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 3klm_1_X DATA FIRST_RESID 1 DATA SEQUENCE ARTVVLITGC SSGIGLHLAV RLASDPSQSF KVYATLRDLK TQGRLWEAAR DATA SEQUENCE ALACPPGSLE TLQLDVRDSK SVAAARERVT EGRVDVLVCN AGLGLLGPLE DATA SEQUENCE ALGEDAVASV LDVNVVGTVR MLQAFLPDMK RRGSGRVLVT GSVGGLMGLP DATA SEQUENCE FNDVYCASKF ALEGLCESLA VLLLPFGVHL SLIECGPVHT XXXXXXXGSP DATA SEQUENCE EEVLDRTDIH TFHRFYQYLA HSKQVFREAA QNPEEVAEVF LTALRAPKPT DATA SEQUENCE LRYFTTERFL PLLRMRLDDP SGSNYVTAMH REVF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.568 177.584 -0.026 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 2 R N 0.892 121.381 120.500 -0.018 0.000 2.577 2 R HA 0.536 4.879 4.340 0.005 0.000 0.269 2 R C -0.720 175.573 176.300 -0.012 0.000 1.084 2 R CA 0.166 56.240 56.100 -0.043 0.000 1.163 2 R CB 0.531 30.818 30.300 -0.022 0.000 1.100 2 R HN 0.380 8.650 8.270 -0.000 0.000 0.547 3 T N 1.853 116.385 114.554 -0.038 0.000 2.737 3 T HA 0.146 4.499 4.350 0.005 0.000 0.296 3 T C -0.132 174.671 174.700 0.171 0.000 0.922 3 T CA -0.383 61.759 62.100 0.071 0.000 1.079 3 T CB 0.656 69.574 68.868 0.083 0.000 0.892 3 T HN 0.140 8.380 8.240 -0.000 0.000 0.514 4 V N 5.535 125.543 119.914 0.155 0.000 2.432 4 V HA 0.270 4.393 4.120 0.005 0.000 0.271 4 V C 0.216 176.417 176.094 0.179 0.000 1.046 4 V CA -0.456 61.957 62.300 0.188 0.000 0.945 4 V CB 0.931 32.874 31.823 0.201 0.000 0.992 4 V HN 0.641 8.831 8.190 -0.000 0.000 0.471 5 V N 6.718 126.737 119.914 0.174 0.000 2.495 5 V HA 0.528 4.651 4.120 0.005 0.000 0.298 5 V C -0.351 175.803 176.094 0.101 0.000 1.031 5 V CA -0.620 61.734 62.300 0.090 0.000 0.871 5 V CB 1.850 33.684 31.823 0.017 0.000 0.988 5 V HN 0.719 8.909 8.190 -0.000 0.000 0.432 6 L N 6.168 127.393 121.223 0.004 0.000 2.349 6 L HA 0.689 5.032 4.340 0.005 0.000 0.278 6 L C -1.029 175.777 176.870 -0.107 0.000 0.996 6 L CA -0.221 54.599 54.840 -0.032 0.000 0.825 6 L CB 1.186 43.136 42.059 -0.181 0.000 1.243 6 L HN 0.583 8.813 8.230 -0.000 0.000 0.412 7 I N 3.830 124.354 120.570 -0.076 0.000 2.433 7 I HA 0.390 4.563 4.170 0.005 0.000 0.292 7 I C 0.246 176.313 176.117 -0.082 0.000 1.001 7 I CA -0.551 60.690 61.300 -0.099 0.000 1.119 7 I CB 2.181 40.105 38.000 -0.126 0.000 1.289 7 I HN 0.576 8.786 8.210 -0.000 0.000 0.438 8 T N 1.069 115.579 114.554 -0.074 0.000 2.922 8 T HA 0.572 4.926 4.350 0.005 0.000 0.285 8 T C 0.767 175.441 174.700 -0.044 0.000 1.005 8 T CA -0.084 61.989 62.100 -0.046 0.000 1.061 8 T CB 1.578 70.430 68.868 -0.027 0.000 1.007 8 T HN 1.116 9.356 8.240 -0.000 0.000 0.502 9 G N 0.442 109.224 108.800 -0.030 0.000 2.326 9 G HA2 -0.213 3.750 3.960 0.005 0.000 0.286 9 G HA3 -0.213 3.750 3.960 0.005 0.000 0.286 9 G C 0.455 175.323 174.900 -0.052 0.000 1.096 9 G CA -0.183 44.901 45.100 -0.026 0.000 1.003 9 G HN 1.003 9.293 8.290 -0.000 0.000 0.503 10 C N 0.719 119.975 119.300 -0.073 0.000 2.673 10 C HA 0.326 4.789 4.460 0.005 0.000 0.274 10 C C 2.642 177.564 174.990 -0.115 0.000 1.276 10 C CA 0.669 59.619 59.018 -0.113 0.000 1.701 10 C CB -0.966 26.686 27.740 -0.147 0.000 1.836 10 C HN 0.981 9.211 8.230 -0.000 0.000 0.596 11 S N 0.834 116.490 115.700 -0.073 0.000 2.461 11 S HA 0.032 4.505 4.470 0.005 0.000 0.228 11 S C 0.676 175.239 174.600 -0.061 0.000 1.005 11 S CA 0.810 58.973 58.200 -0.062 0.000 0.942 11 S CB -0.156 63.027 63.200 -0.028 0.000 0.776 11 S HN 0.704 9.014 8.310 -0.000 0.000 0.514 12 S N -1.619 114.050 115.700 -0.051 0.000 2.636 12 S HA 0.709 5.182 4.470 0.005 0.000 0.268 12 S C 0.364 174.971 174.600 0.011 0.000 1.159 12 S CA -0.356 57.829 58.200 -0.025 0.000 0.815 12 S CB 0.741 63.948 63.200 0.012 0.000 1.130 12 S HN 1.667 9.977 8.310 -0.000 0.000 0.471 13 G N 1.041 109.904 108.800 0.103 0.000 2.539 13 G HA2 -0.234 3.729 3.960 0.005 0.000 0.256 13 G HA3 -0.234 3.729 3.960 0.005 0.000 0.256 13 G C 0.605 175.622 174.900 0.195 0.000 1.233 13 G CA 0.169 45.364 45.100 0.159 0.000 0.936 13 G HN 1.301 9.591 8.290 -0.000 0.000 0.571 14 I N 1.563 122.176 120.570 0.072 0.000 2.163 14 I HA -0.110 4.063 4.170 0.005 0.000 0.243 14 I C 3.128 179.166 176.117 -0.132 0.000 1.085 14 I CA 2.156 63.438 61.300 -0.031 0.000 1.347 14 I CB -0.804 37.157 38.000 -0.066 0.000 1.044 14 I HN 0.699 8.909 8.210 -0.000 0.000 0.408 15 G N 0.921 109.645 108.800 -0.127 0.000 2.440 15 G HA2 -0.262 3.701 3.960 0.005 0.000 0.218 15 G HA3 -0.262 3.701 3.960 0.005 0.000 0.218 15 G C 1.761 176.555 174.900 -0.177 0.000 1.154 15 G CA 0.769 45.765 45.100 -0.174 0.000 0.767 15 G HN 0.358 8.648 8.290 -0.000 0.000 0.552 16 L N -0.525 120.605 121.223 -0.156 0.000 1.994 16 L HA -0.085 4.259 4.340 0.005 0.000 0.208 16 L C 2.811 179.503 176.870 -0.296 0.000 1.071 16 L CA 1.970 56.659 54.840 -0.252 0.000 0.745 16 L CB -0.296 41.582 42.059 -0.302 0.000 0.892 16 L HN 0.323 8.553 8.230 -0.000 0.000 0.431 17 H N -1.053 117.931 119.070 -0.142 0.000 2.389 17 H HA -0.179 4.380 4.556 0.004 0.000 0.299 17 H C 1.818 177.041 175.328 -0.175 0.000 1.081 17 H CA 1.729 57.697 56.048 -0.133 0.000 1.345 17 H CB -0.118 29.586 29.762 -0.097 0.000 1.393 17 H HN 0.261 8.541 8.280 -0.000 0.000 0.520 18 L N 0.697 121.835 121.223 -0.141 0.000 2.046 18 L HA -0.109 4.234 4.340 0.005 0.000 0.208 18 L C 2.366 179.098 176.870 -0.230 0.000 1.077 18 L CA 1.753 56.446 54.840 -0.245 0.000 0.747 18 L CB -0.942 40.851 42.059 -0.443 0.000 0.896 18 L HN 0.259 8.489 8.230 -0.000 0.000 0.432 19 A N -0.672 122.012 122.820 -0.226 0.000 1.883 19 A HA -0.204 4.119 4.320 0.005 0.000 0.217 19 A C 2.266 179.733 177.584 -0.196 0.000 1.186 19 A CA 2.763 54.669 52.037 -0.218 0.000 0.624 19 A CB -1.383 17.478 19.000 -0.231 0.000 0.822 19 A HN 0.537 8.687 8.150 -0.000 0.000 0.444 20 V N -2.223 117.580 119.914 -0.185 0.000 2.719 20 V HA -0.062 4.061 4.120 0.005 0.000 0.252 20 V C 2.335 178.374 176.094 -0.092 0.000 1.065 20 V CA 2.021 64.237 62.300 -0.140 0.000 1.086 20 V CB -0.968 30.770 31.823 -0.142 0.000 0.700 20 V HN 0.467 8.657 8.190 -0.000 0.000 0.467 21 R N 1.244 121.686 120.500 -0.096 0.000 2.080 21 R HA -0.031 4.312 4.340 0.005 0.000 0.236 21 R C 2.080 178.323 176.300 -0.095 0.000 1.137 21 R CA 2.245 58.300 56.100 -0.076 0.000 0.943 21 R CB -1.093 29.156 30.300 -0.086 0.000 0.846 21 R HN 0.576 8.846 8.270 -0.000 0.000 0.431 22 L N -0.197 120.913 121.223 -0.189 0.000 2.017 22 L HA -0.064 4.279 4.340 0.005 0.000 0.208 22 L C 2.554 179.420 176.870 -0.006 0.000 1.073 22 L CA 1.435 56.112 54.840 -0.272 0.000 0.745 22 L CB -0.697 41.049 42.059 -0.521 0.000 0.894 22 L HN 0.368 8.598 8.230 -0.000 0.000 0.432 23 A N -0.054 122.744 122.820 -0.036 0.000 1.969 23 A HA -0.159 4.164 4.320 0.005 0.000 0.218 23 A C 2.397 180.004 177.584 0.039 0.000 1.169 23 A CA 1.743 53.787 52.037 0.011 0.000 0.635 23 A CB -0.483 18.485 19.000 -0.054 0.000 0.810 23 A HN 0.515 8.665 8.150 -0.000 0.000 0.445 24 S N -0.527 115.186 115.700 0.023 0.000 2.575 24 S HA 0.069 4.542 4.470 0.005 0.000 0.215 24 S C 0.322 174.955 174.600 0.056 0.000 0.966 24 S CA 0.242 58.461 58.200 0.032 0.000 0.911 24 S CB -0.599 62.608 63.200 0.013 0.000 0.780 24 S HN 0.453 8.763 8.310 -0.000 0.000 0.514 25 D N 3.584 124.045 120.400 0.101 0.000 2.662 25 D HA 0.085 4.729 4.640 0.005 0.000 0.233 25 D C -1.419 174.932 176.300 0.084 0.000 1.129 25 D CA -1.015 53.064 54.000 0.132 0.000 0.851 25 D CB 0.807 41.783 40.800 0.292 0.000 1.152 25 D HN 0.058 8.428 8.370 -0.000 0.000 0.507 26 P HA -0.198 4.222 4.420 -0.000 0.000 0.217 26 P C 1.122 178.434 177.300 0.020 0.000 1.148 26 P CA 1.291 64.411 63.100 0.033 0.000 0.828 26 P CB -0.002 31.714 31.700 0.027 0.000 0.783 27 S N -1.339 114.372 115.700 0.017 0.000 2.515 27 S HA -0.141 4.332 4.470 0.005 0.000 0.231 27 S C 1.085 175.657 174.600 -0.046 0.000 0.987 27 S CA 0.357 58.544 58.200 -0.022 0.000 0.936 27 S CB -1.097 62.075 63.200 -0.045 0.000 0.766 27 S HN 0.213 8.523 8.310 -0.000 0.000 0.528 28 Q N 0.176 119.965 119.800 -0.017 0.000 2.461 28 Q HA -0.173 4.170 4.340 0.005 0.000 0.273 28 Q C 0.728 176.662 176.000 -0.111 0.000 1.163 28 Q CA 0.662 56.450 55.803 -0.025 0.000 0.929 28 Q CB -2.337 26.391 28.738 -0.016 0.000 1.334 28 Q HN 0.714 8.984 8.270 -0.000 0.000 0.499 29 S N -0.816 114.722 115.700 -0.271 0.000 2.481 29 S HA 0.030 4.503 4.470 0.005 0.000 0.231 29 S C 0.240 174.480 174.600 -0.601 0.000 0.996 29 S CA 0.686 58.564 58.200 -0.538 0.000 0.942 29 S CB 0.125 62.786 63.200 -0.899 0.000 0.768 29 S HN 0.337 8.647 8.310 -0.000 0.000 0.520 30 F N 1.536 121.479 119.950 -0.012 0.000 2.495 30 F HA 0.619 5.150 4.527 0.007 0.000 0.327 30 F C -0.016 175.763 175.800 -0.035 0.000 1.103 30 F CA -1.502 56.486 58.000 -0.018 0.000 0.949 30 F CB 1.184 40.168 39.000 -0.026 0.000 1.142 30 F HN -0.278 8.022 8.300 -0.000 0.000 0.457 31 K N 2.399 122.885 120.400 0.143 0.000 2.265 31 K HA 0.678 5.001 4.320 0.005 0.000 0.267 31 K C -1.769 174.811 176.600 -0.032 0.000 0.994 31 K CA -0.406 55.889 56.287 0.012 0.000 0.860 31 K CB 1.214 33.711 32.500 -0.005 0.000 1.099 31 K HN 0.457 8.707 8.250 -0.000 0.000 0.448 32 V N 5.980 125.811 119.914 -0.138 0.000 2.417 32 V HA 0.352 4.475 4.120 0.005 0.000 0.291 32 V C -0.970 174.942 176.094 -0.304 0.000 1.024 32 V CA -0.767 61.445 62.300 -0.146 0.000 0.861 32 V CB 0.874 32.624 31.823 -0.122 0.000 0.985 32 V HN 0.639 8.829 8.190 -0.000 0.000 0.436 33 Y N 3.188 123.470 120.300 -0.031 0.000 2.518 33 Y HA 0.595 5.148 4.550 0.005 0.000 0.344 33 Y C 0.742 176.596 175.900 -0.078 0.000 0.982 33 Y CA -0.368 57.712 58.100 -0.034 0.000 1.234 33 Y CB 1.118 39.573 38.460 -0.009 0.000 1.114 33 Y HN 0.703 8.983 8.280 -0.000 0.000 0.515 34 A N 3.067 125.876 122.820 -0.019 0.000 2.269 34 A HA 0.516 4.839 4.320 0.005 0.000 0.302 34 A C 0.347 177.910 177.584 -0.036 0.000 1.266 34 A CA -0.462 51.525 52.037 -0.084 0.000 0.894 34 A CB -0.106 18.772 19.000 -0.202 0.000 1.147 34 A HN 0.663 8.813 8.150 -0.000 0.000 0.537 35 T N 1.301 115.841 114.554 -0.025 0.000 2.925 35 T HA 0.781 5.134 4.350 0.005 0.000 0.285 35 T C -0.431 174.259 174.700 -0.018 0.000 1.021 35 T CA -0.720 61.381 62.100 0.001 0.000 1.042 35 T CB 0.773 69.653 68.868 0.018 0.000 1.037 35 T HN 0.479 8.719 8.240 -0.000 0.000 0.481 36 L N 1.779 123.003 121.223 0.001 0.000 2.466 36 L HA 0.512 4.855 4.340 0.005 0.000 0.258 36 L C 1.315 178.193 176.870 0.014 0.000 0.973 36 L CA -0.989 53.849 54.840 -0.003 0.000 0.826 36 L CB 2.115 44.170 42.059 -0.008 0.000 1.372 36 L HN 0.785 9.015 8.230 -0.000 0.000 0.409 37 R N 0.154 120.662 120.500 0.014 0.000 2.073 37 R HA 0.001 4.344 4.340 0.005 0.000 0.229 37 R C -0.446 175.868 176.300 0.024 0.000 1.120 37 R CA 1.083 57.196 56.100 0.021 0.000 0.967 37 R CB 0.432 30.745 30.300 0.020 0.000 0.862 37 R HN 0.637 8.907 8.270 -0.000 0.000 0.436 38 D N 0.343 120.757 120.400 0.023 0.000 2.481 38 D HA 0.114 4.757 4.640 0.005 0.000 0.246 38 D C 0.703 177.023 176.300 0.033 0.000 1.109 38 D CA -0.259 53.757 54.000 0.027 0.000 0.845 38 D CB 1.972 42.786 40.800 0.024 0.000 1.160 38 D HN 0.071 8.441 8.370 -0.000 0.000 0.534 39 L N 2.046 123.294 121.223 0.042 0.000 2.187 39 L HA -0.217 4.126 4.340 0.005 0.000 0.213 39 L C 2.406 179.313 176.870 0.062 0.000 1.100 39 L CA 1.162 56.038 54.840 0.059 0.000 0.765 39 L CB -0.360 41.739 42.059 0.067 0.000 0.904 39 L HN 0.350 8.580 8.230 -0.000 0.000 0.437 40 K N 0.015 120.443 120.400 0.046 0.000 2.360 40 K HA -0.152 4.172 4.320 0.005 0.000 0.201 40 K C 1.559 178.185 176.600 0.043 0.000 1.046 40 K CA 1.673 57.986 56.287 0.043 0.000 0.940 40 K CB -0.576 31.943 32.500 0.032 0.000 0.748 40 K HN 0.358 8.608 8.250 -0.000 0.000 0.465 41 T N -1.369 113.207 114.554 0.037 0.000 3.107 41 T HA -0.009 4.344 4.350 0.005 0.000 0.249 41 T C 1.710 176.426 174.700 0.026 0.000 1.096 41 T CA 0.080 62.195 62.100 0.026 0.000 1.012 41 T CB 0.105 68.979 68.868 0.010 0.000 0.977 41 T HN 0.555 8.795 8.240 -0.000 0.000 0.527 42 Q N 0.947 120.783 119.800 0.060 0.000 2.436 42 Q HA 0.123 4.466 4.340 0.005 0.000 0.209 42 Q C 2.274 178.357 176.000 0.138 0.000 0.965 42 Q CA 1.093 56.940 55.803 0.074 0.000 0.910 42 Q CB -0.873 27.974 28.738 0.181 0.000 0.980 42 Q HN 0.497 8.767 8.270 -0.000 0.000 0.491 43 G N 1.770 110.657 108.800 0.145 0.000 2.440 43 G HA2 -0.275 3.688 3.960 0.005 0.000 0.218 43 G HA3 -0.275 3.688 3.960 0.005 0.000 0.218 43 G C 1.571 176.532 174.900 0.102 0.000 1.154 43 G CA 0.736 45.932 45.100 0.160 0.000 0.767 43 G HN 0.292 8.582 8.290 -0.000 0.000 0.552 44 R N -0.662 119.853 120.500 0.025 0.000 2.120 44 R HA -0.000 4.343 4.340 0.005 0.000 0.234 44 R C 2.498 178.748 176.300 -0.083 0.000 1.123 44 R CA 1.119 57.205 56.100 -0.023 0.000 0.975 44 R CB -0.373 29.904 30.300 -0.039 0.000 0.866 44 R HN 0.415 8.685 8.270 -0.000 0.000 0.446 45 L N -0.488 120.646 121.223 -0.148 0.000 2.056 45 L HA -0.094 4.249 4.340 0.005 0.000 0.207 45 L C 1.552 178.254 176.870 -0.281 0.000 1.078 45 L CA 1.663 56.325 54.840 -0.297 0.000 0.749 45 L CB -0.374 41.417 42.059 -0.447 0.000 0.901 45 L HN 0.157 8.387 8.230 -0.000 0.000 0.433 46 W N 0.253 121.523 121.300 -0.051 0.000 2.436 46 W HA -0.095 4.569 4.660 0.007 0.000 0.284 46 W C 2.603 179.099 176.519 -0.039 0.000 1.225 46 W CA 1.042 58.362 57.345 -0.041 0.000 1.271 46 W CB -0.075 29.368 29.460 -0.029 0.000 1.114 46 W HN 0.285 8.465 8.180 -0.000 0.000 0.559 47 E N 0.780 121.076 120.200 0.159 0.000 2.051 47 E HA -0.240 4.113 4.350 0.005 0.000 0.192 47 E C 2.268 178.890 176.600 0.036 0.000 0.991 47 E CA 1.577 58.027 56.400 0.082 0.000 0.799 47 E CB -0.239 29.489 29.700 0.047 0.000 0.748 47 E HN 0.173 8.533 8.360 -0.000 0.000 0.449 48 A N 1.208 124.015 122.820 -0.021 0.000 1.933 48 A HA -0.071 4.253 4.320 0.005 0.000 0.218 48 A C 2.396 179.959 177.584 -0.035 0.000 1.175 48 A CA 1.744 53.746 52.037 -0.058 0.000 0.628 48 A CB -0.720 18.183 19.000 -0.162 0.000 0.814 48 A HN 0.424 8.574 8.150 -0.000 0.000 0.444 49 A N -0.205 122.599 122.820 -0.027 0.000 1.902 49 A HA -0.166 4.157 4.320 0.005 0.000 0.217 49 A C 2.188 179.814 177.584 0.071 0.000 1.181 49 A CA 2.102 54.145 52.037 0.011 0.000 0.623 49 A CB -0.425 18.598 19.000 0.039 0.000 0.818 49 A HN 0.476 8.626 8.150 -0.000 0.000 0.443 50 R N -0.005 120.556 120.500 0.101 0.000 2.075 50 R HA 0.002 4.345 4.340 0.005 0.000 0.232 50 R C 2.170 178.497 176.300 0.044 0.000 1.126 50 R CA 1.784 57.931 56.100 0.078 0.000 0.963 50 R CB -0.731 29.616 30.300 0.078 0.000 0.858 50 R HN 0.391 8.661 8.270 -0.000 0.000 0.435 51 A N 0.121 122.960 122.820 0.033 0.000 1.933 51 A HA -0.065 4.258 4.320 0.005 0.000 0.218 51 A C 1.963 179.559 177.584 0.019 0.000 1.175 51 A CA 1.295 53.345 52.037 0.022 0.000 0.628 51 A CB -0.391 18.619 19.000 0.016 0.000 0.814 51 A HN 0.362 8.512 8.150 -0.000 0.000 0.444 52 L N -1.623 119.610 121.223 0.016 0.000 2.592 52 L HA 0.268 4.612 4.340 0.005 0.000 0.227 52 L C 1.290 178.172 176.870 0.020 0.000 1.127 52 L CA 0.331 55.179 54.840 0.014 0.000 0.884 52 L CB -0.229 41.832 42.059 0.004 0.000 1.065 52 L HN 0.527 8.757 8.230 -0.000 0.000 0.457 53 A N -0.553 122.284 122.820 0.028 0.000 2.739 53 A HA -0.222 4.101 4.320 0.005 0.000 0.296 53 A C 0.568 178.173 177.584 0.036 0.000 1.488 53 A CA 0.211 52.268 52.037 0.032 0.000 0.746 53 A CB -2.784 16.231 19.000 0.024 0.000 1.047 53 A HN 0.424 8.574 8.150 -0.000 0.000 0.477 54 C N 1.034 120.360 119.300 0.043 0.000 2.590 54 C HA 0.405 4.868 4.460 0.005 0.000 0.411 54 C C -0.951 174.071 174.990 0.053 0.000 1.420 54 C CA -0.210 58.834 59.018 0.043 0.000 1.643 54 C CB -0.483 27.282 27.740 0.041 0.000 2.528 54 C HN 0.677 8.907 8.230 -0.000 0.000 0.606 55 P HA 0.173 4.593 4.420 -0.000 0.000 0.267 55 P C -2.427 174.901 177.300 0.046 0.000 1.200 55 P CA -0.795 62.327 63.100 0.036 0.000 0.772 55 P CB -0.265 31.450 31.700 0.025 0.000 0.855 56 P HA 0.069 4.489 4.420 -0.000 0.000 0.265 56 P C 0.994 178.314 177.300 0.034 0.000 1.193 56 P CA 1.097 64.222 63.100 0.041 0.000 0.765 56 P CB 0.089 31.799 31.700 0.017 0.000 0.823 57 G N 2.236 111.062 108.800 0.043 0.000 2.179 57 G HA2 -0.309 3.655 3.960 0.005 0.000 0.260 57 G HA3 -0.309 3.655 3.960 0.005 0.000 0.260 57 G C 1.101 175.998 174.900 -0.005 0.000 0.977 57 G CA 0.580 45.691 45.100 0.019 0.000 0.641 57 G HN 0.621 8.911 8.290 -0.000 0.000 0.533 58 S N -1.457 114.249 115.700 0.011 0.000 2.478 58 S HA 0.562 5.036 4.470 0.005 0.000 0.222 58 S C 0.590 175.156 174.600 -0.056 0.000 1.008 58 S CA 1.111 59.305 58.200 -0.010 0.000 0.928 58 S CB 0.521 63.731 63.200 0.017 0.000 0.781 58 S HN 1.302 9.612 8.310 -0.000 0.000 0.518 59 L N 1.653 122.854 121.223 -0.037 0.000 2.436 59 L HA 0.669 5.012 4.340 0.005 0.000 0.268 59 L C -1.702 175.160 176.870 -0.013 0.000 0.974 59 L CA -0.275 54.505 54.840 -0.100 0.000 0.826 59 L CB 2.042 44.016 42.059 -0.143 0.000 1.291 59 L HN -0.021 8.209 8.230 -0.000 0.000 0.406 60 E N 2.241 122.372 120.200 -0.115 0.000 2.314 60 E HA 0.545 4.899 4.350 0.005 0.000 0.272 60 E C -1.028 175.593 176.600 0.035 0.000 0.884 60 E CA -0.552 55.875 56.400 0.045 0.000 0.753 60 E CB 2.138 31.821 29.700 -0.029 0.000 1.213 60 E HN 0.655 9.015 8.360 -0.000 0.000 0.432 61 T N -0.170 114.479 114.554 0.159 0.000 2.867 61 T HA 0.760 5.114 4.350 0.005 0.000 0.282 61 T C 0.291 175.087 174.700 0.160 0.000 1.000 61 T CA -0.738 61.424 62.100 0.104 0.000 1.042 61 T CB 0.694 69.633 68.868 0.119 0.000 0.973 61 T HN 0.240 8.480 8.240 -0.000 0.000 0.465 62 L N 1.690 122.989 121.223 0.127 0.000 2.370 62 L HA 0.507 4.850 4.340 0.005 0.000 0.266 62 L C 0.187 177.104 176.870 0.078 0.000 1.002 62 L CA -1.131 53.779 54.840 0.117 0.000 0.818 62 L CB 2.309 44.441 42.059 0.122 0.000 1.325 62 L HN 0.630 8.860 8.230 -0.000 0.000 0.418 63 Q N 2.990 122.832 119.800 0.069 0.000 2.286 63 Q HA 0.509 4.852 4.340 0.005 0.000 0.257 63 Q C -1.468 174.560 176.000 0.047 0.000 0.941 63 Q CA -0.208 55.626 55.803 0.052 0.000 0.912 63 Q CB 1.546 30.313 28.738 0.048 0.000 1.192 63 Q HN 0.528 8.798 8.270 -0.000 0.000 0.410 64 L N 4.172 125.418 121.223 0.040 0.000 2.516 64 L HA 0.344 4.687 4.340 0.005 0.000 0.267 64 L C -1.651 175.240 176.870 0.034 0.000 0.957 64 L CA -0.539 54.325 54.840 0.041 0.000 0.860 64 L CB 1.918 44.005 42.059 0.046 0.000 1.265 64 L HN 0.532 8.762 8.230 -0.000 0.000 0.403 65 D N 3.462 123.882 120.400 0.034 0.000 2.392 65 D HA 0.197 4.841 4.640 0.005 0.000 0.228 65 D C 0.927 177.246 176.300 0.032 0.000 1.074 65 D CA -0.413 53.605 54.000 0.030 0.000 0.838 65 D CB 1.978 42.794 40.800 0.026 0.000 1.067 65 D HN 0.367 8.737 8.370 -0.000 0.000 0.511 66 V N 2.748 122.681 119.914 0.033 0.000 3.305 66 V HA 0.004 4.127 4.120 0.005 0.000 0.269 66 V C 1.610 177.722 176.094 0.031 0.000 1.157 66 V CA 0.787 63.108 62.300 0.036 0.000 1.157 66 V CB -0.675 31.169 31.823 0.035 0.000 0.772 66 V HN 0.409 8.599 8.190 -0.000 0.000 0.498 67 R N 0.900 121.416 120.500 0.027 0.000 2.299 67 R HA 0.151 4.494 4.340 0.005 0.000 0.197 67 R C 0.196 176.508 176.300 0.020 0.000 0.971 67 R CA 0.705 56.819 56.100 0.023 0.000 1.030 67 R CB -0.027 30.286 30.300 0.022 0.000 0.932 67 R HN 0.565 8.835 8.270 -0.000 0.000 0.477 68 D N -0.056 120.357 120.400 0.021 0.000 2.473 68 D HA 0.041 4.684 4.640 0.005 0.000 0.253 68 D C 0.743 177.054 176.300 0.017 0.000 1.233 68 D CA -0.352 53.658 54.000 0.017 0.000 0.908 68 D CB 1.481 42.291 40.800 0.017 0.000 1.170 68 D HN -0.043 8.327 8.370 -0.000 0.000 0.558 69 S N 3.529 119.235 115.700 0.011 0.000 2.442 69 S HA -0.182 4.291 4.470 0.005 0.000 0.236 69 S C 1.455 176.054 174.600 -0.002 0.000 1.007 69 S CA 0.710 58.914 58.200 0.006 0.000 0.965 69 S CB -0.115 63.084 63.200 -0.002 0.000 0.773 69 S HN 0.489 8.799 8.310 -0.000 0.000 0.504 70 K N 1.115 121.515 120.400 -0.000 0.000 2.097 70 K HA 0.013 4.336 4.320 0.005 0.000 0.205 70 K C 2.510 179.111 176.600 0.002 0.000 1.050 70 K CA 1.210 57.495 56.287 -0.004 0.000 0.938 70 K CB -0.451 32.048 32.500 -0.001 0.000 0.718 70 K HN 0.423 8.673 8.250 -0.000 0.000 0.442 71 S N 0.814 116.522 115.700 0.012 0.000 2.383 71 S HA -0.093 4.380 4.470 0.005 0.000 0.227 71 S C 2.046 176.665 174.600 0.032 0.000 1.026 71 S CA 0.804 59.017 58.200 0.022 0.000 0.981 71 S CB -0.114 63.102 63.200 0.027 0.000 0.818 71 S HN 0.064 8.374 8.310 -0.000 0.000 0.472 72 V N 1.967 121.903 119.914 0.036 0.000 2.295 72 V HA -0.132 3.991 4.120 0.005 0.000 0.246 72 V C 2.833 178.937 176.094 0.017 0.000 1.049 72 V CA 1.822 64.159 62.300 0.062 0.000 1.024 72 V CB -1.286 30.577 31.823 0.066 0.000 0.648 72 V HN 0.596 8.786 8.190 -0.000 0.000 0.447 73 A N -0.121 122.681 122.820 -0.030 0.000 1.933 73 A HA -0.091 4.232 4.320 0.005 0.000 0.218 73 A C 2.411 179.964 177.584 -0.052 0.000 1.175 73 A CA 1.997 53.989 52.037 -0.076 0.000 0.628 73 A CB -0.758 18.201 19.000 -0.067 0.000 0.814 73 A HN 0.571 8.721 8.150 -0.000 0.000 0.444 74 A N -0.163 122.646 122.820 -0.019 0.000 1.933 74 A HA 0.155 4.479 4.320 0.005 0.000 0.218 74 A C 2.466 180.050 177.584 0.000 0.000 1.175 74 A CA 2.065 54.097 52.037 -0.008 0.000 0.628 74 A CB -0.893 18.110 19.000 0.005 0.000 0.814 74 A HN 1.024 9.174 8.150 -0.000 0.000 0.444 75 A N -0.437 122.396 122.820 0.021 0.000 1.929 75 A HA -0.092 4.231 4.320 0.005 0.000 0.216 75 A C 2.230 179.828 177.584 0.023 0.000 1.176 75 A CA 1.502 53.560 52.037 0.035 0.000 0.628 75 A CB -0.464 18.579 19.000 0.072 0.000 0.816 75 A HN 0.560 8.710 8.150 -0.000 0.000 0.444 76 R N 0.649 121.171 120.500 0.036 0.000 2.081 76 R HA -0.208 4.135 4.340 0.005 0.000 0.235 76 R C 2.131 178.383 176.300 -0.080 0.000 1.131 76 R CA 1.919 58.002 56.100 -0.028 0.000 0.960 76 R CB -0.379 29.700 30.300 -0.369 0.000 0.856 76 R HN 0.786 9.056 8.270 -0.000 0.000 0.436 77 E N 0.003 120.158 120.200 -0.075 0.000 2.204 77 E HA -0.190 4.163 4.350 0.005 0.000 0.195 77 E C 1.512 178.084 176.600 -0.047 0.000 0.990 77 E CA 0.760 57.126 56.400 -0.058 0.000 0.821 77 E CB -0.151 29.523 29.700 -0.043 0.000 0.750 77 E HN 0.257 8.617 8.360 -0.000 0.000 0.477 78 R N 0.959 121.427 120.500 -0.053 0.000 2.307 78 R HA 0.087 4.430 4.340 0.005 0.000 0.199 78 R C 0.227 176.441 176.300 -0.144 0.000 1.000 78 R CA 0.210 56.281 56.100 -0.048 0.000 1.023 78 R CB 0.158 30.453 30.300 -0.008 0.000 0.908 78 R HN 0.098 8.368 8.270 -0.000 0.000 0.473 79 V N 3.139 122.904 119.914 -0.249 0.000 2.341 79 V HA -0.050 4.074 4.120 0.005 0.000 0.248 79 V C 1.877 177.926 176.094 -0.076 0.000 1.107 79 V CA 0.493 62.557 62.300 -0.393 0.000 1.069 79 V CB 0.291 31.913 31.823 -0.334 0.000 1.177 79 V HN 0.378 8.568 8.190 -0.000 0.000 0.492 80 T N 1.087 115.674 114.554 0.056 0.000 2.849 80 T HA -0.204 4.149 4.350 0.005 0.000 0.270 80 T C 1.323 176.074 174.700 0.086 0.000 1.066 80 T CA 1.386 63.539 62.100 0.089 0.000 1.130 80 T CB -0.123 68.823 68.868 0.130 0.000 0.864 80 T HN 0.567 8.807 8.240 -0.000 0.000 0.481 81 E N 1.282 121.553 120.200 0.118 0.000 2.418 81 E HA 0.290 4.643 4.350 0.005 0.000 0.197 81 E C 1.735 178.376 176.600 0.067 0.000 1.026 81 E CA 0.648 57.108 56.400 0.100 0.000 0.862 81 E CB -0.796 28.985 29.700 0.135 0.000 0.799 81 E HN 0.699 9.059 8.360 -0.000 0.000 0.518 82 G N 1.222 110.050 108.800 0.047 0.000 2.153 82 G HA2 -0.378 3.585 3.960 0.005 0.000 0.252 82 G HA3 -0.378 3.585 3.960 0.005 0.000 0.252 82 G C 0.100 175.027 174.900 0.045 0.000 0.994 82 G CA 0.749 45.868 45.100 0.032 0.000 0.698 82 G HN 0.400 8.690 8.290 -0.000 0.000 0.521 83 R N -2.461 118.080 120.500 0.069 0.000 2.716 83 R HA 0.745 5.088 4.340 0.005 0.000 0.271 83 R C -1.584 174.787 176.300 0.118 0.000 1.028 83 R CA -1.079 55.075 56.100 0.090 0.000 0.883 83 R CB 1.510 31.858 30.300 0.079 0.000 1.250 83 R HN 0.347 8.617 8.270 -0.000 0.000 0.465 84 V N 1.756 121.755 119.914 0.142 0.000 2.444 84 V HA 0.194 4.318 4.120 0.005 0.000 0.294 84 V C -0.267 175.888 176.094 0.102 0.000 1.022 84 V CA -0.519 61.854 62.300 0.122 0.000 0.850 84 V CB 1.647 33.533 31.823 0.106 0.000 0.992 84 V HN 0.877 9.067 8.190 -0.000 0.000 0.426 85 D N 2.617 123.076 120.400 0.100 0.000 2.183 85 D HA 0.057 4.700 4.640 0.005 0.000 0.205 85 D C 0.269 176.622 176.300 0.087 0.000 0.962 85 D CA 1.308 55.367 54.000 0.098 0.000 0.849 85 D CB 1.052 41.917 40.800 0.110 0.000 0.978 85 D HN 0.335 8.705 8.370 -0.000 0.000 0.488 86 V N 1.899 121.856 119.914 0.071 0.000 2.525 86 V HA 0.264 4.387 4.120 0.005 0.000 0.299 86 V C -0.760 175.321 176.094 -0.022 0.000 1.034 86 V CA -0.888 61.437 62.300 0.043 0.000 0.863 86 V CB 2.509 34.367 31.823 0.059 0.000 0.999 86 V HN -0.065 8.125 8.190 -0.000 0.000 0.423 87 L N 6.677 127.867 121.223 -0.054 0.000 2.287 87 L HA 0.750 5.093 4.340 0.005 0.000 0.287 87 L C -0.638 176.186 176.870 -0.077 0.000 1.022 87 L CA 0.006 54.758 54.840 -0.147 0.000 0.814 87 L CB 1.733 43.661 42.059 -0.219 0.000 1.217 87 L HN 0.443 8.673 8.230 -0.000 0.000 0.420 88 V N 5.001 124.866 119.914 -0.082 0.000 2.334 88 V HA 0.270 4.393 4.120 0.005 0.000 0.281 88 V C -0.369 175.709 176.094 -0.027 0.000 1.016 88 V CA -0.501 61.792 62.300 -0.012 0.000 0.832 88 V CB 1.123 32.938 31.823 -0.013 0.000 0.999 88 V HN 0.867 9.057 8.190 -0.000 0.000 0.439 89 C N 4.729 124.035 119.300 0.010 0.000 2.168 89 C HA 0.295 4.759 4.460 0.005 0.000 0.333 89 C C 1.498 176.514 174.990 0.044 0.000 1.106 89 C CA -0.280 58.742 59.018 0.007 0.000 1.574 89 C CB -1.140 26.605 27.740 0.008 0.000 2.055 89 C HN 1.015 9.245 8.230 -0.000 0.000 0.473 90 N N 1.507 120.222 118.700 0.026 0.000 2.297 90 N HA 0.161 4.904 4.740 0.005 0.000 0.208 90 N C 0.728 176.258 175.510 0.033 0.000 1.176 90 N CA 0.117 53.191 53.050 0.040 0.000 0.882 90 N CB 0.173 38.653 38.487 -0.012 0.000 1.134 90 N HN 0.635 9.015 8.380 -0.000 0.000 0.489 91 A N 0.080 122.911 122.820 0.019 0.000 2.565 91 A HA 0.523 4.846 4.320 0.005 0.000 0.237 91 A C 0.598 178.211 177.584 0.048 0.000 1.053 91 A CA 0.780 52.834 52.037 0.027 0.000 0.755 91 A CB -0.460 18.552 19.000 0.020 0.000 0.980 91 A HN 0.427 8.577 8.150 -0.000 0.000 0.506 92 G N 0.313 109.151 108.800 0.064 0.000 2.632 92 G HA2 0.534 4.498 3.960 0.005 0.000 0.292 92 G HA3 0.534 4.498 3.960 0.005 0.000 0.292 92 G C -1.878 173.089 174.900 0.112 0.000 1.465 92 G CA -0.610 44.547 45.100 0.095 0.000 0.824 92 G HN 0.603 8.893 8.290 -0.000 0.000 0.509 93 L N 0.625 121.932 121.223 0.141 0.000 2.362 93 L HA 0.832 5.176 4.340 0.005 0.000 0.271 93 L C 0.979 177.979 176.870 0.216 0.000 1.002 93 L CA -0.553 54.367 54.840 0.134 0.000 0.818 93 L CB 1.579 43.702 42.059 0.105 0.000 1.298 93 L HN 0.853 9.083 8.230 -0.000 0.000 0.420 94 G N 1.715 110.580 108.800 0.109 0.000 2.502 94 G HA2 0.609 4.572 3.960 0.005 0.000 0.305 94 G HA3 0.609 4.572 3.960 0.005 0.000 0.305 94 G C -1.737 173.202 174.900 0.066 0.000 1.190 94 G CA -0.260 44.848 45.100 0.014 0.000 0.933 94 G HN 0.493 8.783 8.290 -0.000 0.000 0.503 95 L N -0.091 121.165 121.223 0.055 0.000 2.614 95 L HA 0.619 4.962 4.340 0.005 0.000 0.264 95 L C -1.793 175.116 176.870 0.065 0.000 0.940 95 L CA -0.656 54.227 54.840 0.073 0.000 0.903 95 L CB 1.902 44.024 42.059 0.104 0.000 1.306 95 L HN 0.480 8.710 8.230 -0.000 0.000 0.410 96 L N 4.652 125.914 121.223 0.065 0.000 2.385 96 L HA 1.063 5.406 4.340 0.005 0.000 0.273 96 L C -0.111 176.787 176.870 0.047 0.000 0.990 96 L CA 0.607 55.514 54.840 0.112 0.000 0.821 96 L CB 1.722 43.892 42.059 0.184 0.000 1.279 96 L HN 0.843 9.073 8.230 -0.000 0.000 0.412 97 G N 3.660 112.399 108.800 -0.101 0.000 2.352 97 G HA2 0.218 4.182 3.960 0.005 0.000 0.302 97 G HA3 0.218 4.182 3.960 0.005 0.000 0.302 97 G C -3.362 171.395 174.900 -0.238 0.000 1.370 97 G CA -0.924 43.850 45.100 -0.543 0.000 0.918 97 G HN 0.381 8.671 8.290 -0.000 0.000 0.610 98 P HA 0.223 4.643 4.420 -0.000 0.000 0.264 98 P C 1.291 178.581 177.300 -0.016 0.000 1.193 98 P CA -0.431 62.699 63.100 0.051 0.000 0.763 98 P CB 1.006 32.718 31.700 0.020 0.000 0.810 99 L N 4.651 125.860 121.223 -0.022 0.000 2.013 99 L HA -0.242 4.101 4.340 0.005 0.000 0.212 99 L C 2.031 178.892 176.870 -0.015 0.000 1.073 99 L CA 1.966 56.788 54.840 -0.030 0.000 0.753 99 L CB -0.917 41.115 42.059 -0.046 0.000 0.890 99 L HN 0.449 8.679 8.230 -0.000 0.000 0.432 100 E N -0.390 119.808 120.200 -0.004 0.000 2.409 100 E HA -0.144 4.209 4.350 0.005 0.000 0.198 100 E C 1.664 178.268 176.600 0.008 0.000 1.024 100 E CA 1.026 57.429 56.400 0.005 0.000 0.861 100 E CB -0.366 29.343 29.700 0.015 0.000 0.788 100 E HN 0.594 8.954 8.360 -0.000 0.000 0.521 101 A N 1.147 123.968 122.820 0.001 0.000 2.218 101 A HA 0.232 4.555 4.320 0.005 0.000 0.209 101 A C 1.235 178.818 177.584 -0.002 0.000 1.168 101 A CA -0.268 51.770 52.037 0.002 0.000 0.804 101 A CB -0.116 18.878 19.000 -0.009 0.000 0.834 101 A HN 0.155 8.305 8.150 -0.000 0.000 0.482 102 L N 0.839 122.058 121.223 -0.006 0.000 2.331 102 L HA 0.411 4.754 4.340 0.005 0.000 0.278 102 L C 1.040 177.914 176.870 0.007 0.000 1.106 102 L CA -0.594 54.246 54.840 0.000 0.000 0.824 102 L CB 0.930 42.989 42.059 -0.000 0.000 1.142 102 L HN 0.291 8.521 8.230 -0.000 0.000 0.443 103 G N 1.311 110.119 108.800 0.013 0.000 2.441 103 G HA2 0.023 3.986 3.960 0.005 0.000 0.243 103 G HA3 0.023 3.986 3.960 0.005 0.000 0.243 103 G C 0.642 175.550 174.900 0.012 0.000 1.281 103 G CA -0.314 44.794 45.100 0.013 0.000 0.854 103 G HN 0.899 9.189 8.290 -0.000 0.000 0.560 104 E N 0.808 121.014 120.200 0.010 0.000 2.097 104 E HA -0.199 4.154 4.350 0.005 0.000 0.196 104 E C 1.580 178.187 176.600 0.012 0.000 1.000 104 E CA 1.708 58.113 56.400 0.009 0.000 0.804 104 E CB 0.145 29.849 29.700 0.007 0.000 0.740 104 E HN 0.612 8.972 8.360 -0.000 0.000 0.454 105 D N 0.285 120.692 120.400 0.013 0.000 2.117 105 D HA -0.176 4.467 4.640 0.005 0.000 0.197 105 D C 1.832 178.144 176.300 0.019 0.000 0.987 105 D CA 1.264 55.273 54.000 0.015 0.000 0.829 105 D CB -0.495 40.314 40.800 0.015 0.000 0.961 105 D HN 0.287 8.657 8.370 -0.000 0.000 0.460 106 A N 0.990 123.823 122.820 0.021 0.000 1.902 106 A HA -0.125 4.198 4.320 0.005 0.000 0.217 106 A C 2.573 180.175 177.584 0.030 0.000 1.181 106 A CA 1.266 53.319 52.037 0.027 0.000 0.623 106 A CB -0.798 18.219 19.000 0.028 0.000 0.818 106 A HN 0.152 8.303 8.150 -0.000 0.000 0.443 107 V N -0.140 119.788 119.914 0.023 0.000 2.261 107 V HA -0.266 3.858 4.120 0.005 0.000 0.246 107 V C 3.071 179.178 176.094 0.021 0.000 1.047 107 V CA 2.064 64.377 62.300 0.022 0.000 1.015 107 V CB -1.275 30.555 31.823 0.012 0.000 0.642 107 V HN 0.616 8.806 8.190 -0.000 0.000 0.446 108 A N -0.580 122.250 122.820 0.017 0.000 1.933 108 A HA -0.202 4.121 4.320 0.005 0.000 0.218 108 A C 2.476 180.072 177.584 0.020 0.000 1.175 108 A CA 2.177 54.223 52.037 0.016 0.000 0.628 108 A CB -0.668 18.339 19.000 0.012 0.000 0.814 108 A HN 0.508 8.658 8.150 -0.000 0.000 0.444 109 S N -0.457 115.258 115.700 0.025 0.000 2.356 109 S HA -0.141 4.332 4.470 0.005 0.000 0.223 109 S C 1.920 176.542 174.600 0.036 0.000 1.032 109 S CA 1.450 59.667 58.200 0.029 0.000 1.005 109 S CB -0.505 62.713 63.200 0.031 0.000 0.867 109 S HN 0.353 8.663 8.310 -0.000 0.000 0.449 110 V N 2.287 122.227 119.914 0.044 0.000 2.255 110 V HA -0.181 3.943 4.120 0.005 0.000 0.247 110 V C 2.221 178.340 176.094 0.042 0.000 1.051 110 V CA 1.615 63.951 62.300 0.060 0.000 1.018 110 V CB -0.728 31.143 31.823 0.081 0.000 0.641 110 V HN 0.424 8.614 8.190 -0.000 0.000 0.445 111 L N -0.144 121.096 121.223 0.029 0.000 2.042 111 L HA -0.221 4.122 4.340 0.005 0.000 0.210 111 L C 2.416 179.296 176.870 0.017 0.000 1.076 111 L CA 2.063 56.913 54.840 0.016 0.000 0.749 111 L CB -0.703 41.361 42.059 0.010 0.000 0.893 111 L HN 0.399 8.629 8.230 -0.000 0.000 0.432 112 D N -0.389 120.023 120.400 0.020 0.000 2.117 112 D HA -0.138 4.505 4.640 0.005 0.000 0.197 112 D C 2.110 178.424 176.300 0.023 0.000 0.987 112 D CA 0.963 54.974 54.000 0.019 0.000 0.829 112 D CB 0.208 41.020 40.800 0.019 0.000 0.961 112 D HN 0.015 8.385 8.370 -0.000 0.000 0.460 113 V N 0.564 120.495 119.914 0.029 0.000 2.346 113 V HA -0.121 4.002 4.120 0.005 0.000 0.244 113 V C 1.960 178.072 176.094 0.031 0.000 1.037 113 V CA 1.492 63.812 62.300 0.032 0.000 1.029 113 V CB -0.466 31.382 31.823 0.040 0.000 0.663 113 V HN 0.183 8.373 8.190 -0.000 0.000 0.454 114 N N -0.248 118.471 118.700 0.031 0.000 2.300 114 N HA -0.047 4.696 4.740 0.005 0.000 0.179 114 N C 1.438 176.953 175.510 0.009 0.000 1.016 114 N CA 1.214 54.278 53.050 0.022 0.000 0.876 114 N CB 0.079 38.573 38.487 0.012 0.000 0.979 114 N HN 0.384 8.764 8.380 -0.000 0.000 0.432 115 V N -0.634 119.284 119.914 0.008 0.000 2.735 115 V HA 0.070 4.193 4.120 0.005 0.000 0.234 115 V C 2.201 178.300 176.094 0.009 0.000 1.121 115 V CA 0.359 62.661 62.300 0.004 0.000 1.160 115 V CB -0.547 31.276 31.823 0.001 0.000 0.908 115 V HN -0.097 8.093 8.190 -0.000 0.000 0.495 116 V N 1.757 121.677 119.914 0.011 0.000 2.407 116 V HA -0.157 3.966 4.120 0.005 0.000 0.248 116 V C 2.709 178.814 176.094 0.018 0.000 1.055 116 V CA 2.294 64.602 62.300 0.013 0.000 1.049 116 V CB -1.621 30.209 31.823 0.011 0.000 0.662 116 V HN 0.616 8.806 8.190 -0.000 0.000 0.455 117 G N 0.006 108.819 108.800 0.022 0.000 2.469 117 G HA2 -0.278 3.685 3.960 0.005 0.000 0.219 117 G HA3 -0.278 3.685 3.960 0.005 0.000 0.219 117 G C 1.677 176.597 174.900 0.032 0.000 1.150 117 G CA 1.746 46.862 45.100 0.028 0.000 0.763 117 G HN 0.488 8.778 8.290 -0.000 0.000 0.561 118 T N 0.679 115.248 114.554 0.025 0.000 2.812 118 T HA -0.060 4.293 4.350 0.005 0.000 0.264 118 T C 2.564 177.281 174.700 0.028 0.000 1.042 118 T CA 1.009 63.124 62.100 0.024 0.000 1.140 118 T CB -0.242 68.635 68.868 0.015 0.000 0.870 118 T HN 0.068 8.308 8.240 -0.000 0.000 0.445 119 V N 1.937 121.863 119.914 0.020 0.000 2.252 119 V HA -0.276 3.847 4.120 0.005 0.000 0.249 119 V C 2.631 178.743 176.094 0.029 0.000 1.056 119 V CA 1.818 64.129 62.300 0.018 0.000 1.022 119 V CB -0.617 31.212 31.823 0.009 0.000 0.641 119 V HN 0.424 8.614 8.190 -0.000 0.000 0.445 120 R N -0.871 119.649 120.500 0.033 0.000 2.091 120 R HA -0.173 4.170 4.340 0.005 0.000 0.238 120 R C 2.326 178.674 176.300 0.080 0.000 1.136 120 R CA 1.623 57.748 56.100 0.041 0.000 0.959 120 R CB -0.402 29.921 30.300 0.038 0.000 0.856 120 R HN 0.388 8.658 8.270 -0.000 0.000 0.437 121 M N 0.512 120.179 119.600 0.111 0.000 2.086 121 M HA -0.124 4.360 4.480 0.005 0.000 0.261 121 M C 2.383 178.829 176.300 0.244 0.000 1.067 121 M CA 1.596 57.024 55.300 0.213 0.000 1.116 121 M CB -0.869 31.802 32.600 0.118 0.000 1.348 121 M HN 0.155 8.445 8.290 -0.000 0.000 0.407 122 L N -0.309 120.987 121.223 0.121 0.000 2.083 122 L HA -0.241 4.102 4.340 0.005 0.000 0.209 122 L C 2.608 179.516 176.870 0.064 0.000 1.083 122 L CA 1.220 56.113 54.840 0.089 0.000 0.752 122 L CB -0.681 41.399 42.059 0.034 0.000 0.899 122 L HN 0.403 8.633 8.230 -0.000 0.000 0.433 123 Q N -0.304 119.519 119.800 0.037 0.000 2.084 123 Q HA -0.177 4.166 4.340 0.005 0.000 0.202 123 Q C 2.472 178.453 176.000 -0.031 0.000 0.978 123 Q CA 1.552 57.353 55.803 -0.004 0.000 0.844 123 Q CB -0.261 28.470 28.738 -0.011 0.000 0.898 123 Q HN 0.571 8.841 8.270 -0.000 0.000 0.426 124 A N -0.009 122.790 122.820 -0.034 0.000 1.898 124 A HA -0.125 4.198 4.320 0.005 0.000 0.216 124 A C 1.554 178.935 177.584 -0.339 0.000 1.181 124 A CA 1.237 53.147 52.037 -0.212 0.000 0.620 124 A CB -0.379 18.449 19.000 -0.286 0.000 0.819 124 A HN 0.329 8.479 8.150 -0.000 0.000 0.442 125 F N -1.181 118.753 119.950 -0.027 0.000 2.622 125 F HA 0.263 4.791 4.527 0.002 0.000 0.288 125 F C 1.865 177.648 175.800 -0.028 0.000 1.120 125 F CA 0.024 58.010 58.000 -0.024 0.000 1.423 125 F CB -0.068 38.921 39.000 -0.018 0.000 1.127 125 F HN 0.026 8.326 8.300 -0.000 0.000 0.588 126 L N 0.480 121.769 121.223 0.110 0.000 2.046 126 L HA -0.140 4.203 4.340 0.005 0.000 0.208 126 L C -0.516 176.344 176.870 -0.016 0.000 1.077 126 L CA 1.396 56.251 54.840 0.025 0.000 0.747 126 L CB -1.770 40.270 42.059 -0.031 0.000 0.896 126 L HN 0.052 8.282 8.230 -0.000 0.000 0.432 127 P HA -0.224 4.196 4.420 -0.000 0.000 0.214 127 P C 1.049 178.344 177.300 -0.008 0.000 1.163 127 P CA 1.710 64.788 63.100 -0.036 0.000 0.889 127 P CB 0.019 31.691 31.700 -0.046 0.000 0.790 128 D N -1.703 118.697 120.400 -0.000 0.000 2.219 128 D HA -0.123 4.520 4.640 0.005 0.000 0.205 128 D C 1.853 178.180 176.300 0.045 0.000 0.970 128 D CA 1.052 55.064 54.000 0.020 0.000 0.851 128 D CB -0.484 40.326 40.800 0.017 0.000 0.943 128 D HN 0.044 8.414 8.370 -0.000 0.000 0.488 129 M N -0.315 119.316 119.600 0.052 0.000 2.132 129 M HA -0.102 4.381 4.480 0.005 0.000 0.263 129 M C 2.104 178.439 176.300 0.059 0.000 1.065 129 M CA 1.281 56.615 55.300 0.057 0.000 1.122 129 M CB -0.069 32.562 32.600 0.053 0.000 1.365 129 M HN -0.079 8.211 8.290 -0.000 0.000 0.411 130 K N -0.258 120.166 120.400 0.039 0.000 2.097 130 K HA -0.140 4.183 4.320 0.005 0.000 0.205 130 K C 2.080 178.787 176.600 0.179 0.000 1.050 130 K CA 1.020 57.374 56.287 0.111 0.000 0.938 130 K CB -0.202 32.272 32.500 -0.043 0.000 0.718 130 K HN 0.251 8.501 8.250 -0.000 0.000 0.442 131 R N 1.364 121.925 120.500 0.101 0.000 2.075 131 R HA -0.074 4.269 4.340 0.005 0.000 0.232 131 R C 1.927 178.270 176.300 0.072 0.000 1.126 131 R CA 1.368 57.518 56.100 0.084 0.000 0.963 131 R CB 0.034 30.365 30.300 0.051 0.000 0.858 131 R HN 0.065 8.335 8.270 -0.000 0.000 0.435 132 R N -0.592 119.947 120.500 0.066 0.000 2.235 132 R HA 0.018 4.361 4.340 0.005 0.000 0.213 132 R C 0.992 177.328 176.300 0.060 0.000 1.059 132 R CA 0.677 56.810 56.100 0.057 0.000 0.997 132 R CB 0.012 30.346 30.300 0.056 0.000 0.884 132 R HN 0.573 8.843 8.270 -0.000 0.000 0.462 133 G N 1.492 110.341 108.800 0.080 0.000 2.225 133 G HA2 -0.317 3.646 3.960 0.005 0.000 0.267 133 G HA3 -0.317 3.646 3.960 0.005 0.000 0.267 133 G C -0.118 174.819 174.900 0.061 0.000 1.024 133 G CA 0.714 45.860 45.100 0.077 0.000 0.784 133 G HN 0.510 8.800 8.290 -0.000 0.000 0.507 134 S N -1.880 113.858 115.700 0.064 0.000 2.552 134 S HA 0.978 5.452 4.470 0.005 0.000 0.272 134 S C -0.299 174.344 174.600 0.072 0.000 1.150 134 S CA 0.341 58.581 58.200 0.066 0.000 0.849 134 S CB 2.136 65.383 63.200 0.079 0.000 1.113 134 S HN 2.432 10.742 8.310 -0.000 0.000 0.458 135 G N 1.516 110.371 108.800 0.091 0.000 2.329 135 G HA2 0.420 4.383 3.960 0.005 0.000 0.308 135 G HA3 0.420 4.383 3.960 0.005 0.000 0.308 135 G C -2.159 172.810 174.900 0.115 0.000 1.587 135 G CA -1.103 44.053 45.100 0.094 0.000 0.978 135 G HN 0.690 8.980 8.290 -0.000 0.000 0.685 136 R N 0.087 120.652 120.500 0.109 0.000 2.599 136 R HA 0.713 5.056 4.340 0.005 0.000 0.295 136 R C -0.786 175.554 176.300 0.067 0.000 0.963 136 R CA -0.783 55.386 56.100 0.115 0.000 0.883 136 R CB 2.078 32.441 30.300 0.106 0.000 1.171 136 R HN 0.493 8.763 8.270 -0.000 0.000 0.450 137 V N 4.702 124.652 119.914 0.060 0.000 2.448 137 V HA 0.492 4.615 4.120 0.005 0.000 0.295 137 V C -0.038 176.073 176.094 0.029 0.000 1.025 137 V CA -0.780 61.538 62.300 0.030 0.000 0.859 137 V CB 1.931 33.767 31.823 0.021 0.000 0.988 137 V HN 0.500 8.690 8.190 -0.000 0.000 0.431 138 L N 5.226 126.467 121.223 0.031 0.000 2.341 138 L HA 0.745 5.088 4.340 0.005 0.000 0.278 138 L C -0.837 176.069 176.870 0.060 0.000 1.005 138 L CA -0.816 54.043 54.840 0.031 0.000 0.818 138 L CB 2.142 44.252 42.059 0.086 0.000 1.259 138 L HN 0.354 8.584 8.230 -0.000 0.000 0.418 139 V N 0.901 120.824 119.914 0.015 0.000 2.540 139 V HA 0.313 4.437 4.120 0.005 0.000 0.302 139 V C 0.106 176.229 176.094 0.048 0.000 1.035 139 V CA -0.637 61.687 62.300 0.040 0.000 0.873 139 V CB 1.986 33.810 31.823 0.001 0.000 0.992 139 V HN 0.735 8.925 8.190 -0.000 0.000 0.428 140 T N 4.362 119.003 114.554 0.146 0.000 2.769 140 T HA 0.442 4.795 4.350 0.005 0.000 0.293 140 T C 0.658 175.399 174.700 0.069 0.000 0.931 140 T CA 0.345 62.558 62.100 0.188 0.000 1.139 140 T CB 0.794 69.819 68.868 0.262 0.000 0.881 140 T HN 0.960 9.200 8.240 -0.000 0.000 0.532 141 G N 1.525 110.333 108.800 0.013 0.000 2.671 141 G HA2 0.674 4.637 3.960 0.005 0.000 0.275 141 G HA3 0.674 4.637 3.960 0.005 0.000 0.275 141 G C -0.772 174.136 174.900 0.013 0.000 1.368 141 G CA -0.637 44.447 45.100 -0.026 0.000 1.044 141 G HN 0.727 9.017 8.290 -0.000 0.000 0.543 142 S N -2.430 113.251 115.700 -0.032 0.000 2.556 142 S HA 0.278 4.751 4.470 0.005 0.000 0.271 142 S C 0.831 175.353 174.600 -0.131 0.000 1.135 142 S CA 0.072 58.273 58.200 0.001 0.000 0.858 142 S CB 1.624 64.876 63.200 0.086 0.000 1.114 142 S HN 1.108 9.418 8.310 -0.000 0.000 0.468 143 V N 4.389 124.158 119.914 -0.243 0.000 2.380 143 V HA -0.010 4.113 4.120 0.005 0.000 0.251 143 V C 2.042 178.005 176.094 -0.219 0.000 1.063 143 V CA 3.026 65.012 62.300 -0.524 0.000 1.055 143 V CB -0.989 30.388 31.823 -0.745 0.000 0.657 143 V HN 1.043 9.233 8.190 -0.000 0.000 0.455 144 G N -1.085 107.714 108.800 -0.002 0.000 2.625 144 G HA2 -0.017 3.946 3.960 0.005 0.000 0.214 144 G HA3 -0.017 3.946 3.960 0.005 0.000 0.214 144 G C 1.333 176.286 174.900 0.087 0.000 1.132 144 G CA 0.588 45.779 45.100 0.151 0.000 0.782 144 G HN 0.709 8.999 8.290 -0.000 0.000 0.538 145 G N 0.123 108.845 108.800 -0.131 0.000 2.777 145 G HA2 0.137 4.101 3.960 0.005 0.000 0.211 145 G HA3 0.137 4.101 3.960 0.005 0.000 0.211 145 G C 1.446 175.805 174.900 -0.902 0.000 1.149 145 G CA 0.090 44.990 45.100 -0.334 0.000 0.785 145 G HN 0.430 8.720 8.290 -0.000 0.000 0.536 146 L N -0.492 120.363 121.223 -0.613 0.000 2.609 146 L HA 0.478 4.821 4.340 0.005 0.000 0.230 146 L C 0.729 177.332 176.870 -0.445 0.000 1.087 146 L CA 0.098 54.590 54.840 -0.580 0.000 0.874 146 L CB 0.110 41.998 42.059 -0.285 0.000 1.114 146 L HN 0.282 8.512 8.230 -0.000 0.000 0.488 147 M N -1.603 117.892 119.600 -0.175 0.000 2.413 147 M HA 0.596 5.080 4.480 0.005 0.000 0.287 147 M C -0.520 175.983 176.300 0.338 0.000 1.186 147 M CA -0.617 54.685 55.300 0.003 0.000 0.927 147 M CB 1.553 34.015 32.600 -0.230 0.000 1.715 147 M HN -0.114 8.176 8.290 -0.000 0.000 0.478 148 G N 3.205 112.202 108.800 0.328 0.000 2.406 148 G HA2 0.569 4.532 3.960 0.005 0.000 0.251 148 G HA3 0.569 4.532 3.960 0.005 0.000 0.251 148 G C -0.907 174.170 174.900 0.295 0.000 1.271 148 G CA -0.648 44.601 45.100 0.248 0.000 0.859 148 G HN 0.707 8.997 8.290 -0.000 0.000 0.540 149 L N 4.133 125.473 121.223 0.195 0.000 2.362 149 L HA 0.420 4.763 4.340 0.005 0.000 0.275 149 L C -2.034 174.835 176.870 -0.002 0.000 0.998 149 L CA -2.275 52.660 54.840 0.157 0.000 0.820 149 L CB 2.623 44.812 42.059 0.217 0.000 1.270 149 L HN 0.351 8.581 8.230 -0.000 0.000 0.415 150 P HA 0.134 4.554 4.420 -0.000 0.000 0.271 150 P C -0.022 177.027 177.300 -0.419 0.000 1.218 150 P CA 0.001 62.946 63.100 -0.258 0.000 0.780 150 P CB 0.460 32.103 31.700 -0.095 0.000 0.901 151 F N -0.907 118.904 119.950 -0.231 0.000 2.973 151 F HA -0.226 4.304 4.527 0.006 0.000 0.299 151 F C 0.916 176.598 175.800 -0.197 0.000 0.737 151 F CA 0.912 58.761 58.000 -0.253 0.000 1.151 151 F CB -2.458 36.395 39.000 -0.244 0.000 1.440 151 F HN 0.432 8.732 8.300 -0.000 0.000 0.367 152 N N 0.318 118.993 118.700 -0.041 0.000 2.338 152 N HA 0.052 4.796 4.740 0.005 0.000 0.251 152 N C 0.799 176.362 175.510 0.088 0.000 1.199 152 N CA 0.179 53.278 53.050 0.081 0.000 0.879 152 N CB 0.219 38.801 38.487 0.159 0.000 1.159 152 N HN 0.391 8.771 8.380 -0.000 0.000 0.514 153 D N 0.639 121.038 120.400 -0.002 0.000 2.116 153 D HA -0.125 4.518 4.640 0.005 0.000 0.193 153 D C 1.822 178.111 176.300 -0.018 0.000 0.998 153 D CA 1.307 55.282 54.000 -0.043 0.000 0.836 153 D CB 0.371 41.125 40.800 -0.078 0.000 0.951 153 D HN 0.078 8.448 8.370 -0.000 0.000 0.449 154 V N 0.417 120.346 119.914 0.025 0.000 2.535 154 V HA -0.195 3.929 4.120 0.005 0.000 0.246 154 V C 2.138 178.278 176.094 0.076 0.000 1.045 154 V CA 0.807 63.126 62.300 0.032 0.000 1.058 154 V CB -0.585 31.259 31.823 0.034 0.000 0.689 154 V HN 0.114 8.304 8.190 -0.000 0.000 0.461 155 Y N 0.626 120.937 120.300 0.019 0.000 2.097 155 Y HA -0.306 4.268 4.550 0.040 0.000 0.282 155 Y C 2.589 178.530 175.900 0.067 0.000 1.152 155 Y CA 1.918 60.046 58.100 0.046 0.000 1.136 155 Y CB -0.792 37.704 38.460 0.059 0.000 0.975 155 Y HN 0.228 8.508 8.280 -0.000 0.000 0.498 156 C N 0.373 119.712 119.300 0.065 0.000 2.429 156 C HA -0.153 4.311 4.460 0.005 0.000 0.277 156 C C 3.076 178.064 174.990 -0.003 0.000 1.262 156 C CA 1.179 60.226 59.018 0.048 0.000 1.733 156 C CB -1.817 25.972 27.740 0.081 0.000 2.010 156 C HN 0.753 8.983 8.230 -0.000 0.000 0.483 157 A N 1.239 124.009 122.820 -0.083 0.000 1.892 157 A HA -0.245 4.079 4.320 0.005 0.000 0.218 157 A C 2.326 179.896 177.584 -0.023 0.000 1.188 157 A CA 2.835 54.819 52.037 -0.089 0.000 0.631 157 A CB -1.036 17.916 19.000 -0.080 0.000 0.822 157 A HN 0.735 8.885 8.150 -0.000 0.000 0.447 158 S N -0.730 114.935 115.700 -0.058 0.000 2.383 158 S HA -0.140 4.333 4.470 0.005 0.000 0.227 158 S C 1.892 176.438 174.600 -0.090 0.000 1.026 158 S CA 1.394 59.553 58.200 -0.069 0.000 0.981 158 S CB -0.232 62.920 63.200 -0.080 0.000 0.818 158 S HN 0.468 8.778 8.310 -0.000 0.000 0.472 159 K N 0.406 120.703 120.400 -0.171 0.000 2.116 159 K HA 0.153 4.476 4.320 0.005 0.000 0.203 159 K C 1.717 178.300 176.600 -0.028 0.000 1.052 159 K CA 0.689 56.877 56.287 -0.164 0.000 0.952 159 K CB -0.708 31.590 32.500 -0.336 0.000 0.729 159 K HN 0.451 8.701 8.250 -0.000 0.000 0.446 160 F N 1.709 121.576 119.950 -0.139 0.000 2.126 160 F HA -0.197 4.306 4.527 -0.040 0.000 0.299 160 F C 2.477 178.231 175.800 -0.077 0.000 1.096 160 F CA 1.346 59.289 58.000 -0.094 0.000 1.255 160 F CB -0.786 38.166 39.000 -0.079 0.000 0.997 160 F HN 0.025 8.325 8.300 -0.000 0.000 0.479 161 A N -0.091 122.798 122.820 0.115 0.000 1.940 161 A HA -0.158 4.165 4.320 0.005 0.000 0.219 161 A C 2.283 179.872 177.584 0.007 0.000 1.176 161 A CA 1.445 53.508 52.037 0.044 0.000 0.631 161 A CB -1.067 17.944 19.000 0.019 0.000 0.814 161 A HN 0.406 8.556 8.150 -0.000 0.000 0.446 162 L N -0.633 120.580 121.223 -0.016 0.000 2.093 162 L HA -0.161 4.182 4.340 0.005 0.000 0.208 162 L C 2.662 179.505 176.870 -0.045 0.000 1.085 162 L CA 1.091 55.911 54.840 -0.032 0.000 0.755 162 L CB -0.476 41.556 42.059 -0.045 0.000 0.904 162 L HN 0.406 8.636 8.230 -0.000 0.000 0.435 163 E N 0.130 120.290 120.200 -0.066 0.000 2.031 163 E HA -0.175 4.178 4.350 0.005 0.000 0.193 163 E C 2.155 178.724 176.600 -0.051 0.000 0.994 163 E CA 1.481 57.828 56.400 -0.088 0.000 0.800 163 E CB -0.477 29.129 29.700 -0.158 0.000 0.752 163 E HN 0.506 8.866 8.360 -0.000 0.000 0.447 164 G N 1.666 110.452 108.800 -0.022 0.000 2.418 164 G HA2 -0.241 3.722 3.960 0.005 0.000 0.217 164 G HA3 -0.241 3.722 3.960 0.005 0.000 0.217 164 G C 1.667 176.560 174.900 -0.011 0.000 1.158 164 G CA 0.871 45.967 45.100 -0.007 0.000 0.771 164 G HN 0.203 8.493 8.290 -0.000 0.000 0.545 165 L N 0.709 121.925 121.223 -0.011 0.000 1.989 165 L HA -0.096 4.248 4.340 0.005 0.000 0.211 165 L C 2.811 179.670 176.870 -0.018 0.000 1.071 165 L CA 1.954 56.786 54.840 -0.012 0.000 0.749 165 L CB -0.909 41.144 42.059 -0.011 0.000 0.890 165 L HN 0.264 8.494 8.230 -0.000 0.000 0.431 166 C N -0.569 118.717 119.300 -0.024 0.000 2.440 166 C HA -0.120 4.343 4.460 0.005 0.000 0.278 166 C C 2.696 177.672 174.990 -0.025 0.000 1.295 166 C CA 0.961 59.963 59.018 -0.026 0.000 1.738 166 C CB -0.856 26.863 27.740 -0.035 0.000 1.987 166 C HN 0.670 8.900 8.230 -0.000 0.000 0.492 167 E N 0.914 121.097 120.200 -0.028 0.000 2.072 167 E HA -0.153 4.201 4.350 0.005 0.000 0.191 167 E C 2.172 178.764 176.600 -0.014 0.000 0.985 167 E CA 1.309 57.695 56.400 -0.024 0.000 0.801 167 E CB 0.013 29.697 29.700 -0.027 0.000 0.750 167 E HN 0.545 8.905 8.360 -0.000 0.000 0.452 168 S N 0.771 116.464 115.700 -0.013 0.000 2.353 168 S HA -0.183 4.290 4.470 0.005 0.000 0.222 168 S C 1.961 176.554 174.600 -0.011 0.000 1.035 168 S CA 1.147 59.342 58.200 -0.009 0.000 1.025 168 S CB -0.331 62.864 63.200 -0.008 0.000 0.902 168 S HN 0.260 8.570 8.310 -0.000 0.000 0.440 169 L N 1.099 122.311 121.223 -0.018 0.000 2.042 169 L HA -0.166 4.177 4.340 0.005 0.000 0.210 169 L C 2.766 179.624 176.870 -0.021 0.000 1.076 169 L CA 1.227 56.050 54.840 -0.029 0.000 0.749 169 L CB -0.665 41.373 42.059 -0.034 0.000 0.893 169 L HN 0.341 8.571 8.230 -0.000 0.000 0.432 170 A N -0.532 122.283 122.820 -0.009 0.000 1.933 170 A HA -0.148 4.175 4.320 0.005 0.000 0.218 170 A C 2.319 179.913 177.584 0.017 0.000 1.175 170 A CA 1.660 53.700 52.037 0.005 0.000 0.628 170 A CB -0.775 18.229 19.000 0.007 0.000 0.814 170 A HN 0.214 8.364 8.150 -0.000 0.000 0.444 171 V N -0.465 119.457 119.914 0.013 0.000 2.407 171 V HA -0.225 3.898 4.120 0.005 0.000 0.248 171 V C 2.458 178.577 176.094 0.041 0.000 1.055 171 V CA 2.014 64.328 62.300 0.023 0.000 1.049 171 V CB -0.624 31.209 31.823 0.016 0.000 0.662 171 V HN 0.624 8.814 8.190 -0.000 0.000 0.455 172 L N -0.707 120.537 121.223 0.035 0.000 2.127 172 L HA 0.067 4.410 4.340 0.005 0.000 0.203 172 L C 2.038 178.982 176.870 0.124 0.000 1.080 172 L CA 1.656 56.535 54.840 0.065 0.000 0.768 172 L CB -0.340 41.725 42.059 0.010 0.000 0.924 172 L HN 0.175 8.405 8.230 -0.000 0.000 0.444 173 L N -0.976 120.274 121.223 0.046 0.000 2.376 173 L HA -0.121 4.223 4.340 0.005 0.000 0.219 173 L C 2.308 179.264 176.870 0.143 0.000 1.133 173 L CA 0.052 54.924 54.840 0.053 0.000 0.816 173 L CB -0.531 41.499 42.059 -0.049 0.000 0.933 173 L HN 0.324 8.554 8.230 -0.000 0.000 0.449 174 L N 1.645 122.930 121.223 0.104 0.000 1.963 174 L HA -0.185 4.158 4.340 0.005 0.000 0.220 174 L C -0.222 176.691 176.870 0.071 0.000 1.076 174 L CA 2.408 57.291 54.840 0.073 0.000 0.772 174 L CB -1.601 40.498 42.059 0.065 0.000 0.892 174 L HN 0.175 8.405 8.230 -0.000 0.000 0.435 175 P HA -0.147 4.273 4.420 -0.000 0.000 0.234 175 P C 1.348 178.594 177.300 -0.090 0.000 1.167 175 P CA 1.216 64.303 63.100 -0.022 0.000 0.763 175 P CB -0.212 31.437 31.700 -0.086 0.000 0.835 176 F N 0.184 120.101 119.950 -0.054 0.000 2.780 176 F HA 0.279 4.812 4.527 0.009 0.000 0.299 176 F C 1.970 177.716 175.800 -0.091 0.000 1.146 176 F CA 0.980 58.945 58.000 -0.058 0.000 1.428 176 F CB -0.759 38.209 39.000 -0.052 0.000 1.115 176 F HN 0.049 8.349 8.300 -0.000 0.000 0.583 177 G N 0.569 109.368 108.800 -0.002 0.000 2.155 177 G HA2 -0.272 3.692 3.960 0.005 0.000 0.257 177 G HA3 -0.272 3.692 3.960 0.005 0.000 0.257 177 G C -0.019 174.676 174.900 -0.341 0.000 0.983 177 G CA 0.294 45.307 45.100 -0.145 0.000 0.676 177 G HN 0.179 8.469 8.290 -0.000 0.000 0.528 178 V N 2.457 122.208 119.914 -0.272 0.000 2.398 178 V HA 0.518 4.641 4.120 0.005 0.000 0.286 178 V C 0.053 175.961 176.094 -0.310 0.000 1.026 178 V CA -0.992 61.181 62.300 -0.212 0.000 0.868 178 V CB 1.471 33.257 31.823 -0.061 0.000 0.982 178 V HN 0.351 8.541 8.190 -0.000 0.000 0.443 179 H N 5.297 124.398 119.070 0.052 0.000 2.466 179 H HA 0.567 5.125 4.556 0.004 0.000 0.338 179 H C -0.666 174.681 175.328 0.033 0.000 1.091 179 H CA -0.476 55.599 56.048 0.046 0.000 1.207 179 H CB 2.601 32.394 29.762 0.052 0.000 1.466 179 H HN 0.487 8.767 8.280 -0.000 0.000 0.493 180 L N 2.053 123.351 121.223 0.124 0.000 2.365 180 L HA 0.480 4.823 4.340 0.005 0.000 0.273 180 L C -0.744 176.165 176.870 0.065 0.000 1.000 180 L CA -0.310 54.570 54.840 0.067 0.000 0.819 180 L CB 1.431 43.505 42.059 0.026 0.000 1.284 180 L HN 0.473 8.703 8.230 -0.000 0.000 0.418 181 S N 4.442 120.168 115.700 0.044 0.000 2.549 181 S HA 0.617 5.090 4.470 0.005 0.000 0.280 181 S C -0.929 173.654 174.600 -0.027 0.000 1.109 181 S CA -0.597 57.629 58.200 0.043 0.000 0.905 181 S CB 1.957 65.247 63.200 0.151 0.000 1.081 181 S HN 0.490 8.800 8.310 -0.000 0.000 0.477 182 L N 2.625 123.806 121.223 -0.069 0.000 2.307 182 L HA 0.524 4.867 4.340 0.005 0.000 0.282 182 L C -0.725 176.029 176.870 -0.192 0.000 1.051 182 L CA -0.653 54.109 54.840 -0.131 0.000 0.804 182 L CB 0.632 42.601 42.059 -0.150 0.000 1.197 182 L HN 0.464 8.694 8.230 -0.000 0.000 0.431 183 I N 3.177 123.581 120.570 -0.276 0.000 2.330 183 I HA 0.212 4.385 4.170 0.005 0.000 0.286 183 I C -0.099 175.897 176.117 -0.202 0.000 1.025 183 I CA -0.585 60.485 61.300 -0.384 0.000 1.197 183 I CB 1.031 38.426 38.000 -1.008 0.000 1.358 183 I HN 0.537 8.747 8.210 -0.000 0.000 0.467 184 E N 5.201 125.305 120.200 -0.160 0.000 2.052 184 E HA 0.211 4.564 4.350 0.005 0.000 0.283 184 E C -0.649 176.062 176.600 0.185 0.000 1.071 184 E CA -0.158 56.232 56.400 -0.016 0.000 0.851 184 E CB 1.243 30.920 29.700 -0.039 0.000 1.066 184 E HN 0.434 8.794 8.360 -0.000 0.000 0.396 185 C N 2.772 122.165 119.300 0.154 0.000 2.388 185 C HA 0.604 5.068 4.460 0.005 0.000 0.362 185 C C 1.404 176.538 174.990 0.239 0.000 1.266 185 C CA -0.572 58.572 59.018 0.210 0.000 2.028 185 C CB 0.748 28.596 27.740 0.180 0.000 2.440 185 C HN 0.817 9.047 8.230 -0.000 0.000 0.547 186 G N 2.942 111.945 108.800 0.338 0.000 2.531 186 G HA2 0.564 4.528 3.960 0.005 0.000 0.253 186 G HA3 0.564 4.528 3.960 0.005 0.000 0.253 186 G C -2.466 172.523 174.900 0.148 0.000 1.439 186 G CA -0.440 44.828 45.100 0.280 0.000 1.056 186 G HN 0.608 8.898 8.290 -0.000 0.000 0.555 187 P HA 0.281 4.701 4.420 -0.000 0.000 0.268 187 P C -0.886 176.370 177.300 -0.074 0.000 1.205 187 P CA -0.018 63.107 63.100 0.042 0.000 0.771 187 P CB 1.375 33.056 31.700 -0.032 0.000 0.858 188 V N 3.231 123.149 119.914 0.007 0.000 2.577 188 V HA 0.163 4.286 4.120 0.005 0.000 0.303 188 V C 0.138 176.271 176.094 0.065 0.000 1.042 188 V CA -0.627 61.662 62.300 -0.019 0.000 0.872 188 V CB 1.136 32.997 31.823 0.063 0.000 0.998 188 V HN 0.549 8.739 8.190 -0.000 0.000 0.423 189 H N 3.156 122.205 119.070 -0.035 0.000 3.356 189 H HA 0.227 4.787 4.556 0.006 0.000 0.260 189 H C 0.994 176.368 175.328 0.076 0.000 1.570 189 H CA -0.022 56.077 56.048 0.085 0.000 1.547 189 H CB 0.235 29.972 29.762 -0.043 0.000 1.774 189 H HN 0.859 9.139 8.280 -0.000 0.000 0.542 199 S N 1.950 117.708 115.700 0.095 0.000 2.608 199 S HA 0.512 4.985 4.470 0.005 0.000 0.261 199 S C -1.157 173.542 174.600 0.165 0.000 1.314 199 S CA -0.564 57.698 58.200 0.104 0.000 0.992 199 S CB 1.743 64.989 63.200 0.076 0.000 0.935 199 S HN 0.250 8.560 8.310 -0.000 0.000 0.564 200 P HA -0.142 4.278 4.420 -0.000 0.000 0.215 200 P C 1.426 178.898 177.300 0.287 0.000 1.157 200 P CA 1.582 64.890 63.100 0.347 0.000 0.874 200 P CB -0.017 31.873 31.700 0.318 0.000 0.790 201 E N -0.591 119.690 120.200 0.135 0.000 2.153 201 E HA -0.223 4.130 4.350 0.005 0.000 0.194 201 E C 1.781 178.417 176.600 0.061 0.000 0.988 201 E CA 0.983 57.412 56.400 0.049 0.000 0.811 201 E CB -0.170 29.544 29.700 0.023 0.000 0.746 201 E HN 0.075 8.434 8.360 -0.000 0.000 0.466 202 E N -0.227 120.029 120.200 0.093 0.000 2.051 202 E HA -0.146 4.208 4.350 0.005 0.000 0.192 202 E C 2.009 178.676 176.600 0.111 0.000 0.991 202 E CA 1.248 57.699 56.400 0.085 0.000 0.799 202 E CB -0.152 29.597 29.700 0.082 0.000 0.748 202 E HN 0.128 8.488 8.360 -0.000 0.000 0.449 203 V N 0.555 120.585 119.914 0.193 0.000 2.379 203 V HA -0.176 3.947 4.120 0.005 0.000 0.245 203 V C 2.226 178.486 176.094 0.276 0.000 1.044 203 V CA 1.247 63.690 62.300 0.239 0.000 1.036 203 V CB -0.426 31.593 31.823 0.326 0.000 0.664 203 V HN 0.227 8.417 8.190 -0.000 0.000 0.453 204 L N 0.427 121.798 121.223 0.246 0.000 2.042 204 L HA -0.202 4.141 4.340 0.005 0.000 0.210 204 L C 2.154 178.998 176.870 -0.043 0.000 1.076 204 L CA 2.059 56.843 54.840 -0.094 0.000 0.749 204 L CB -0.993 40.719 42.059 -0.579 0.000 0.893 204 L HN 0.335 8.565 8.230 -0.000 0.000 0.432 205 D N -0.635 119.758 120.400 -0.011 0.000 2.265 205 D HA -0.183 4.460 4.640 0.005 0.000 0.208 205 D C 1.719 178.030 176.300 0.018 0.000 0.977 205 D CA 0.889 54.886 54.000 -0.004 0.000 0.871 205 D CB 0.233 41.037 40.800 0.007 0.000 0.925 205 D HN 0.405 8.775 8.370 -0.000 0.000 0.485 206 R N -1.119 119.408 120.500 0.045 0.000 2.437 206 R HA 0.146 4.489 4.340 0.005 0.000 0.257 206 R C 0.398 176.733 176.300 0.058 0.000 0.927 206 R CA -0.034 56.093 56.100 0.045 0.000 1.078 206 R CB 1.290 31.616 30.300 0.043 0.000 1.161 206 R HN -0.101 8.169 8.270 -0.000 0.000 0.529 207 T N -0.409 114.194 114.554 0.081 0.000 2.696 207 T HA 0.116 4.470 4.350 0.005 0.000 0.291 207 T C -1.709 173.049 174.700 0.095 0.000 1.095 207 T CA -0.964 61.198 62.100 0.103 0.000 1.026 207 T CB 1.327 70.286 68.868 0.152 0.000 1.390 207 T HN 0.187 8.427 8.240 -0.000 0.000 0.513 208 D N 1.101 121.571 120.400 0.117 0.000 2.348 208 D HA 0.146 4.789 4.640 0.005 0.000 0.249 208 D C 1.262 177.620 176.300 0.096 0.000 1.110 208 D CA -0.581 53.474 54.000 0.092 0.000 0.967 208 D CB 1.187 42.067 40.800 0.133 0.000 1.139 208 D HN 0.351 8.721 8.370 -0.000 0.000 0.466 209 I N 0.751 121.285 120.570 -0.061 0.000 2.361 209 I HA -0.269 3.904 4.170 0.005 0.000 0.251 209 I C 2.013 178.113 176.117 -0.028 0.000 1.133 209 I CA 1.417 62.649 61.300 -0.113 0.000 1.413 209 I CB -0.560 37.249 38.000 -0.317 0.000 1.073 209 I HN 0.405 8.615 8.210 -0.000 0.000 0.424 210 H N -0.648 118.528 119.070 0.175 0.000 2.363 210 H HA -0.012 4.547 4.556 0.005 0.000 0.301 210 H C 2.145 177.625 175.328 0.254 0.000 1.074 210 H CA 1.858 58.016 56.048 0.184 0.000 1.354 210 H CB -0.922 28.904 29.762 0.106 0.000 1.397 210 H HN 0.284 8.564 8.280 -0.000 0.000 0.516 211 T N 1.704 116.467 114.554 0.349 0.000 2.746 211 T HA -0.161 4.192 4.350 0.005 0.000 0.267 211 T C 1.877 176.804 174.700 0.377 0.000 1.039 211 T CA 1.139 63.453 62.100 0.358 0.000 1.142 211 T CB -0.615 68.432 68.868 0.298 0.000 0.866 211 T HN 0.169 8.409 8.240 -0.000 0.000 0.444 212 F N 1.591 121.664 119.950 0.204 0.000 2.091 212 F HA -0.237 4.294 4.527 0.006 0.000 0.299 212 F C 2.505 178.452 175.800 0.246 0.000 1.103 212 F CA 1.854 59.975 58.000 0.201 0.000 1.228 212 F CB -0.373 38.707 39.000 0.132 0.000 0.984 212 F HN 0.324 8.624 8.300 -0.000 0.000 0.477 213 H N 0.424 119.682 119.070 0.313 0.000 2.387 213 H HA -0.101 4.459 4.556 0.006 0.000 0.299 213 H C 2.232 177.698 175.328 0.230 0.000 1.090 213 H CA 1.364 57.546 56.048 0.222 0.000 1.332 213 H CB 0.040 29.918 29.762 0.194 0.000 1.386 213 H HN 0.135 8.415 8.280 -0.000 0.000 0.516 214 R N -0.000 120.639 120.500 0.231 0.000 2.120 214 R HA -0.134 4.209 4.340 0.005 0.000 0.234 214 R C 2.271 178.780 176.300 0.347 0.000 1.123 214 R CA 0.648 56.935 56.100 0.311 0.000 0.975 214 R CB -1.097 29.424 30.300 0.367 0.000 0.866 214 R HN 0.320 8.590 8.270 -0.000 0.000 0.446 215 F N 0.807 120.580 119.950 -0.295 0.000 2.134 215 F HA -0.239 4.292 4.527 0.006 0.000 0.299 215 F C 2.218 177.777 175.800 -0.402 0.000 1.097 215 F CA 0.933 58.378 58.000 -0.925 0.000 1.264 215 F CB -0.764 37.600 39.000 -1.061 0.000 1.001 215 F HN 0.005 8.305 8.300 -0.000 0.000 0.479 216 Y N 0.978 120.997 120.300 -0.470 0.000 2.200 216 Y HA -0.225 4.328 4.550 0.006 0.000 0.290 216 Y C 2.524 178.240 175.900 -0.306 0.000 1.137 216 Y CA 2.178 60.001 58.100 -0.463 0.000 1.163 216 Y CB -0.609 37.653 38.460 -0.331 0.000 0.988 216 Y HN 0.182 8.462 8.280 -0.000 0.000 0.518 217 Q N -1.242 118.558 119.800 -0.001 0.000 2.084 217 Q HA -0.262 4.081 4.340 0.005 0.000 0.202 217 Q C 2.048 178.000 176.000 -0.081 0.000 0.978 217 Q CA 1.983 57.802 55.803 0.026 0.000 0.844 217 Q CB -0.555 28.301 28.738 0.197 0.000 0.898 217 Q HN 0.711 8.981 8.270 -0.000 0.000 0.426 218 Y N 1.282 121.540 120.300 -0.070 0.000 2.145 218 Y HA -0.237 4.318 4.550 0.009 0.000 0.286 218 Y C 1.805 177.596 175.900 -0.182 0.000 1.145 218 Y CA 1.442 59.486 58.100 -0.093 0.000 1.148 218 Y CB -0.297 38.284 38.460 0.202 0.000 0.981 218 Y HN -0.001 8.279 8.280 -0.000 0.000 0.507 219 L N 0.047 120.951 121.223 -0.532 0.000 2.042 219 L HA -0.271 4.072 4.340 0.005 0.000 0.210 219 L C 2.849 179.364 176.870 -0.592 0.000 1.076 219 L CA 1.285 55.734 54.840 -0.651 0.000 0.749 219 L CB -1.157 40.457 42.059 -0.741 0.000 0.893 219 L HN 0.399 8.629 8.230 -0.000 0.000 0.432 220 A N -0.796 121.674 122.820 -0.584 0.000 1.883 220 A HA -0.297 4.027 4.320 0.005 0.000 0.217 220 A C 2.319 179.728 177.584 -0.293 0.000 1.186 220 A CA 1.958 53.738 52.037 -0.429 0.000 0.624 220 A CB -1.016 17.766 19.000 -0.363 0.000 0.822 220 A HN 0.564 8.714 8.150 -0.000 0.000 0.444 221 H N -0.530 118.313 119.070 -0.378 0.000 2.357 221 H HA -0.099 4.459 4.556 0.004 0.000 0.301 221 H C 2.394 177.519 175.328 -0.338 0.000 1.082 221 H CA 1.807 57.664 56.048 -0.318 0.000 1.342 221 H CB -0.168 29.390 29.762 -0.340 0.000 1.389 221 H HN 0.472 8.752 8.280 -0.000 0.000 0.511 222 S N 0.192 115.541 115.700 -0.585 0.000 2.359 222 S HA -0.138 4.335 4.470 0.005 0.000 0.224 222 S C 2.156 176.553 174.600 -0.338 0.000 1.035 222 S CA 1.445 59.322 58.200 -0.540 0.000 1.018 222 S CB -0.140 62.646 63.200 -0.690 0.000 0.876 222 S HN 0.448 8.758 8.310 -0.000 0.000 0.448 223 K N 0.294 120.501 120.400 -0.322 0.000 2.097 223 K HA -0.165 4.158 4.320 0.005 0.000 0.206 223 K C 2.472 179.002 176.600 -0.116 0.000 1.049 223 K CA 1.580 57.747 56.287 -0.201 0.000 0.933 223 K CB -0.226 32.140 32.500 -0.223 0.000 0.717 223 K HN 0.524 8.774 8.250 -0.000 0.000 0.442 224 Q N 0.684 120.368 119.800 -0.194 0.000 1.990 224 Q HA -0.143 4.200 4.340 0.005 0.000 0.200 224 Q C 2.000 177.904 176.000 -0.160 0.000 0.980 224 Q CA 1.539 57.247 55.803 -0.160 0.000 0.832 224 Q CB 0.038 28.663 28.738 -0.187 0.000 0.897 224 Q HN 0.038 8.308 8.270 -0.000 0.000 0.427 225 V N 0.736 120.484 119.914 -0.277 0.000 2.324 225 V HA -0.270 3.853 4.120 0.005 0.000 0.250 225 V C 2.049 178.076 176.094 -0.111 0.000 1.060 225 V CA 2.121 64.288 62.300 -0.222 0.000 1.042 225 V CB -0.706 30.929 31.823 -0.313 0.000 0.650 225 V HN 0.453 8.643 8.190 -0.000 0.000 0.450 226 F N 1.525 121.350 119.950 -0.208 0.000 2.186 226 F HA -0.158 4.370 4.527 0.003 0.000 0.299 226 F C 2.632 178.327 175.800 -0.176 0.000 1.090 226 F CA 1.976 59.862 58.000 -0.189 0.000 1.307 226 F CB -0.170 38.724 39.000 -0.177 0.000 1.019 226 F HN 0.120 8.420 8.300 -0.000 0.000 0.489 227 R N 0.199 120.728 120.500 0.049 0.000 2.119 227 R HA -0.051 4.292 4.340 0.005 0.000 0.222 227 R C 1.607 177.864 176.300 -0.070 0.000 1.088 227 R CA 1.795 57.911 56.100 0.028 0.000 0.984 227 R CB -0.761 29.582 30.300 0.072 0.000 0.884 227 R HN 0.313 8.583 8.270 -0.000 0.000 0.447 228 E N 0.129 120.271 120.200 -0.096 0.000 2.230 228 E HA 0.040 4.393 4.350 0.005 0.000 0.192 228 E C 1.304 177.826 176.600 -0.130 0.000 0.987 228 E CA 0.884 57.229 56.400 -0.092 0.000 0.841 228 E CB 0.453 30.107 29.700 -0.076 0.000 0.783 228 E HN 0.551 8.911 8.360 -0.000 0.000 0.481 229 A N 0.668 123.366 122.820 -0.203 0.000 2.427 229 A HA 0.498 4.821 4.320 0.005 0.000 0.225 229 A C 0.893 178.290 177.584 -0.312 0.000 1.257 229 A CA -0.007 51.912 52.037 -0.197 0.000 0.985 229 A CB 0.497 19.423 19.000 -0.123 0.000 1.136 229 A HN 0.155 8.305 8.150 -0.000 0.000 0.538 230 A N 0.641 123.093 122.820 -0.612 0.000 2.540 230 A HA 0.408 4.731 4.320 0.005 0.000 0.239 230 A C 0.217 177.500 177.584 -0.501 0.000 1.061 230 A CA 0.326 51.832 52.037 -0.886 0.000 0.758 230 A CB -0.090 17.640 19.000 -2.117 0.000 0.991 230 A HN 0.583 8.733 8.150 -0.000 0.000 0.502 231 Q N 1.350 120.973 119.800 -0.296 0.000 2.214 231 Q HA 0.189 4.532 4.340 0.005 0.000 0.251 231 Q C -0.475 175.486 176.000 -0.064 0.000 0.936 231 Q CA -1.018 54.711 55.803 -0.124 0.000 0.894 231 Q CB 0.886 29.589 28.738 -0.058 0.000 1.252 231 Q HN 0.782 9.052 8.270 -0.000 0.000 0.448 232 N N 3.148 121.838 118.700 -0.017 0.000 2.454 232 N HA -0.020 4.723 4.740 0.005 0.000 0.260 232 N C -1.743 173.711 175.510 -0.093 0.000 1.218 232 N CA -0.742 52.285 53.050 -0.037 0.000 0.904 232 N CB 0.536 38.997 38.487 -0.043 0.000 1.065 232 N HN 0.395 8.775 8.380 -0.000 0.000 0.462 233 P HA -0.097 4.323 4.420 -0.000 0.000 0.225 233 P C 0.478 177.665 177.300 -0.188 0.000 1.148 233 P CA 1.111 64.069 63.100 -0.238 0.000 0.779 233 P CB 0.544 31.931 31.700 -0.522 0.000 0.780 234 E N 0.399 120.488 120.200 -0.185 0.000 2.077 234 E HA -0.179 4.175 4.350 0.005 0.000 0.193 234 E C 2.183 178.763 176.600 -0.032 0.000 0.989 234 E CA 1.098 57.452 56.400 -0.077 0.000 0.800 234 E CB -0.616 29.052 29.700 -0.052 0.000 0.746 234 E HN 0.410 8.770 8.360 -0.000 0.000 0.452 235 E N 0.214 120.396 120.200 -0.030 0.000 2.047 235 E HA -0.154 4.199 4.350 0.005 0.000 0.191 235 E C 1.987 178.605 176.600 0.030 0.000 0.987 235 E CA 1.136 57.534 56.400 -0.002 0.000 0.799 235 E CB 0.160 29.855 29.700 -0.008 0.000 0.752 235 E HN 0.074 8.434 8.360 -0.000 0.000 0.449 236 V N 1.507 121.446 119.914 0.042 0.000 2.287 236 V HA -0.308 3.816 4.120 0.005 0.000 0.248 236 V C 2.515 178.735 176.094 0.211 0.000 1.053 236 V CA 1.911 64.287 62.300 0.127 0.000 1.027 236 V CB -0.952 30.953 31.823 0.137 0.000 0.646 236 V HN 0.423 8.613 8.190 -0.000 0.000 0.447 237 A N -0.445 122.428 122.820 0.089 0.000 1.986 237 A HA -0.272 4.051 4.320 0.005 0.000 0.220 237 A C 2.161 179.801 177.584 0.095 0.000 1.171 237 A CA 2.091 54.153 52.037 0.041 0.000 0.640 237 A CB -0.511 18.451 19.000 -0.063 0.000 0.811 237 A HN 0.513 8.663 8.150 -0.000 0.000 0.451 238 E N -0.306 119.930 120.200 0.061 0.000 2.208 238 E HA -0.058 4.295 4.350 0.005 0.000 0.193 238 E C 1.911 178.530 176.600 0.032 0.000 0.988 238 E CA 0.996 57.416 56.400 0.034 0.000 0.828 238 E CB -0.349 29.362 29.700 0.018 0.000 0.763 238 E HN 0.340 8.700 8.360 -0.000 0.000 0.478 239 V N 0.287 120.235 119.914 0.056 0.000 2.407 239 V HA -0.222 3.902 4.120 0.005 0.000 0.248 239 V C 1.850 177.867 176.094 -0.128 0.000 1.055 239 V CA 1.493 63.774 62.300 -0.031 0.000 1.049 239 V CB -0.637 31.175 31.823 -0.018 0.000 0.662 239 V HN 0.196 8.386 8.190 -0.000 0.000 0.455 240 F N -0.704 119.159 119.950 -0.145 0.000 2.126 240 F HA -0.155 4.373 4.527 0.002 0.000 0.299 240 F C 2.255 177.932 175.800 -0.205 0.000 1.096 240 F CA 1.224 59.116 58.000 -0.180 0.000 1.255 240 F CB -0.627 38.290 39.000 -0.139 0.000 0.997 240 F HN 0.047 8.347 8.300 -0.000 0.000 0.479 241 L N -0.203 121.036 121.223 0.026 0.000 2.017 241 L HA -0.216 4.128 4.340 0.005 0.000 0.208 241 L C 2.390 179.214 176.870 -0.077 0.000 1.073 241 L CA 2.008 56.822 54.840 -0.044 0.000 0.745 241 L CB -1.785 40.255 42.059 -0.032 0.000 0.894 241 L HN 0.193 8.423 8.230 -0.000 0.000 0.432 242 T N 0.246 114.732 114.554 -0.113 0.000 2.635 242 T HA -0.228 4.126 4.350 0.005 0.000 0.267 242 T C 1.948 176.466 174.700 -0.304 0.000 1.040 242 T CA 1.649 63.654 62.100 -0.158 0.000 1.156 242 T CB -0.302 68.484 68.868 -0.136 0.000 0.863 242 T HN 0.462 8.702 8.240 -0.000 0.000 0.430 243 A N 1.177 123.641 122.820 -0.594 0.000 1.908 243 A HA -0.053 4.270 4.320 0.005 0.000 0.218 243 A C 2.361 179.772 177.584 -0.289 0.000 1.181 243 A CA 1.328 52.904 52.037 -0.768 0.000 0.627 243 A CB -0.966 17.462 19.000 -0.954 0.000 0.818 243 A HN 0.482 8.632 8.150 -0.000 0.000 0.445 244 L N -1.244 119.876 121.223 -0.172 0.000 2.042 244 L HA -0.174 4.169 4.340 0.005 0.000 0.210 244 L C 2.564 179.429 176.870 -0.008 0.000 1.076 244 L CA 1.359 56.171 54.840 -0.047 0.000 0.749 244 L CB -0.347 41.711 42.059 -0.001 0.000 0.893 244 L HN 0.366 8.596 8.230 -0.000 0.000 0.432 245 R N -0.332 120.157 120.500 -0.017 0.000 2.317 245 R HA 0.209 4.553 4.340 0.005 0.000 0.208 245 R C 0.517 176.808 176.300 -0.014 0.000 0.914 245 R CA 0.154 56.261 56.100 0.011 0.000 1.060 245 R CB 0.091 30.409 30.300 0.029 0.000 1.015 245 R HN 0.134 8.404 8.270 -0.000 0.000 0.498 246 A N 3.151 125.947 122.820 -0.040 0.000 2.454 246 A HA 0.193 4.516 4.320 0.005 0.000 0.260 246 A C -1.235 176.319 177.584 -0.051 0.000 1.106 246 A CA -1.066 50.960 52.037 -0.019 0.000 0.780 246 A CB 0.333 19.353 19.000 0.032 0.000 1.044 246 A HN -0.018 8.132 8.150 -0.000 0.000 0.498 247 P HA -0.091 4.329 4.420 -0.000 0.000 0.217 247 P C 0.266 177.495 177.300 -0.118 0.000 1.150 247 P CA 1.279 64.344 63.100 -0.057 0.000 0.832 247 P CB 0.302 31.989 31.700 -0.021 0.000 0.787 248 K N 0.757 121.102 120.400 -0.092 0.000 2.579 248 K HA 0.321 4.645 4.320 0.005 0.000 0.225 248 K C -2.561 173.999 176.600 -0.066 0.000 0.992 248 K CA -2.258 53.955 56.287 -0.123 0.000 1.018 248 K CB 1.092 33.573 32.500 -0.031 0.000 1.249 248 K HN 0.033 8.283 8.250 -0.000 0.000 0.489 249 P HA 0.118 4.538 4.420 -0.000 0.000 0.272 249 P C -0.077 177.266 177.300 0.072 0.000 1.223 249 P CA -0.153 63.000 63.100 0.088 0.000 0.784 249 P CB 0.518 32.278 31.700 0.100 0.000 0.923 250 T N -0.916 113.643 114.554 0.009 0.000 2.847 250 T HA 0.169 4.522 4.350 0.005 0.000 0.279 250 T C 1.120 175.753 174.700 -0.111 0.000 0.984 250 T CA -0.754 61.261 62.100 -0.142 0.000 0.988 250 T CB 0.494 69.155 68.868 -0.346 0.000 1.040 250 T HN 0.217 8.457 8.240 -0.000 0.000 0.528 251 L N -0.388 120.765 121.223 -0.116 0.000 2.093 251 L HA 0.277 4.620 4.340 0.005 0.000 0.208 251 L C 1.129 177.908 176.870 -0.152 0.000 1.085 251 L CA 1.524 56.314 54.840 -0.083 0.000 0.755 251 L CB -0.433 41.587 42.059 -0.066 0.000 0.904 251 L HN 0.634 8.864 8.230 -0.000 0.000 0.435 252 R N -1.175 119.142 120.500 -0.305 0.000 2.532 252 R HA 0.378 4.722 4.340 0.005 0.000 0.297 252 R C -1.691 174.165 176.300 -0.740 0.000 0.984 252 R CA -0.643 55.187 56.100 -0.450 0.000 0.884 252 R CB 1.350 31.374 30.300 -0.459 0.000 1.182 252 R HN 0.012 8.282 8.270 -0.000 0.000 0.442 253 Y N 2.737 122.738 120.300 -0.499 0.000 2.409 253 Y HA 0.453 5.004 4.550 0.003 0.000 0.339 253 Y C -0.425 175.123 175.900 -0.586 0.000 1.033 253 Y CA -0.558 57.298 58.100 -0.407 0.000 1.094 253 Y CB 1.401 39.703 38.460 -0.263 0.000 1.210 253 Y HN 0.376 8.656 8.280 -0.000 0.000 0.456 254 F N -0.053 119.949 119.950 0.087 0.000 2.469 254 F HA 0.271 4.800 4.527 0.004 0.000 0.332 254 F C 1.165 176.994 175.800 0.048 0.000 1.103 254 F CA -0.917 57.133 58.000 0.084 0.000 0.979 254 F CB 1.977 40.984 39.000 0.012 0.000 1.137 254 F HN 0.552 8.852 8.300 -0.000 0.000 0.463 255 T N -2.615 112.069 114.554 0.217 0.000 3.088 255 T HA 0.097 4.450 4.350 0.005 0.000 0.259 255 T C 0.543 175.281 174.700 0.063 0.000 1.122 255 T CA 0.678 62.853 62.100 0.124 0.000 1.095 255 T CB -0.056 68.889 68.868 0.128 0.000 0.930 255 T HN 0.604 8.844 8.240 -0.000 0.000 0.508 256 T N -0.336 114.218 114.554 0.001 0.000 2.889 256 T HA 0.353 4.707 4.350 0.005 0.000 0.315 256 T C -0.599 173.859 174.700 -0.404 0.000 1.291 256 T CA -0.605 61.398 62.100 -0.161 0.000 1.028 256 T CB 2.137 70.921 68.868 -0.141 0.000 1.235 256 T HN 0.086 8.326 8.240 -0.000 0.000 0.491 257 E N 1.008 121.009 120.200 -0.331 0.000 2.479 257 E HA 0.129 4.482 4.350 0.005 0.000 0.193 257 E C 2.044 178.388 176.600 -0.426 0.000 1.049 257 E CA -0.316 55.849 56.400 -0.391 0.000 0.870 257 E CB 0.236 29.800 29.700 -0.226 0.000 0.944 257 E HN 0.331 8.691 8.360 -0.000 0.000 0.492 258 R N 0.405 120.672 120.500 -0.389 0.000 2.133 258 R HA -0.194 4.149 4.340 0.005 0.000 0.245 258 R C 1.932 178.147 176.300 -0.141 0.000 1.137 258 R CA 1.676 57.646 56.100 -0.216 0.000 0.947 258 R CB -0.507 29.732 30.300 -0.101 0.000 0.865 258 R HN 0.311 8.581 8.270 -0.000 0.000 0.437 259 F N -1.370 118.571 119.950 -0.016 0.000 2.727 259 F HA 0.259 4.795 4.527 0.015 0.000 0.302 259 F C 1.672 177.450 175.800 -0.037 0.000 1.097 259 F CA -0.341 57.661 58.000 0.003 0.000 1.330 259 F CB -0.829 38.195 39.000 0.041 0.000 1.084 259 F HN -0.173 8.127 8.300 -0.000 0.000 0.578 260 L N 0.685 121.814 121.223 -0.156 0.000 2.093 260 L HA -0.029 4.315 4.340 0.005 0.000 0.208 260 L C -0.337 176.509 176.870 -0.039 0.000 1.085 260 L CA 0.948 55.707 54.840 -0.134 0.000 0.755 260 L CB -1.973 39.883 42.059 -0.339 0.000 0.904 260 L HN 0.103 8.333 8.230 -0.000 0.000 0.435 261 P HA -0.180 4.240 4.420 -0.000 0.000 0.216 261 P C 1.846 179.188 177.300 0.069 0.000 1.153 261 P CA 0.993 64.101 63.100 0.013 0.000 0.848 261 P CB 0.092 31.797 31.700 0.009 0.000 0.787 262 L N -0.542 120.755 121.223 0.123 0.000 2.042 262 L HA -0.140 4.203 4.340 0.005 0.000 0.210 262 L C 2.216 179.205 176.870 0.199 0.000 1.076 262 L CA 1.691 56.648 54.840 0.195 0.000 0.749 262 L CB -1.755 40.453 42.059 0.248 0.000 0.893 262 L HN 0.001 8.231 8.230 -0.000 0.000 0.432 263 L N -0.762 120.551 121.223 0.151 0.000 2.046 263 L HA -0.224 4.119 4.340 0.005 0.000 0.208 263 L C 2.731 179.618 176.870 0.028 0.000 1.077 263 L CA 1.439 56.321 54.840 0.070 0.000 0.747 263 L CB -0.418 41.695 42.059 0.090 0.000 0.896 263 L HN 0.351 8.581 8.230 -0.000 0.000 0.432 264 R N -0.492 120.022 120.500 0.024 0.000 2.075 264 R HA -0.212 4.131 4.340 0.005 0.000 0.232 264 R C 2.105 178.426 176.300 0.035 0.000 1.126 264 R CA 1.636 57.740 56.100 0.007 0.000 0.963 264 R CB -0.588 29.705 30.300 -0.011 0.000 0.858 264 R HN 0.440 8.710 8.270 -0.000 0.000 0.435 265 M N 0.603 120.246 119.600 0.070 0.000 2.149 265 M HA -0.208 4.276 4.480 0.005 0.000 0.261 265 M C 2.425 178.800 176.300 0.125 0.000 1.064 265 M CA 1.613 56.972 55.300 0.099 0.000 1.102 265 M CB -0.089 32.590 32.600 0.131 0.000 1.369 265 M HN -0.035 8.255 8.290 -0.000 0.000 0.408 266 R N 0.014 120.591 120.500 0.129 0.000 2.073 266 R HA -0.162 4.181 4.340 0.005 0.000 0.234 266 R C 1.936 178.244 176.300 0.012 0.000 1.134 266 R CA 1.591 57.717 56.100 0.045 0.000 0.952 266 R CB -0.343 29.843 30.300 -0.191 0.000 0.850 266 R HN 0.344 8.614 8.270 -0.000 0.000 0.433 267 L N 1.542 122.765 121.223 0.000 0.000 2.083 267 L HA -0.166 4.177 4.340 0.005 0.000 0.209 267 L C 1.307 178.184 176.870 0.010 0.000 1.083 267 L CA 1.966 56.803 54.840 -0.005 0.000 0.752 267 L CB -0.719 41.333 42.059 -0.011 0.000 0.899 267 L HN 0.419 8.649 8.230 -0.000 0.000 0.433 268 D N -2.962 117.451 120.400 0.021 0.000 2.342 268 D HA 0.032 4.676 4.640 0.005 0.000 0.221 268 D C 0.013 176.331 176.300 0.030 0.000 1.101 268 D CA -0.063 53.950 54.000 0.021 0.000 0.837 268 D CB -0.177 40.632 40.800 0.016 0.000 0.938 268 D HN 0.121 8.491 8.370 -0.000 0.000 0.508 269 D N 0.285 120.710 120.400 0.042 0.000 2.404 269 D HA 0.239 4.882 4.640 0.005 0.000 0.267 269 D C -1.883 174.445 176.300 0.047 0.000 1.194 269 D CA -2.234 51.794 54.000 0.046 0.000 0.910 269 D CB 1.650 42.486 40.800 0.060 0.000 1.090 269 D HN -0.217 8.153 8.370 -0.000 0.000 0.511 270 P HA -0.142 4.278 4.420 -0.000 0.000 0.221 270 P C 1.346 178.667 177.300 0.036 0.000 1.145 270 P CA 0.895 64.014 63.100 0.030 0.000 0.795 270 P CB 0.159 31.872 31.700 0.022 0.000 0.775 271 S N -1.481 114.242 115.700 0.037 0.000 2.474 271 S HA 0.025 4.498 4.470 0.005 0.000 0.235 271 S C 1.898 176.530 174.600 0.052 0.000 0.997 271 S CA 1.061 59.283 58.200 0.037 0.000 0.949 271 S CB -1.496 61.723 63.200 0.031 0.000 0.766 271 S HN 0.314 8.624 8.310 -0.000 0.000 0.517 272 G N 0.531 109.376 108.800 0.075 0.000 2.205 272 G HA2 -0.375 3.589 3.960 0.005 0.000 0.261 272 G HA3 -0.375 3.589 3.960 0.005 0.000 0.261 272 G C 1.090 176.070 174.900 0.133 0.000 0.980 272 G CA 0.998 46.170 45.100 0.121 0.000 0.632 272 G HN 0.826 9.116 8.290 -0.000 0.000 0.533 273 S N 0.425 116.175 115.700 0.084 0.000 2.356 273 S HA -0.144 4.329 4.470 0.005 0.000 0.223 273 S C 2.270 176.909 174.600 0.066 0.000 1.032 273 S CA 2.025 60.261 58.200 0.060 0.000 1.005 273 S CB -0.283 62.939 63.200 0.038 0.000 0.867 273 S HN 0.551 8.861 8.310 -0.000 0.000 0.449 274 N N 0.043 118.792 118.700 0.082 0.000 2.188 274 N HA -0.062 4.681 4.740 0.005 0.000 0.184 274 N C 1.450 177.018 175.510 0.098 0.000 1.018 274 N CA 1.345 54.442 53.050 0.078 0.000 0.858 274 N CB -0.767 37.768 38.487 0.080 0.000 0.989 274 N HN 0.629 9.009 8.380 -0.000 0.000 0.426 275 Y N 1.605 121.933 120.300 0.047 0.000 2.163 275 Y HA -0.118 4.437 4.550 0.008 0.000 0.288 275 Y C 2.154 178.096 175.900 0.069 0.000 1.136 275 Y CA 1.130 59.265 58.100 0.059 0.000 1.147 275 Y CB -0.400 38.098 38.460 0.064 0.000 0.987 275 Y HN -0.195 8.085 8.280 -0.000 0.000 0.509 276 V N -0.493 119.403 119.914 -0.030 0.000 2.343 276 V HA -0.304 3.819 4.120 0.005 0.000 0.247 276 V C 2.294 178.338 176.094 -0.083 0.000 1.051 276 V CA 2.373 64.624 62.300 -0.082 0.000 1.036 276 V CB -1.082 30.769 31.823 0.046 0.000 0.654 276 V HN 0.467 8.657 8.190 -0.000 0.000 0.451 277 T N 0.343 114.873 114.554 -0.041 0.000 2.674 277 T HA -0.167 4.186 4.350 0.005 0.000 0.265 277 T C 2.073 176.769 174.700 -0.007 0.000 1.039 277 T CA 1.764 63.858 62.100 -0.009 0.000 1.150 277 T CB -0.425 68.441 68.868 -0.003 0.000 0.864 277 T HN 0.570 8.810 8.240 -0.000 0.000 0.427 278 A N 1.185 123.967 122.820 -0.065 0.000 1.877 278 A HA -0.086 4.237 4.320 0.005 0.000 0.216 278 A C 2.242 179.747 177.584 -0.132 0.000 1.186 278 A CA 1.947 53.942 52.037 -0.070 0.000 0.620 278 A CB -0.667 18.302 19.000 -0.053 0.000 0.822 278 A HN 0.420 8.570 8.150 -0.000 0.000 0.443 279 M N -0.931 118.481 119.600 -0.313 0.000 2.175 279 M HA -0.115 4.368 4.480 0.005 0.000 0.264 279 M C 1.951 178.168 176.300 -0.138 0.000 1.063 279 M CA 1.968 57.086 55.300 -0.304 0.000 1.119 279 M CB -0.799 31.453 32.600 -0.581 0.000 1.377 279 M HN 0.645 8.935 8.290 -0.000 0.000 0.415 280 H N 0.107 119.122 119.070 -0.090 0.000 2.321 280 H HA -0.159 4.399 4.556 0.004 0.000 0.300 280 H C 2.225 177.605 175.328 0.087 0.000 1.087 280 H CA 2.127 58.239 56.048 0.107 0.000 1.319 280 H CB -0.168 29.668 29.762 0.124 0.000 1.379 280 H HN 0.421 8.701 8.280 -0.000 0.000 0.501 281 R N 0.754 121.335 120.500 0.134 0.000 2.073 281 R HA -0.117 4.226 4.340 0.005 0.000 0.234 281 R C 2.104 178.356 176.300 -0.080 0.000 1.134 281 R CA 1.448 57.587 56.100 0.065 0.000 0.952 281 R CB -0.121 30.220 30.300 0.068 0.000 0.850 281 R HN 0.404 8.674 8.270 -0.000 0.000 0.433 282 E N 0.100 120.220 120.200 -0.133 0.000 2.085 282 E HA -0.162 4.192 4.350 0.005 0.000 0.194 282 E C 2.015 178.299 176.600 -0.525 0.000 0.994 282 E CA 1.742 58.018 56.400 -0.207 0.000 0.801 282 E CB 0.040 29.657 29.700 -0.139 0.000 0.743 282 E HN 0.259 8.619 8.360 -0.000 0.000 0.453 283 V N 0.161 119.658 119.914 -0.696 0.000 2.500 283 V HA -0.059 4.064 4.120 0.005 0.000 0.243 283 V C 0.961 176.529 176.094 -0.877 0.000 1.039 283 V CA 0.985 62.617 62.300 -1.114 0.000 1.053 283 V CB -0.167 30.968 31.823 -1.146 0.000 0.695 283 V HN -0.025 8.165 8.190 -0.000 0.000 0.463 284 F N 0.000 119.758 119.950 -0.320 0.000 2.286 284 F HA 0.000 4.529 4.527 0.003 0.000 0.279 284 F CA 0.000 57.855 58.000 -0.242 0.000 1.383 284 F CB 0.000 38.734 39.000 -0.443 0.000 1.145 284 F HN 0.000 8.300 8.300 -0.000 0.000 0.574