.348 8.250 -0.000 0.000 0.472 333 V N 5.006 124.643 119.914 -0.462 0.000 2.427 333 V HA 0.106 4.226 4.120 0.001 0.000 0.268 333 V C -0.556 175.260 176.094 -0.462 0.000 1.046 333 V CA -0.177 61.916 62.300 -0.345 0.000 0.970 333 V CB -0.548 31.177 31.823 -0.162 0.000 1.001 333 V HN 0.524 8.714 8.190 -0.000 0.000 0.476 334 Y N 2.559 122.844 120.300 -0.025 0.000 2.602 334 Y HA 0.414 4.965 4.550 0.001 0.000 0.330 334 Y C 1.255 177.146 175.900 -0.014 0.000 1.114 334 Y CA -0.866 57.219 58.100 -0.024 0.000 1.182 334 Y CB 1.037 39.479 38.460 -0.029 0.000 1.305 334 Y HN 0.228 8.508 8.280 -0.000 0.000 0.502 335 V N 0.929 120.951 119.914 0.180 0.000 2.317 335 V HA -0.344 3.777 4.120 0.001 0.000 0.251 335 V C 2.321 178.431 176.094 0.026 0.000 1.065 335 V CA 2.419 64.769 62.300 0.085 0.000 1.049 335 V CB -0.602 31.266 31.823 0.076 0.000 0.651 335 V HN 0.903 9.093 8.190 -0.000 0.000 0.450 336 Q N 0.167 119.987 119.800 0.034 0.000 2.170 336 Q HA -0.183 4.158 4.340 0.001 0.000 0.203 336 Q C 2.105 178.080 176.000 -0.041 0.000 0.976 336 Q CA 2.241 58.015 55.803 -0.048 0.000 0.858 336 Q CB -0.941 27.770 28.738 -0.046 0.000 0.907 336 Q HN 0.620 8.890 8.270 -0.000 0.000 0.433 337 S N 1.073 116.798 115.700 0.041 0.000 2.399 337 S HA -0.030 4.440 4.470 0.001 0.000 0.231 337 S C 1.898 176.500 174.600 0.003 0.000 1.022 337 S CA 0.926 59.136 58.200 0.016 0.000 0.983 337 S CB -0.047 63.170 63.200 0.028 0.000 0.803 337 S HN 0.312 8.622 8.310 -0.000 0.000 0.480 338 R N 0.911 121.434 120.500 0.038 0.000 2.090 338 R HA 0.132 4.473 4.340 0.001 0.000 0.228 338 R C 2.275 178.633 176.300 0.097 0.000 1.110 338 R CA 0.625 56.804 56.100 0.132 0.000 0.973 338 R CB -1.274 29.116 30.300 0.151 0.000 0.869 338 R HN 0.343 8.613 8.270 -0.000 0.000 0.440 339 V N 0.915 120.774 119.914 -0.092 0.000 2.343 339 V HA -0.234 3.887 4.120 0.001 0.000 0.247 339 V C 2.585 178.523 176.094 -0.260 0.000 1.051 339 V CA 2.127 64.263 62.300 -0.273 0.000 1.036 339 V CB -0.577 30.912 31.823 -0.557 0.000 0.654 339 V HN 0.369 8.559 8.190 -0.000 0.000 0.451 340 S N -0.444 115.133 115.700 -0.205 0.000 2.348 340 S HA -0.294 4.177 4.470 0.001 0.000 0.221 340 S C 2.121 176.643 174.600 -0.130 0.000 1.033 340 S CA 2.115 60.220 58.200 -0.159 0.000 1.010 340 S CB -0.399 62.734 63.200 -0.112 0.000 0.891 340 S HN 0.711 9.021 8.310 -0.000 0.000 0.442 341 E N -0.974 119.143 120.200 -0.139 0.000 2.130 341 E HA -0.185 4.166 4.350 0.001 0.000 0.196 341 E C 0.415 176.749 176.600 -0.443 0.000 0.998 341 E CA 1.299 57.519 56.400 -0.299 0.000 0.806 341 E CB -0.116 29.363 29.700 -0.369 0.000 0.738 341 E HN 0.818 9.178 8.360 -0.000 0.000 0.459 342 Y N -1.222 119.088 120.300 0.016 0.000 2.720 342 Y HA 0.390 4.941 4.550 0.001 0.000 0.268 342 Y C 1.416 177.323 175.900 0.011 0.000 1.142 342 Y CA -0.095 58.057 58.100 0.085 0.000 1.193 342 Y CB 0.634 39.263 38.460 0.281 0.000 1.176 342 Y HN 0.111 8.391 8.280 -0.000 0.000 0.542 343 A N 0.102 122.911 122.820 -0.018 0.000 1.917 343 A HA -0.227 4.094 4.320 0.001 0.000 0.219 343 A C 2.007 179.568 177.584 -0.040 0.000 1.182 343 A CA 2.300 54.226 52.037 -0.184 0.000 0.633 343 A CB -0.344 18.595 19.000 -0.102 0.000 0.819 343 A HN 0.385 8.535 8.150 -0.000 0.000 0.448 344 D N -0.916 119.565 120.400 0.135 0.000 2.097 344 D HA -0.176 4.464 4.640 0.001 0.000 0.195 344 D C 1.937 178.370 176.300 0.221 0.000 0.989 344 D CA 1.647 55.783 54.000 0.226 0.000 0.827 344 D CB -0.293 40.603 40.800 0.160 0.000 0.966 344 D HN 0.747 9.117 8.370 -0.000 0.000 0.456 345 E N 0.408 120.737 120.200 0.215 0.000 2.106 345 E HA -0.129 4.222 4.350 0.001 0.000 0.192 345 E C 2.450 179.213 176.600 0.271 0.000 0.984 345 E CA 0.376 56.919 56.400 0.239 0.000 0.806 345 E CB -0.009 29.850 29.700 0.264 0.000 0.750 345 E HN 0.189 8.549 8.360 -0.000 0.000 0.458 346 L N -0.216 121.146 121.223 0.232 0.000 2.046 346 L HA -0.148 4.192 4.340 0.001 0.000 0.208 346 L C 2.331 179.298 176.870 0.162 0.000 1.077 346 L CA 1.202 56.147 54.840 0.175 0.000 0.747 346 L CB -0.406 41.649 42.059 -0.006 0.000 0.896 346 L HN 0.201 8.431 8.230 -0.000 0.000 0.432 347 F N 0.128 120.219 119.950 0.235 0.000 2.134 347 F HA -0.219 4.308 4.527 0.001 0.000 0.299 347 F C 2.507 178.404 175.800 0.161 0.000 1.097 347 F CA 0.970 59.084 58.000 0.190 0.000 1.264 347 F CB -0.263 38.829 39.000 0.154 0.000 1.001 347 F HN 0.051 8.351 8.300 -0.000 0.000 0.479 348 E N 0.215 120.610 120.200 0.325 0.000 2.097 348 E HA -0.273 4.078 4.350 0.001 0.000 0.196 348 E C 2.141 178.863 176.600 0.205 0.000 1.000 348 E CA 1.709 58.242 56.400 0.223 0.000 0.804 348 E CB -0.232 29.576 29.700 0.180 0.000 0.740 348 E HN 0.442 8.802 8.360 -0.000 0.000 0.454 349 M N -0.155 119.584 119.600 0.231 0.000 2.132 349 M HA -0.107 4.373 4.480 0.001 0.000 0.263 349 M C 2.219 178.651 176.300 0.220 0.000 1.065 349 M CA 1.180 56.615 55.300 0.226 0.000 1.122 349 M CB -0.103 32.664 32.600 0.279 0.000 1.365 349 M HN 0.109 8.399 8.290 -0.000 0.000 0.411 350 I N 0.099 120.820 120.570 0.251 0.000 2.423 350 I HA -0.290 3.880 4.170 0.001 0.000 0.254 350 I C 1.736 177.960 176.117 0.177 0.000 1.151 350 I CA 1.310 62.752 61.300 0.236 0.000 1.421 350 I CB -0.233 37.955 38.000 0.313 0.000 1.079 350 I HN 0.388 8.598 8.210 -0.000 0.000 0.431 351 Q N 0.558 120.463 119.800 0.175 0.000 2.365 351 Q HA 0.041 4.382 4.340 0.001 0.000 0.203 351 Q C -0.124 175.934 176.000 0.096 0.000 0.929 351 Q CA 0.260 56.136 55.803 0.121 0.000 0.948 351 Q CB 0.267 29.076 28.738 0.120 0.000 1.043 351 Q HN 0.242 8.512 8.270 -0.000 0.000 0.505 352 K N 1.130 121.594 120.400 0.108 0.000 2.130 352 K HA 0.183 4.503 4.320 0.001 0.000 0.268 352 K C -1.821 174.823 176.600 0.073 0.000 0.983 352 K CA -2.128 54.212 56.287 0.089 0.000 0.893 352 K CB 1.150 33.714 32.500 0.107 0.000 1.066 352 K HN -0.181 8.069 8.250 -0.000 0.000 0.450 353 P HA -0.078 4.342 4.420 -0.000 0.000 0.227 353 P C 0.277 177.604 177.300 0.045 0.000 1.161 353 P CA 0.936 64.054 63.100 0.030 0.000 0.788 353 P CB 0.187 31.900 31.700 0.022 0.000 0.822 354 N N -0.554 118.200 118.700 0.091 0.000 2.515 354 N HA -0.005 4.736 4.740 0.001 0.000 0.191 354 N C -0.222 175.433 175.510 0.241 0.000 1.182 354 N CA 0.368 53.511 53.050 0.156 0.000 0.879 354 N CB -0.549 38.020 38.487 0.137 0.000 0.984 354 N HN -0.024 8.356 8.380 -0.000 0.000 0.453 355 T N 1.450 116.106 114.554 0.171 0.000 2.744 355 T HA 0.186 4.537 4.350 0.001 0.000 0.291 355 T C -0.543 174.270 174.700 0.188 0.000 0.957 355 T CA -0.245 61.996 62.100 0.236 0.000 1.002 355 T CB 0.950 69.941 68.868 0.205 0.000 0.919 355 T HN 0.178 8.418 8.240 -0.000 0.000 0.468 356 H N 1.591 120.832 119.070 0.285 0.000 2.495 356 H HA 0.502 5.058 4.556 0.001 0.000 0.348 356 H C -0.743 174.783 175.328 0.329 0.000 1.113 356 H CA -0.660 55.578 56.048 0.317 0.000 1.195 356 H CB 1.877 31.899 29.762 0.433 0.000 1.521 356 H HN 0.276 8.556 8.280 -0.000 0.000 0.509 357 V N 4.395 124.503 119.914 0.322 0.000 2.459 357 V HA 0.221 4.341 4.120 0.001 0.000 0.295 357 V C -0.900 175.178 176.094 -0.027 0.000 1.029 357 V CA -0.639 61.791 62.300 0.217 0.000 0.874 357 V CB 0.981 32.944 31.823 0.232 0.000 0.985 357 V HN 0.582 8.772 8.190 -0.000 0.000 0.438 358 Y N 3.925 124.235 120.300 0.018 0.000 2.446 358 Y HA 0.717 5.268 4.550 0.001 0.000 0.345 358 Y C 0.043 175.935 175.900 -0.014 0.000 0.984 358 Y CA -0.799 57.331 58.100 0.051 0.000 1.058 358 Y CB 2.130 40.740 38.460 0.250 0.000 1.220 358 Y HN 0.547 8.827 8.280 -0.000 0.000 0.455 359 M N 4.224 123.903 119.600 0.133 0.000 2.263 359 M HA 0.665 5.145 4.480 0.001 0.000 0.295 359 M C -2.089 174.310 176.300 0.166 0.000 1.028 359 M CA -0.274 55.098 55.300 0.119 0.000 0.921 359 M CB 1.401 33.969 32.600 -0.055 0.000 1.601 359 M HN 0.872 9.162 8.290 -0.000 0.000 0.440 360 C N 3.972 123.391 119.300 0.198 0.000 2.880 360 C HA 1.019 5.479 4.460 0.001 0.000 0.320 360 C C -0.080 174.899 174.990 -0.018 0.000 1.176 360 C CA 0.922 59.962 59.018 0.037 0.000 1.390 360 C CB 1.220 28.879 27.740 -0.135 0.000 1.846 360 C HN 1.190 9.420 8.230 -0.000 0.000 0.478 361 G N 3.577 112.238 108.800 -0.231 0.000 2.350 361 G HA2 0.236 4.197 3.960 0.001 0.000 0.282 361 G HA3 0.236 4.197 3.960 0.001 0.000 0.282 361 G C -1.654 172.755 174.900 -0.818 0.000 1.314 361 G CA -0.798 44.087 45.100 -0.359 0.000 0.915 361 G HN 0.920 9.210 8.290 -0.000 0.000 0.499 362 L N 0.867 121.784 121.223 -0.510 0.000 2.461 362 L HA 0.211 4.552 4.340 0.001 0.000 0.272 362 L C 2.060 178.785 176.870 -0.242 0.000 1.197 362 L CA -0.317 54.284 54.840 -0.398 0.000 0.836 362 L CB 0.624 42.602 42.059 -0.135 0.000 1.105 362 L HN 0.765 8.995 8.230 -0.000 0.000 0.477 363 K N 2.335 122.632 120.400 -0.172 0.000 2.144 363 K HA -0.214 4.106 4.320 0.001 0.000 0.209 363 K C 1.819 178.388 176.600 -0.051 0.000 1.047 363 K CA 1.668 57.908 56.287 -0.079 0.000 0.927 363 K CB -0.406 32.074 32.500 -0.033 0.000 0.716 363 K HN 0.970 9.220 8.250 -0.000 0.000 0.454 364 G N 1.864 110.631 108.800 -0.055 0.000 2.535 364 G HA2 -0.231 3.729 3.960 0.001 0.000 0.218 364 G HA3 -0.231 3.729 3.960 0.001 0.000 0.218 364 G C 1.382 176.252 174.900 -0.049 0.000 1.122 364 G CA 0.834 45.905 45.100 -0.047 0.000 0.769 364 G HN 0.421 8.711 8.290 -0.000 0.000 0.549 365 M N -0.887 118.687 119.600 -0.044 0.000 2.492 365 M HA 0.191 4.672 4.480 0.001 0.000 0.262 365 M C 2.149 178.460 176.300 0.018 0.000 1.090 365 M CA 1.381 56.668 55.300 -0.021 0.000 1.110 365 M CB -0.108 32.490 32.600 -0.003 0.000 1.407 365 M HN 0.260 8.550 8.290 -0.000 0.000 0.470 366 Q N 1.365 121.184 119.800 0.032 0.000 2.008 366 Q HA 0.003 4.343 4.340 0.001 0.000 0.196 366 Q C -0.803 175.265 176.000 0.113 0.000 0.973 366 Q CA 1.061 56.922 55.803 0.096 0.000 0.826 366 Q CB -0.818 27.978 28.738 0.097 0.000 0.894 366 Q HN 0.273 8.543 8.270 -0.000 0.000 0.439 367 P HA -0.185 4.235 4.420 -0.000 0.000 0.216 367 P C -1.685 175.654 177.300 0.065 0.000 1.167 367 P CA 2.635 65.778 63.100 0.071 0.000 0.914 367 P CB -1.141 30.578 31.700 0.031 0.000 0.793 368 P HA -0.080 4.340 4.420 -0.000 0.000 0.221 368 P C 1.635 178.941 177.300 0.009 0.000 1.150 368 P CA 1.345 64.441 63.100 -0.006 0.000 0.800 368 P CB -0.415 31.243 31.700 -0.070 0.000 0.787 369 I N 0.287 120.888 120.570 0.052 0.000 2.286 369 I HA -0.159 4.011 4.170 0.001 0.000 0.245 369 I C 2.122 178.360 176.117 0.202 0.000 1.104 369 I CA 1.382 62.726 61.300 0.073 0.000 1.397 369 I CB -0.667 37.423 38.000 0.150 0.000 1.072 369 I HN -0.131 8.079 8.210 -0.000 0.000 0.417 370 D N 0.818 121.407 120.400 0.314 0.000 2.144 370 D HA -0.175 4.466 4.640 0.001 0.000 0.199 370 D C 2.044 178.520 176.300 0.294 0.000 0.984 370 D CA 1.222 55.495 54.000 0.455 0.000 0.834 370 D CB -0.088 40.962 40.800 0.417 0.000 0.955 370 D HN 0.435 8.805 8.370 -0.000 0.000 0.465 371 E N -0.160 120.134 120.200 0.157 0.000 2.152 371 E HA -0.074 4.277 4.350 0.001 0.000 0.192 371 E C 1.935 178.541 176.600 0.011 0.000 0.983 371 E CA 0.775 57.228 56.400 0.089 0.000 0.818 371 E CB 0.119 29.853 29.700 0.057 0.000 0.758 371 E HN 0.181 8.541 8.360 -0.000 0.000 0.467 372 T N 0.761 115.275 114.554 -0.065 0.000 2.737 372 T HA -0.122 4.229 4.350 0.001 0.000 0.265 372 T C 1.539 176.098 174.700 -0.235 0.000 1.038 372 T CA 0.966 62.966 62.100 -0.166 0.000 1.144 372 T CB -0.413 68.301 68.868 -0.256 0.000 0.866 372 T HN 0.117 8.357 8.240 -0.000 0.000 0.434 373 F N 1.708 121.452 119.950 -0.343 0.000 2.065 373 F HA -0.201 4.327 4.527 0.002 0.000 0.298 373 F C 2.921 178.426 175.800 -0.491 0.000 1.112 373 F CA 1.322 58.898 58.000 -0.708 0.000 1.212 373 F CB -0.900 37.046 39.000 -1.757 0.000 0.975 373 F HN 0.109 8.409 8.300 -0.000 0.000 0.476 374 T N -0.132 114.336 114.554 -0.143 0.000 2.635 374 T HA -0.282 4.068 4.350 0.001 0.000 0.267 374 T C 2.162 176.927 174.700 0.108 0.000 1.040 374 T CA 1.506 63.694 62.100 0.147 0.000 1.156 374 T CB -0.757 68.258 68.868 0.245 0.000 0.863 374 T HN 0.345 8.585 8.240 -0.000 0.000 0.430 375 A N 1.603 124.458 122.820 0.058 0.000 1.902 375 A HA -0.115 4.206 4.320 0.001 0.000 0.217 375 A C 2.294 179.914 177.584 0.061 0.000 1.181 375 A CA 1.275 53.341 52.037 0.047 0.000 0.623 375 A CB -0.372 18.640 19.000 0.021 0.000 0.818 375 A HN 0.367 8.517 8.150 -0.000 0.000 0.443 376 E N -0.033 120.215 120.200 0.079 0.000 2.204 376 E HA -0.055 4.295 4.350 0.001 0.000 0.194 376 E C 2.245 178.981 176.600 0.226 0.000 0.989 376 E CA 1.007 57.506 56.400 0.165 0.000 0.824 376 E CB -0.462 29.338 29.700 0.165 0.000 0.756 376 E HN 0.595 8.955 8.360 -0.000 0.000 0.477 377 A N 1.519 124.446 122.820 0.178 0.000 1.855 377 A HA -0.197 4.124 4.320 0.001 0.000 0.215 377 A C 2.081 179.644 177.584 -0.035 0.000 1.191 377 A CA 1.434 53.438 52.037 -0.056 0.000 0.613 377 A CB -0.457 18.577 19.000 0.056 0.000 0.829 377 A HN 0.167 8.317 8.150 -0.000 0.000 0.442 378 E N -0.182 120.036 120.200 0.030 0.000 2.049 378 E HA -0.230 4.121 4.350 0.001 0.000 0.198 378 E C 2.040 178.646 176.600 0.009 0.000 1.007 378 E CA 1.560 57.972 56.400 0.020 0.000 0.809 378 E CB -0.181 29.540 29.700 0.035 0.000 0.749 378 E HN 0.523 8.883 8.360 -0.000 0.000 0.450 379 K N 0.212 120.626 120.400 0.023 0.000 2.189 379 K HA -0.189 4.132 4.320 0.001 0.000 0.207 379 K C 1.443 178.050 176.600 0.011 0.000 1.046 379 K CA 1.286 57.586 56.287 0.023 0.000 0.928 379 K CB -0.022 32.502 32.500 0.040 0.000 0.720 379 K HN -0.005 8.245 8.250 -0.000 0.000 0.458 380 R N -0.890 119.604 120.500 -0.009 0.000 2.552 380 R HA 0.102 4.443 4.340 0.001 0.000 0.314 380 R C 0.532 176.799 176.300 -0.055 0.000 1.041 380 R CA 0.342 56.423 56.100 -0.031 0.000 1.076 380 R CB 0.890 31.160 30.300 -0.051 0.000 1.290 380 R HN 0.277 8.547 8.270 -0.000 0.000 0.563 381 G N 1.438 110.215 108.800 -0.039 0.000 2.233 381 G HA2 -0.304 3.657 3.960 0.001 0.000 0.270 381 G HA3 -0.304 3.657 3.960 0.001 0.000 0.270 381 G C 0.072 174.936 174.900 -0.060 0.000 1.011 381 G CA 0.468 45.546 45.100 -0.037 0.000 0.762 381 G HN 0.225 8.515 8.290 -0.000 0.000 0.511 382 L N -0.596 120.567 121.223 -0.099 0.000 2.365 382 L HA 0.536 4.877 4.340 0.001 0.000 0.267 382 L C 0.497 177.330 176.870 -0.062 0.000 1.033 382 L CA -1.117 53.649 54.840 -0.124 0.000 0.802 382 L CB 1.309 43.203 42.059 -0.276 0.000 1.267 382 L HN 0.123 8.353 8.230 -0.000 0.000 0.457 383 N N 0.623 119.300 118.700 -0.038 0.000 2.518 383 N HA 0.035 4.776 4.740 0.001 0.000 0.254 383 N C 0.237 175.777 175.510 0.050 0.000 0.979 383 N CA -0.372 52.683 53.050 0.008 0.000 0.930 383 N CB 1.117 39.588 38.487 -0.026 0.000 1.152 383 N HN 0.764 9.144 8.380 -0.000 0.000 0.505 384 W N 4.876 126.127 121.300 -0.083 0.000 2.467 384 W HA -0.036 4.625 4.660 0.002 0.000 0.275 384 W C 0.760 177.193 176.519 -0.143 0.000 1.239 384 W CA 0.689 57.985 57.345 -0.082 0.000 1.266 384 W CB 0.504 29.980 29.460 0.027 0.000 1.112 384 W HN 0.600 8.780 8.180 -0.000 0.000 0.576 385 E N 0.842 120.854 120.200 -0.313 0.000 2.077 385 E HA -0.285 4.065 4.350 0.001 0.000 0.193 385 E C 1.746 178.099 176.600 -0.412 0.000 0.989 385 E CA 1.687 57.832 56.400 -0.425 0.000 0.800 385 E CB -0.478 29.100 29.700 -0.204 0.000 0.746 385 E HN 0.389 8.749 8.360 -0.000 0.000 0.452 386 E N 0.857 120.899 120.200 -0.264 0.000 2.023 386 E HA -0.192 4.159 4.350 0.001 0.000 0.196 386 E C 2.162 178.596 176.600 -0.277 0.000 1.003 386 E CA 1.484 57.754 56.400 -0.216 0.000 0.809 386 E CB -0.060 29.560 29.700 -0.133 0.000 0.755 386 E HN 0.126 8.486 8.360 -0.000 0.000 0.449 387 M N -0.266 119.165 119.600 -0.281 0.000 2.108 387 M HA -0.204 4.277 4.480 0.001 0.000 0.261 387 M C 2.539 178.551 176.300 -0.479 0.000 1.066 387 M CA 1.615 56.759 55.300 -0.260 0.000 1.107 387 M CB -0.200 32.361 32.600 -0.066 0.000 1.356 387 M HN 0.054 8.344 8.290 -0.000 0.000 0.406 388 R N 0.089 120.057 120.500 -0.887 0.000 2.073 388 R HA -0.123 4.217 4.340 0.001 0.000 0.234 388 R C 2.260 178.149 176.300 -0.685 0.000 1.134 388 R CA 1.555 56.968 56.100 -1.145 0.000 0.952 388 R CB -0.092 29.217 30.300 -1.651 0.000 0.850 388 R HN 0.317 8.587 8.270 -0.000 0.000 0.433 389 R N 0.102 120.301 120.500 -0.502 0.000 2.136 389 R HA -0.183 4.158 4.340 0.001 0.000 0.242 389 R C 2.449 178.604 176.300 -0.241 0.000 1.131 389 R CA 2.432 58.347 56.100 -0.308 0.000 0.937 389 R CB -0.546 29.614 30.300 -0.233 0.000 0.863 389 R HN 0.375 8.645 8.270 -0.000 0.000 0.435 390 S N 0.564 116.126 115.700 -0.229 0.000 2.382 390 S HA -0.160 4.311 4.470 0.001 0.000 0.228 390 S C 2.055 176.552 174.600 -0.172 0.000 1.027 390 S CA 1.168 59.266 58.200 -0.169 0.000 0.991 390 S CB -0.291 62.826 63.200 -0.139 0.000 0.823 390 S HN 0.201 8.511 8.310 -0.000 0.000 0.469 391 M N 1.401 120.876 119.600 -0.209 0.000 2.080 391 M HA -0.088 4.392 4.480 0.001 0.000 0.260 391 M C 2.474 178.701 176.300 -0.122 0.000 1.068 391 M CA 1.579 56.783 55.300 -0.159 0.000 1.109 391 M CB -0.297 32.210 32.600 -0.154 0.000 1.342 391 M HN 0.255 8.545 8.290 -0.000 0.000 0.405 392 K N -0.017 120.300 120.400 -0.138 0.000 2.063 392 K HA -0.195 4.125 4.320 0.001 0.000 0.208 392 K C 1.869 178.459 176.600 -0.017 0.000 1.048 392 K CA 1.491 57.748 56.287 -0.048 0.000 0.928 392 K CB -0.051 32.403 32.500 -0.077 0.000 0.713 392 K HN 0.345 8.595 8.250 -0.000 0.000 0.442 393 K N 0.626 120.978 120.400 -0.080 0.000 2.097 393 K HA -0.141 4.180 4.320 0.001 0.000 0.205 393 K C 1.558 177.993 176.600 -0.274 0.000 1.050 393 K CA 1.306 57.542 56.287 -0.085 0.000 0.938 393 K CB 0.032 32.475 32.500 -0.094 0.000 0.718 393 K HN 0.210 8.460 8.250 -0.000 0.000 0.442 394 E N 0.355 120.381 120.200 -0.291 0.000 2.502 394 E HA -0.049 4.302 4.350 0.001 0.000 0.194 394 E C -0.725 175.581 176.600 -0.491 0.000 1.062 394 E CA 0.000 56.152 56.400 -0.413 0.000 0.867 394 E CB -0.053 29.511 29.700 -0.227 0.000 0.888 394 E HN 0.309 8.669 8.360 -0.000 0.000 0.510 395 H N -0.660 118.377 119.070 -0.055 0.000 2.713 395 H HA -0.189 4.368 4.556 0.001 0.000 0.311 395 H C 0.276 175.529 175.328 -0.125 0.000 1.175 395 H CA 0.865 56.875 56.048 -0.064 0.000 1.143 395 H CB -2.035 27.756 29.762 0.049 0.000 1.434 395 H HN 0.356 8.636 8.280 -0.000 0.000 0.418 396 R N -0.588 119.803 120.500 -0.183 0.000 2.472 396 R HA 0.112 4.452 4.340 0.001 0.000 0.279 396 R C 0.183 176.385 176.300 -0.164 0.000 0.953 396 R CA -0.003 55.911 56.100 -0.309 0.000 1.088 396 R CB 1.139 31.229 30.300 -0.351 0.000 1.197 396 R HN 0.356 8.626 8.270 -0.000 0.000 0.536 397 W N 2.324 123.291 121.300 -0.555 0.000 2.647 397 W HA 0.346 5.006 4.660 0.001 0.000 0.328 397 W C -1.720 174.497 176.519 -0.503 0.000 1.018 397 W CA -0.307 56.812 57.345 -0.376 0.000 1.245 397 W CB 0.954 30.271 29.460 -0.238 0.000 1.356 397 W HN 0.062 8.242 8.180 -0.000 0.000 0.443 398 H N 4.569 123.229 119.070 -0.683 0.000 2.667 398 H HA 0.536 5.093 4.556 0.001 0.000 0.353 398 H C -1.027 174.027 175.328 -0.457 0.000 1.072 398 H CA -0.752 55.022 56.048 -0.458 0.000 1.214 398 H CB 2.711 32.176 29.762 -0.494 0.000 1.600 398 H HN 0.062 8.342 8.280 -0.000 0.000 0.527 399 V N 2.670 122.508 119.914 -0.127 0.000 2.623 399 V HA 0.157 4.278 4.120 0.001 0.000 0.304 399 V C -0.429 175.686 176.094 0.036 0.000 1.054 399 V CA -0.616 61.638 62.300 -0.076 0.000 0.882 399 V CB 2.349 34.142 31.823 -0.049 0.000 1.002 399 V HN 0.713 8.903 8.190 -0.000 0.000 0.424 400 E N 3.512 123.745 120.200 0.055 0.000 2.460 400 E HA 0.652 5.002 4.350 0.001 0.000 0.249 400 E C -1.737 174.911 176.600 0.078 0.000 0.962 400 E CA -0.093 56.362 56.400 0.092 0.000 0.787 400 E CB 1.811 31.571 29.700 0.101 0.000 1.341 400 E HN 0.415 8.775 8.360 -0.000 0.000 0.407 401 V N 5.561 125.505 119.914 0.050 0.000 2.789 401 V HA 0.712 4.832 4.120 0.001 0.000 0.311 401 V C -1.327 174.743 176.094 -0.039 0.000 1.073 401 V CA -0.532 61.694 62.300 -0.124 0.000 0.921 401 V CB 1.281 33.063 31.823 -0.067 0.000 1.009 401 V HN 0.636 8.826 8.190 -0.000 0.000 0.426 402 Y N 0.000 120.299 120.300 -0.002 0.000 2.660 402 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 402 Y CA 0.000 58.089 58.100 -0.018 0.000 1.940 402 Y CB 0.000 38.432 38.460 -0.047 0.000 1.050 402 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758