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 3gut_1_C DATA FIRST_RESID 19 DATA SEQUENCE AYVEIIEQPK QRGMRFRYKC EGRSAGSIPG ERSTDTTKTH PTIKINGYTG DATA SEQUENCE PGTVRISLVT KDPPHRPHPH ELVGKDCRDG YYEADLCPDR SIHSFQNLGI DATA SEQUENCE QCVKKRDLEQ AISQRIQTNN NPFHVPIEEQ RGDYDLNAVR LCFQVTVRDP DATA SEQUENCE AGRPLLLTPV LSHPIFDNRA PNTAELKICR VNRNSGSCLG GDEIFLLCDK DATA SEQUENCE VQKEDIEVYF TGPGWEARGS FSQADVHRQV AIVFRTPPYA DPSLQAPVRV DATA SEQUENCE SMQLRRPSDR ELSEPMEFQY LPD 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 19 A HA 0.000 4.320 4.320 0.000 0.000 0.244 19 A C 0.000 177.718 177.584 0.223 0.000 1.274 19 A CA 0.000 52.156 52.037 0.198 0.000 0.836 19 A CB 0.000 19.090 19.000 0.150 0.000 0.831 20 Y N -0.282 120.038 120.300 0.034 0.000 2.693 20 Y HA 0.911 5.462 4.550 0.003 0.000 0.331 20 Y C -0.587 175.323 175.900 0.017 0.000 1.092 20 Y CA -2.073 56.039 58.100 0.020 0.000 1.131 20 Y CB 0.807 39.280 38.460 0.023 0.000 1.318 20 Y HN 0.391 8.671 8.280 0.000 0.000 0.510 21 V N 1.247 121.181 119.914 0.034 0.000 2.680 21 V HA 0.527 4.648 4.120 0.002 0.000 0.309 21 V C -0.990 175.107 176.094 0.004 0.000 1.052 21 V CA -0.918 61.342 62.300 -0.067 0.000 0.908 21 V CB 1.502 33.307 31.823 -0.030 0.000 1.001 21 V HN 0.888 9.078 8.190 0.000 0.000 0.431 22 E N 3.362 123.519 120.200 -0.072 0.000 2.308 22 E HA 0.627 4.978 4.350 0.002 0.000 0.275 22 E C -1.662 174.883 176.600 -0.090 0.000 0.890 22 E CA -1.006 55.382 56.400 -0.020 0.000 0.754 22 E CB 2.122 31.844 29.700 0.037 0.000 1.207 22 E HN 0.379 8.739 8.360 0.000 0.000 0.426 23 I N 3.716 124.232 120.570 -0.090 0.000 2.452 23 I HA 0.044 4.215 4.170 0.002 0.000 0.287 23 I C 0.953 177.027 176.117 -0.072 0.000 1.079 23 I CA 0.229 61.447 61.300 -0.137 0.000 1.387 23 I CB 0.181 38.116 38.000 -0.109 0.000 1.404 23 I HN 0.709 8.919 8.210 0.000 0.000 0.522 24 I N 3.249 123.776 120.570 -0.072 0.000 2.339 24 I HA -0.007 4.164 4.170 0.002 0.000 0.245 24 I C 0.801 176.907 176.117 -0.018 0.000 1.096 24 I CA 0.803 62.081 61.300 -0.036 0.000 1.408 24 I CB 0.070 38.047 38.000 -0.038 0.000 1.092 24 I HN 0.533 8.743 8.210 0.000 0.000 0.423 25 E N 1.751 121.940 120.200 -0.018 0.000 2.255 25 E HA 0.175 4.526 4.350 0.002 0.000 0.245 25 E C -0.699 175.912 176.600 0.018 0.000 0.909 25 E CA -0.455 55.952 56.400 0.011 0.000 0.747 25 E CB 0.559 30.276 29.700 0.030 0.000 1.215 25 E HN 0.047 8.407 8.360 0.000 0.000 0.424 26 Q N 4.305 124.102 119.800 -0.005 0.000 2.454 26 Q HA 0.207 4.548 4.340 0.002 0.000 0.247 26 Q C -1.944 174.091 176.000 0.058 0.000 1.028 26 Q CA -1.392 54.369 55.803 -0.069 0.000 0.910 26 Q CB 0.398 28.974 28.738 -0.271 0.000 1.276 26 Q HN 0.500 8.770 8.270 0.000 0.000 0.489 27 P HA 0.106 4.526 4.420 0.000 0.000 0.276 27 P C -0.671 176.779 177.300 0.251 0.000 1.252 27 P CA -0.350 62.845 63.100 0.159 0.000 0.802 27 P CB 0.819 32.602 31.700 0.138 0.000 1.035 28 K N 1.280 121.775 120.400 0.159 0.000 2.401 28 K HA -0.001 4.320 4.320 0.002 0.000 0.278 28 K C 1.461 178.156 176.600 0.158 0.000 1.018 28 K CA 0.076 56.445 56.287 0.136 0.000 0.981 28 K CB 0.376 32.918 32.500 0.071 0.000 0.933 28 K HN 0.339 8.589 8.250 0.000 0.000 0.477 29 Q N 2.770 122.637 119.800 0.112 0.000 1.994 29 Q HA -0.058 4.283 4.340 0.002 0.000 0.198 29 Q C 0.233 176.376 176.000 0.238 0.000 0.976 29 Q CA 1.304 57.205 55.803 0.163 0.000 0.828 29 Q CB 0.204 28.989 28.738 0.078 0.000 0.894 29 Q HN 0.496 8.766 8.270 0.000 0.000 0.432 30 R N -1.640 118.931 120.500 0.118 0.000 2.828 30 R HA 0.505 4.846 4.340 0.002 0.000 0.264 30 R C 0.169 176.481 176.300 0.021 0.000 1.022 30 R CA 0.190 56.329 56.100 0.065 0.000 1.021 30 R CB 1.666 31.948 30.300 -0.029 0.000 1.163 30 R HN 0.338 8.608 8.270 0.000 0.000 0.494 31 G N 0.368 109.160 108.800 -0.013 0.000 2.905 31 G HA2 -0.180 3.781 3.960 0.002 0.000 0.199 31 G HA3 -0.180 3.781 3.960 0.002 0.000 0.199 31 G C -0.092 174.791 174.900 -0.028 0.000 1.370 31 G CA -0.642 44.447 45.100 -0.018 0.000 0.966 31 G HN 0.317 8.607 8.290 0.000 0.000 0.522 32 M N 2.422 122.012 119.600 -0.017 0.000 2.233 32 M HA 0.414 4.895 4.480 0.002 0.000 0.350 32 M C 0.804 177.042 176.300 -0.103 0.000 1.176 32 M CA -0.258 55.035 55.300 -0.011 0.000 1.150 32 M CB 0.985 33.618 32.600 0.056 0.000 1.530 32 M HN 0.609 8.899 8.290 0.000 0.000 0.459 33 R N 2.047 122.504 120.500 -0.072 0.000 2.445 33 R HA 0.567 4.908 4.340 0.002 0.000 0.308 33 R C -1.338 174.971 176.300 0.016 0.000 0.961 33 R CA -0.617 55.395 56.100 -0.147 0.000 0.862 33 R CB 0.730 30.996 30.300 -0.056 0.000 1.144 33 R HN 0.203 8.473 8.270 0.000 0.000 0.447 34 F N 2.300 122.261 119.950 0.018 0.000 2.518 34 F HA 0.306 4.834 4.527 0.001 0.000 0.359 34 F C 0.924 176.723 175.800 -0.002 0.000 1.118 34 F CA -0.565 57.405 58.000 -0.051 0.000 1.287 34 F CB 0.263 39.173 39.000 -0.150 0.000 1.132 34 F HN 0.337 8.637 8.300 0.000 0.000 0.587 35 R N 1.636 122.239 120.500 0.172 0.000 2.720 35 R HA 0.425 4.766 4.340 0.002 0.000 0.272 35 R C -0.951 175.408 176.300 0.098 0.000 0.991 35 R CA -1.013 55.210 56.100 0.204 0.000 1.010 35 R CB 0.730 31.114 30.300 0.141 0.000 1.141 35 R HN 0.436 8.706 8.270 0.000 0.000 0.494 36 Y N 0.694 120.995 120.300 0.001 0.000 2.334 36 Y HA 0.195 4.746 4.550 0.002 0.000 0.325 36 Y C 1.893 177.783 175.900 -0.017 0.000 1.308 36 Y CA -0.624 57.468 58.100 -0.014 0.000 1.389 36 Y CB 0.597 39.060 38.460 0.005 0.000 1.328 36 Y HN 0.504 8.784 8.280 0.000 0.000 0.532 37 K N 0.220 120.690 120.400 0.118 0.000 2.097 37 K HA -0.120 4.201 4.320 0.002 0.000 0.205 37 K C 1.744 178.390 176.600 0.077 0.000 1.050 37 K CA 1.546 57.868 56.287 0.059 0.000 0.938 37 K CB -0.315 32.203 32.500 0.031 0.000 0.718 37 K HN 0.882 9.132 8.250 0.000 0.000 0.442 38 C N 0.516 119.883 119.300 0.111 0.000 2.491 38 C HA 0.151 4.612 4.460 0.002 0.000 0.277 38 C C 0.967 175.990 174.990 0.055 0.000 1.455 38 C CA -0.603 58.456 59.018 0.068 0.000 1.758 38 C CB -0.951 26.821 27.740 0.054 0.000 1.745 38 C HN 0.303 8.533 8.230 0.000 0.000 0.558 39 E N 0.769 121.018 120.200 0.082 0.000 3.837 39 E HA 0.441 4.792 4.350 0.002 0.000 0.280 39 E C 0.797 177.425 176.600 0.047 0.000 1.282 39 E CA -0.181 56.256 56.400 0.061 0.000 1.431 39 E CB 0.142 29.898 29.700 0.093 0.000 1.509 39 E HN 0.437 8.797 8.360 0.000 0.000 0.728 40 G N 1.242 110.068 108.800 0.044 0.000 2.164 40 G HA2 -0.248 3.713 3.960 0.002 0.000 0.259 40 G HA3 -0.248 3.713 3.960 0.002 0.000 0.259 40 G C 0.749 175.666 174.900 0.029 0.000 0.894 40 G CA 0.621 45.741 45.100 0.034 0.000 0.961 40 G HN 0.497 8.787 8.290 0.000 0.000 0.369 41 R N 1.673 122.186 120.500 0.021 0.000 2.198 41 R HA -0.151 4.190 4.340 0.002 0.000 0.258 41 R C 1.117 177.426 176.300 0.015 0.000 1.173 41 R CA 1.753 57.863 56.100 0.015 0.000 0.991 41 R CB -0.053 30.254 30.300 0.012 0.000 0.879 41 R HN 0.447 8.717 8.270 0.000 0.000 0.460 42 S N -2.055 113.657 115.700 0.020 0.000 2.513 42 S HA 0.633 5.104 4.470 0.002 0.000 0.299 42 S C -0.056 174.563 174.600 0.031 0.000 1.087 42 S CA -0.423 57.791 58.200 0.022 0.000 1.012 42 S CB 1.929 65.143 63.200 0.023 0.000 1.044 42 S HN 0.399 8.709 8.310 0.000 0.000 0.485 43 A N 4.299 127.139 122.820 0.033 0.000 3.819 43 A HA 0.828 5.149 4.320 0.002 0.000 0.178 43 A C 1.039 178.652 177.584 0.049 0.000 1.817 43 A CA 0.688 52.753 52.037 0.046 0.000 1.119 43 A CB -1.123 17.904 19.000 0.045 0.000 1.166 43 A HN 1.090 9.240 8.150 0.000 0.000 0.392 44 G N -2.156 106.677 108.800 0.055 0.000 3.310 44 G HA2 0.481 4.442 3.960 0.002 0.000 0.174 44 G HA3 0.481 4.442 3.960 0.002 0.000 0.174 44 G C -0.709 174.230 174.900 0.065 0.000 1.097 44 G CA 0.704 45.839 45.100 0.058 0.000 0.795 44 G HN 1.269 9.559 8.290 0.000 0.000 0.670 45 S N -0.787 114.960 115.700 0.079 0.000 2.626 45 S HA 0.438 4.909 4.470 0.002 0.000 0.275 45 S C -1.259 173.406 174.600 0.108 0.000 1.175 45 S CA -0.600 57.661 58.200 0.101 0.000 0.982 45 S CB 0.803 64.083 63.200 0.133 0.000 1.093 45 S HN 0.464 8.774 8.310 0.000 0.000 0.472 46 I N 5.967 126.601 120.570 0.106 0.000 2.741 46 I HA 0.210 4.381 4.170 0.002 0.000 0.288 46 I C -1.986 174.175 176.117 0.073 0.000 1.192 46 I CA -0.954 60.402 61.300 0.094 0.000 1.426 46 I CB 0.066 38.119 38.000 0.088 0.000 1.367 46 I HN 0.439 8.649 8.210 0.000 0.000 0.563 47 P HA 0.238 4.658 4.420 0.000 0.000 0.276 47 P C 0.502 177.756 177.300 -0.077 0.000 1.252 47 P CA -0.401 62.627 63.100 -0.120 0.000 0.802 47 P CB 0.706 32.369 31.700 -0.061 0.000 1.035 48 G N 0.692 109.405 108.800 -0.145 0.000 2.713 48 G HA2 -0.065 3.896 3.960 0.002 0.000 0.170 48 G HA3 -0.065 3.896 3.960 0.002 0.000 0.170 48 G C 0.449 175.364 174.900 0.025 0.000 1.724 48 G CA 0.644 45.726 45.100 -0.031 0.000 0.892 48 G HN 0.638 8.928 8.290 0.000 0.000 0.376 49 E N -2.278 117.940 120.200 0.030 0.000 2.534 49 E HA 0.114 4.465 4.350 0.002 0.000 0.179 49 E C 1.249 177.872 176.600 0.039 0.000 0.916 49 E CA -0.204 56.234 56.400 0.063 0.000 1.354 49 E CB 0.520 30.295 29.700 0.124 0.000 1.321 49 E HN 0.341 8.701 8.360 0.000 0.000 0.663 50 R N 0.832 121.342 120.500 0.017 0.000 2.549 50 R HA 0.178 4.519 4.340 0.002 0.000 0.344 50 R C 0.059 176.356 176.300 -0.006 0.000 0.979 50 R CA 0.424 56.531 56.100 0.011 0.000 1.140 50 R CB 1.409 31.718 30.300 0.016 0.000 1.377 50 R HN 0.045 8.315 8.270 0.000 0.000 0.541 51 S N 0.932 116.616 115.700 -0.026 0.000 2.548 51 S HA 0.249 4.720 4.470 0.002 0.000 0.277 51 S C 0.473 175.056 174.600 -0.028 0.000 1.315 51 S CA -0.353 57.818 58.200 -0.048 0.000 1.050 51 S CB 1.374 64.504 63.200 -0.116 0.000 0.918 51 S HN 0.191 8.501 8.310 0.000 0.000 0.497 52 T N -0.503 114.040 114.554 -0.019 0.000 2.807 52 T HA 0.460 4.811 4.350 0.002 0.000 0.277 52 T C 0.326 175.022 174.700 -0.008 0.000 1.006 52 T CA -0.831 61.263 62.100 -0.010 0.000 1.006 52 T CB 0.694 69.560 68.868 -0.003 0.000 1.274 52 T HN 0.432 8.671 8.240 0.000 0.000 0.569 53 D N 0.659 121.058 120.400 -0.003 0.000 2.144 53 D HA -0.127 4.514 4.640 0.002 0.000 0.199 53 D C 2.222 178.524 176.300 0.004 0.000 0.984 53 D CA 2.067 56.067 54.000 0.001 0.000 0.834 53 D CB -0.302 40.499 40.800 0.002 0.000 0.955 53 D HN 0.767 9.137 8.370 0.000 0.000 0.465 54 T N -0.253 114.304 114.554 0.004 0.000 2.639 54 T HA -0.099 4.252 4.350 0.002 0.000 0.261 54 T C 1.119 175.824 174.700 0.009 0.000 1.053 54 T CA 1.540 63.644 62.100 0.006 0.000 1.158 54 T CB -0.255 68.616 68.868 0.005 0.000 0.863 54 T HN 0.134 8.374 8.240 0.000 0.000 0.413 55 T N -0.011 114.547 114.554 0.007 0.000 2.779 55 T HA 0.589 4.940 4.350 0.002 0.000 0.280 55 T C -0.855 173.847 174.700 0.003 0.000 0.987 55 T CA -0.948 61.158 62.100 0.011 0.000 0.966 55 T CB 1.819 70.694 68.868 0.011 0.000 0.933 55 T HN 0.447 8.687 8.240 0.000 0.000 0.442 56 K N 2.722 123.130 120.400 0.013 0.000 2.185 56 K HA 0.549 4.870 4.320 0.002 0.000 0.269 56 K C 0.261 176.845 176.600 -0.027 0.000 0.987 56 K CA -0.538 55.733 56.287 -0.028 0.000 0.865 56 K CB 1.185 33.682 32.500 -0.004 0.000 1.090 56 K HN 0.931 9.181 8.250 0.000 0.000 0.450 57 T N 0.430 114.897 114.554 -0.145 0.000 2.919 57 T HA 0.540 4.891 4.350 0.002 0.000 0.282 57 T C -0.650 173.817 174.700 -0.389 0.000 1.020 57 T CA -0.542 61.515 62.100 -0.071 0.000 0.994 57 T CB 1.163 70.019 68.868 -0.019 0.000 1.180 57 T HN 0.699 8.939 8.240 0.000 0.000 0.566 58 H N -1.268 117.820 119.070 0.029 0.000 2.990 58 H HA 0.510 5.067 4.556 0.002 0.000 0.336 58 H C -2.956 172.413 175.328 0.068 0.000 1.306 58 H CA -1.756 54.321 56.048 0.049 0.000 1.118 58 H CB 1.026 30.813 29.762 0.041 0.000 1.856 58 H HN 0.454 8.734 8.280 0.000 0.000 0.538 59 P HA 0.021 4.441 4.420 0.000 0.000 0.258 59 P C -0.863 176.579 177.300 0.236 0.000 1.172 59 P CA 0.662 63.908 63.100 0.243 0.000 0.762 59 P CB 0.260 32.158 31.700 0.329 0.000 0.764 60 T N 4.784 119.400 114.554 0.104 0.000 2.937 60 T HA 0.542 4.893 4.350 0.002 0.000 0.297 60 T C 0.257 174.915 174.700 -0.070 0.000 0.991 60 T CA -0.526 61.591 62.100 0.029 0.000 0.990 60 T CB 0.420 69.287 68.868 -0.002 0.000 0.991 60 T HN 0.214 8.454 8.240 0.000 0.000 0.440 61 I N -0.034 120.478 120.570 -0.095 0.000 2.924 61 I HA 0.781 4.953 4.170 0.002 0.000 0.316 61 I C -0.335 175.748 176.117 -0.058 0.000 1.014 61 I CA -1.099 60.089 61.300 -0.187 0.000 1.106 61 I CB 1.650 39.441 38.000 -0.349 0.000 1.311 61 I HN 0.400 8.610 8.210 0.000 0.000 0.502 62 K N 3.847 124.202 120.400 -0.076 0.000 2.541 62 K HA 0.553 4.874 4.320 0.002 0.000 0.250 62 K C -1.626 174.918 176.600 -0.093 0.000 0.950 62 K CA -0.572 55.684 56.287 -0.051 0.000 0.805 62 K CB 1.795 34.252 32.500 -0.072 0.000 1.166 62 K HN 0.729 8.979 8.250 0.000 0.000 0.430 63 I N 3.644 124.192 120.570 -0.036 0.000 2.325 63 I HA 0.165 4.336 4.170 0.002 0.000 0.291 63 I C -0.530 175.500 176.117 -0.145 0.000 1.019 63 I CA -0.828 60.421 61.300 -0.085 0.000 1.302 63 I CB 1.159 39.177 38.000 0.030 0.000 1.401 63 I HN 0.550 8.760 8.210 0.000 0.000 0.485 64 N N 4.537 123.020 118.700 -0.362 0.000 2.419 64 N HA 0.520 5.261 4.740 0.002 0.000 0.277 64 N C 0.492 175.916 175.510 -0.142 0.000 1.006 64 N CA -0.095 52.746 53.050 -0.349 0.000 0.923 64 N CB 1.689 39.729 38.487 -0.745 0.000 1.140 64 N HN 0.874 9.254 8.380 0.000 0.000 0.488 65 G N 1.153 109.947 108.800 -0.010 0.000 2.165 65 G HA2 -0.244 3.717 3.960 0.002 0.000 0.226 65 G HA3 -0.244 3.717 3.960 0.002 0.000 0.226 65 G C -0.942 174.042 174.900 0.141 0.000 1.035 65 G CA -0.075 45.065 45.100 0.066 0.000 0.744 65 G HN 0.671 8.961 8.290 0.000 0.000 0.501 66 Y N -0.653 119.635 120.300 -0.019 0.000 2.318 66 Y HA 0.469 5.020 4.550 0.001 0.000 0.317 66 Y C -0.933 174.970 175.900 0.006 0.000 1.290 66 Y CA -0.192 57.906 58.100 -0.004 0.000 1.177 66 Y CB 1.034 39.493 38.460 -0.003 0.000 1.307 66 Y HN 0.354 8.634 8.280 0.000 0.000 0.428 67 T N 4.540 118.889 114.554 -0.342 0.000 3.050 67 T HA 0.785 5.136 4.350 0.002 0.000 0.310 67 T C -0.345 174.163 174.700 -0.320 0.000 0.978 67 T CA -0.158 61.876 62.100 -0.111 0.000 1.013 67 T CB 1.038 69.850 68.868 -0.092 0.000 1.000 67 T HN 1.230 9.470 8.240 0.000 0.000 0.447 68 G N 3.854 112.694 108.800 0.066 0.000 2.324 68 G HA2 0.451 4.412 3.960 0.002 0.000 0.293 68 G HA3 0.451 4.412 3.960 0.002 0.000 0.293 68 G C -3.360 171.776 174.900 0.394 0.000 1.297 68 G CA -0.951 44.206 45.100 0.096 0.000 0.853 68 G HN 0.426 8.716 8.290 0.000 0.000 0.535 69 P HA 0.431 4.851 4.420 0.000 0.000 0.264 69 P C 0.616 178.001 177.300 0.141 0.000 1.179 69 P CA 1.604 64.809 63.100 0.175 0.000 0.763 69 P CB 1.008 32.780 31.700 0.120 0.000 0.806 70 G N 0.617 109.443 108.800 0.043 0.000 2.321 70 G HA2 0.560 4.521 3.960 0.002 0.000 0.296 70 G HA3 0.560 4.521 3.960 0.002 0.000 0.296 70 G C -1.468 173.406 174.900 -0.043 0.000 1.287 70 G CA -0.188 44.883 45.100 -0.048 0.000 0.846 70 G HN 0.650 8.940 8.290 0.000 0.000 0.508 71 T N -3.200 111.312 114.554 -0.070 0.000 2.894 71 T HA 0.759 5.111 4.350 0.002 0.000 0.309 71 T C -1.566 173.106 174.700 -0.046 0.000 1.208 71 T CA -0.561 61.511 62.100 -0.047 0.000 1.016 71 T CB 1.837 70.678 68.868 -0.044 0.000 1.192 71 T HN 1.842 10.082 8.240 0.000 0.000 0.491 72 V N 1.438 121.352 119.914 0.001 0.000 2.638 72 V HA 0.814 4.935 4.120 0.002 0.000 0.306 72 V C -0.883 175.237 176.094 0.043 0.000 1.052 72 V CA -0.951 61.375 62.300 0.044 0.000 0.885 72 V CB 1.828 33.751 31.823 0.167 0.000 0.999 72 V HN 1.145 9.335 8.190 0.000 0.000 0.424 73 R N 6.731 127.229 120.500 -0.004 0.000 2.439 73 R HA 0.587 4.928 4.340 0.002 0.000 0.310 73 R C -1.590 174.675 176.300 -0.058 0.000 0.955 73 R CA -0.736 55.347 56.100 -0.030 0.000 0.853 73 R CB 1.416 31.618 30.300 -0.163 0.000 1.171 73 R HN 0.622 8.892 8.270 0.000 0.000 0.449 74 I N 3.294 123.864 120.570 0.001 0.000 2.312 74 I HA 0.229 4.400 4.170 0.002 0.000 0.290 74 I C 0.141 176.160 176.117 -0.164 0.000 1.008 74 I CA -0.150 61.011 61.300 -0.232 0.000 1.226 74 I CB 0.933 38.695 38.000 -0.397 0.000 1.371 74 I HN 0.550 8.760 8.210 0.000 0.000 0.468 75 S N 6.569 122.121 115.700 -0.247 0.000 2.532 75 S HA 0.661 5.132 4.470 0.002 0.000 0.301 75 S C -0.812 173.681 174.600 -0.178 0.000 1.083 75 S CA -0.561 57.544 58.200 -0.159 0.000 1.025 75 S CB 1.370 64.477 63.200 -0.156 0.000 1.056 75 S HN 0.358 8.668 8.310 0.000 0.000 0.494 76 L N 5.011 126.169 121.223 -0.108 0.000 2.281 76 L HA 0.537 4.878 4.340 0.002 0.000 0.285 76 L C -0.029 176.825 176.870 -0.027 0.000 1.074 76 L CA 0.219 54.996 54.840 -0.105 0.000 0.817 76 L CB 0.897 42.906 42.059 -0.083 0.000 1.168 76 L HN 0.608 8.838 8.230 0.000 0.000 0.434 77 V N 0.300 120.200 119.914 -0.024 0.000 3.164 77 V HA 0.804 4.925 4.120 0.002 0.000 0.313 77 V C 0.128 176.302 176.094 0.134 0.000 1.188 77 V CA -0.654 61.696 62.300 0.083 0.000 1.058 77 V CB 1.567 33.459 31.823 0.114 0.000 1.110 77 V HN 0.745 8.935 8.190 0.000 0.000 0.453 78 T N -1.410 113.287 114.554 0.238 0.000 2.860 78 T HA 0.264 4.616 4.350 0.002 0.000 0.299 78 T C 0.846 175.679 174.700 0.221 0.000 1.045 78 T CA 0.420 62.696 62.100 0.293 0.000 1.071 78 T CB 1.122 70.157 68.868 0.279 0.000 0.985 78 T HN 1.066 9.306 8.240 0.000 0.000 0.537 79 K N 0.803 121.296 120.400 0.155 0.000 1.973 79 K HA -0.114 4.207 4.320 0.002 0.000 0.212 79 K C 0.038 176.744 176.600 0.176 0.000 1.047 79 K CA 1.301 57.645 56.287 0.095 0.000 0.937 79 K CB -0.232 32.299 32.500 0.052 0.000 0.721 79 K HN 0.692 8.942 8.250 0.000 0.000 0.440 80 D N 0.316 120.784 120.400 0.113 0.000 2.313 80 D HA 0.102 4.743 4.640 0.002 0.000 0.247 80 D C -1.720 174.456 176.300 -0.207 0.000 1.094 80 D CA -1.943 52.073 54.000 0.027 0.000 0.925 80 D CB 0.805 41.604 40.800 -0.002 0.000 1.188 80 D HN -0.055 8.315 8.370 0.000 0.000 0.430 81 P HA -0.231 4.189 4.420 0.000 0.000 0.227 81 P C -2.007 174.775 177.300 -0.862 0.000 0.926 81 P CA 2.132 64.873 63.100 -0.599 0.000 1.077 81 P CB -1.050 30.490 31.700 -0.266 0.000 0.699 82 P HA 0.024 4.444 4.420 0.000 0.000 0.263 82 P C -0.665 176.457 177.300 -0.296 0.000 1.601 82 P CA 0.381 63.282 63.100 -0.332 0.000 1.161 82 P CB -0.763 30.833 31.700 -0.173 0.000 1.730 83 H N 3.576 122.539 119.070 -0.180 0.000 3.629 83 H HA 0.088 4.645 4.556 0.001 0.000 0.245 83 H C 0.804 176.175 175.328 0.073 0.000 1.599 83 H CA 0.287 56.276 56.048 -0.098 0.000 1.557 83 H CB -0.444 29.135 29.762 -0.305 0.000 1.823 83 H HN 0.247 8.527 8.280 0.000 0.000 0.614 84 R N 2.624 123.229 120.500 0.175 0.000 2.582 84 R HA 0.154 4.495 4.340 0.002 0.000 0.271 84 R C -2.169 174.243 176.300 0.188 0.000 1.078 84 R CA -1.665 54.548 56.100 0.188 0.000 1.127 84 R CB 0.015 30.453 30.300 0.231 0.000 1.038 84 R HN 0.311 8.581 8.270 0.000 0.000 0.500 85 P HA -0.091 4.329 4.420 0.000 0.000 0.267 85 P C -0.803 176.464 177.300 -0.056 0.000 1.209 85 P CA 0.424 63.551 63.100 0.045 0.000 0.763 85 P CB 0.572 32.279 31.700 0.011 0.000 0.816 86 H N 5.478 124.462 119.070 -0.144 0.000 2.732 86 H HA 0.075 4.632 4.556 0.002 0.000 0.351 86 H C -1.394 173.738 175.328 -0.327 0.000 1.090 86 H CA -1.206 54.668 56.048 -0.290 0.000 1.431 86 H CB 0.875 30.505 29.762 -0.218 0.000 1.447 86 H HN 0.244 8.524 8.280 0.000 0.000 0.582 87 P HA -0.106 4.314 4.420 0.000 0.000 0.218 87 P C -0.044 177.239 177.300 -0.028 0.000 1.149 87 P CA 1.028 63.889 63.100 -0.398 0.000 0.817 87 P CB 0.105 31.472 31.700 -0.556 0.000 0.785 88 H N 0.381 119.510 119.070 0.098 0.000 2.790 88 H HA 0.167 4.724 4.556 0.002 0.000 0.358 88 H C 0.566 175.834 175.328 -0.101 0.000 1.103 88 H CA -0.004 56.031 56.048 -0.023 0.000 1.426 88 H CB -0.102 29.581 29.762 -0.132 0.000 1.424 88 H HN 0.160 8.440 8.280 0.000 0.000 0.599 89 E N 1.865 122.041 120.200 -0.039 0.000 2.166 89 E HA 0.176 4.527 4.350 0.002 0.000 0.275 89 E C -0.509 176.017 176.600 -0.124 0.000 0.941 89 E CA -1.044 55.308 56.400 -0.080 0.000 0.784 89 E CB 1.997 31.646 29.700 -0.085 0.000 1.115 89 E HN 0.144 8.504 8.360 0.000 0.000 0.399 90 L N 4.587 125.754 121.223 -0.094 0.000 2.278 90 L HA 0.174 4.515 4.340 0.002 0.000 0.287 90 L C -0.585 176.246 176.870 -0.065 0.000 1.072 90 L CA -0.249 54.536 54.840 -0.092 0.000 0.819 90 L CB 0.860 42.881 42.059 -0.063 0.000 1.176 90 L HN 0.309 8.539 8.230 0.000 0.000 0.435 91 V N 2.384 122.263 119.914 -0.059 0.000 2.769 91 V HA 1.127 5.248 4.120 0.002 0.000 0.312 91 V C 0.088 176.183 176.094 0.001 0.000 1.061 91 V CA 0.233 62.512 62.300 -0.035 0.000 0.931 91 V CB 1.149 32.944 31.823 -0.045 0.000 1.010 91 V HN 0.969 9.159 8.190 0.000 0.000 0.433 92 G N 2.470 111.282 108.800 0.020 0.000 2.347 92 G HA2 0.215 4.176 3.960 0.002 0.000 0.224 92 G HA3 0.215 4.176 3.960 0.002 0.000 0.224 92 G C -0.996 173.948 174.900 0.074 0.000 1.318 92 G CA -0.402 44.726 45.100 0.046 0.000 1.016 92 G HN 1.188 9.478 8.290 0.000 0.000 0.469 93 K N 1.589 122.057 120.400 0.113 0.000 2.416 93 K HA 0.450 4.771 4.320 0.002 0.000 0.283 93 K C 0.341 177.062 176.600 0.202 0.000 1.037 93 K CA 1.193 57.559 56.287 0.133 0.000 0.995 93 K CB 0.013 32.597 32.500 0.140 0.000 0.938 93 K HN 0.581 8.831 8.250 0.000 0.000 0.475 94 D N 1.664 122.105 120.400 0.068 0.000 3.090 94 D HA -0.192 4.449 4.640 0.002 0.000 0.215 94 D C -0.558 175.678 176.300 -0.107 0.000 1.140 94 D CA 0.822 54.788 54.000 -0.057 0.000 0.937 94 D CB -1.735 38.957 40.800 -0.180 0.000 1.108 94 D HN 0.487 8.857 8.370 0.000 0.000 0.420 95 C N 0.170 119.458 119.300 -0.021 0.000 2.345 95 C HA 0.922 5.383 4.460 0.002 0.000 0.370 95 C C 0.795 175.667 174.990 -0.197 0.000 1.209 95 C CA -0.542 58.428 59.018 -0.081 0.000 2.133 95 C CB 1.638 29.384 27.740 0.009 0.000 2.293 95 C HN 0.471 8.701 8.230 0.000 0.000 0.544 96 R N -0.883 119.394 120.500 -0.371 0.000 2.828 96 R HA 0.403 4.744 4.340 0.002 0.000 0.280 96 R C -1.338 174.568 176.300 -0.657 0.000 1.020 96 R CA -0.691 55.160 56.100 -0.415 0.000 0.855 96 R CB -0.236 29.840 30.300 -0.372 0.000 1.278 96 R HN 0.535 8.805 8.270 0.000 0.000 0.495 97 D N 0.209 120.367 120.400 -0.404 0.000 2.782 97 D HA -0.164 4.477 4.640 0.002 0.000 0.231 97 D C 1.005 177.184 176.300 -0.203 0.000 1.163 97 D CA 2.648 56.479 54.000 -0.281 0.000 0.680 97 D CB -1.078 39.594 40.800 -0.213 0.000 1.062 97 D HN 1.182 9.552 8.370 0.000 0.000 0.425 98 G N -1.354 107.326 108.800 -0.201 0.000 2.143 98 G HA2 -0.260 3.701 3.960 0.002 0.000 0.248 98 G HA3 -0.260 3.701 3.960 0.002 0.000 0.248 98 G C 0.001 174.904 174.900 0.005 0.000 0.991 98 G CA 0.607 45.659 45.100 -0.081 0.000 0.689 98 G HN 0.941 9.231 8.290 0.000 0.000 0.522 99 Y N -2.548 117.728 120.300 -0.039 0.000 2.588 99 Y HA 0.763 5.315 4.550 0.002 0.000 0.343 99 Y C -0.676 175.233 175.900 0.016 0.000 1.065 99 Y CA -3.376 54.703 58.100 -0.035 0.000 1.038 99 Y CB 0.769 39.193 38.460 -0.060 0.000 1.297 99 Y HN 0.501 8.781 8.280 0.000 0.000 0.467 100 Y N 1.509 121.897 120.300 0.145 0.000 2.387 100 Y HA 0.698 5.249 4.550 0.002 0.000 0.336 100 Y C -0.856 175.133 175.900 0.149 0.000 1.067 100 Y CA -0.729 57.410 58.100 0.066 0.000 1.114 100 Y CB 1.670 40.110 38.460 -0.034 0.000 1.208 100 Y HN 0.913 9.193 8.280 0.000 0.000 0.458 101 E N 4.129 124.027 120.200 -0.502 0.000 2.347 101 E HA 0.718 5.069 4.350 0.002 0.000 0.285 101 E C -1.975 174.314 176.600 -0.518 0.000 0.925 101 E CA -0.663 55.525 56.400 -0.354 0.000 0.779 101 E CB 1.613 31.322 29.700 0.015 0.000 1.233 101 E HN 0.954 9.314 8.360 0.000 0.000 0.414 102 A N 3.265 125.887 122.820 -0.330 0.000 0.000 102 A HA 0.507 4.828 4.320 0.002 0.000 0.000 102 A C -1.627 175.935 177.584 -0.038 0.000 0.000 102 A CA -0.853 51.074 52.037 -0.183 0.000 0.000 102 A CB 1.118 20.003 19.000 -0.192 0.000 0.000 102 A HN 0.570 8.720 8.150 0.000 0.000 0.000 103 D N 0.046 120.446 120.400 0.000 0.000 2.312 103 D HA 0.516 5.157 4.640 0.002 0.000 0.248 103 D C -0.596 175.733 176.300 0.048 0.000 1.086 103 D CA -0.013 53.998 54.000 0.018 0.000 0.948 103 D CB 1.034 41.846 40.800 0.018 0.000 1.162 103 D HN 0.221 8.591 8.370 0.000 0.000 0.446 104 L N 0.804 122.039 121.223 0.019 0.000 2.357 104 L HA 0.157 4.498 4.340 0.002 0.000 0.273 104 L C 0.092 177.033 176.870 0.118 0.000 1.080 104 L CA -0.746 54.082 54.840 -0.020 0.000 0.803 104 L CB 1.127 43.106 42.059 -0.133 0.000 1.174 104 L HN 0.506 8.736 8.230 0.000 0.000 0.443 105 C N 7.197 126.665 119.300 0.280 0.000 2.663 105 C HA 0.158 4.619 4.460 0.002 0.000 0.398 105 C C -0.522 174.593 174.990 0.208 0.000 1.356 105 C CA -1.157 57.987 59.018 0.209 0.000 1.629 105 C CB -0.303 27.523 27.740 0.143 0.000 2.402 105 C HN 0.721 8.951 8.230 0.000 0.000 0.598 106 P HA -0.131 4.289 4.420 0.000 0.000 0.221 106 P C 0.447 177.798 177.300 0.085 0.000 1.145 106 P CA 1.747 64.920 63.100 0.121 0.000 0.795 106 P CB 0.001 31.749 31.700 0.080 0.000 0.775 107 D N -1.938 118.495 120.400 0.055 0.000 2.463 107 D HA 0.129 4.770 4.640 0.002 0.000 0.224 107 D C 0.584 176.878 176.300 -0.010 0.000 1.174 107 D CA -0.395 53.614 54.000 0.014 0.000 0.829 107 D CB 0.020 40.818 40.800 -0.003 0.000 0.993 107 D HN 0.079 8.449 8.370 0.000 0.000 0.497 108 R N -0.629 119.871 120.500 -0.000 0.000 2.698 108 R HA 0.398 4.739 4.340 0.002 0.000 0.275 108 R C -0.353 175.890 176.300 -0.096 0.000 1.001 108 R CA -0.440 55.598 56.100 -0.104 0.000 0.896 108 R CB 1.854 32.020 30.300 -0.223 0.000 1.218 108 R HN -0.068 8.202 8.270 0.000 0.000 0.462 109 S N 2.982 118.612 115.700 -0.118 0.000 2.535 109 S HA 0.345 4.816 4.470 0.002 0.000 0.214 109 S C 0.311 174.867 174.600 -0.073 0.000 0.980 109 S CA -0.194 58.004 58.200 -0.002 0.000 0.907 109 S CB 0.221 63.418 63.200 -0.005 0.000 0.790 109 S HN 0.457 8.767 8.310 0.000 0.000 0.510 110 I N 2.108 122.457 120.570 -0.367 0.000 2.465 110 I HA 0.412 4.583 4.170 0.002 0.000 0.291 110 I C -1.381 174.372 176.117 -0.606 0.000 1.014 110 I CA -0.876 60.252 61.300 -0.288 0.000 1.093 110 I CB 1.678 39.568 38.000 -0.183 0.000 1.267 110 I HN 0.231 8.441 8.210 0.000 0.000 0.431 111 H N 2.950 121.927 119.070 -0.154 0.000 2.840 111 H HA 0.403 4.959 4.556 0.002 0.000 0.340 111 H C -0.686 174.339 175.328 -0.504 0.000 1.004 111 H CA -0.950 54.908 56.048 -0.317 0.000 1.288 111 H CB 1.553 31.130 29.762 -0.307 0.000 1.607 111 H HN 0.463 8.743 8.280 0.000 0.000 0.522 112 S N 1.878 117.324 115.700 -0.423 0.000 2.565 112 S HA 0.657 5.128 4.470 0.002 0.000 0.290 112 S C -0.718 173.501 174.600 -0.635 0.000 1.150 112 S CA -0.895 57.105 58.200 -0.334 0.000 1.058 112 S CB 0.896 64.028 63.200 -0.113 0.000 1.032 112 S HN 0.368 8.678 8.310 0.000 0.000 0.510 113 F N 1.607 121.559 119.950 0.003 0.000 2.366 113 F HA 0.358 4.886 4.527 0.001 0.000 0.366 113 F C 1.378 177.125 175.800 -0.088 0.000 1.096 113 F CA -0.760 57.186 58.000 -0.089 0.000 1.060 113 F CB 1.570 40.434 39.000 -0.226 0.000 1.282 113 F HN 0.680 8.980 8.300 0.000 0.000 0.450 114 Q N 0.737 120.482 119.800 -0.091 0.000 2.365 114 Q HA 0.118 4.459 4.340 0.002 0.000 0.203 114 Q C -0.274 175.694 176.000 -0.053 0.000 0.929 114 Q CA 0.426 56.071 55.803 -0.264 0.000 0.948 114 Q CB -0.031 28.344 28.738 -0.605 0.000 1.043 114 Q HN 0.671 8.941 8.270 0.000 0.000 0.505 115 N N 1.069 119.781 118.700 0.020 0.000 2.723 115 N HA 0.303 5.044 4.740 0.002 0.000 0.290 115 N C -1.467 174.063 175.510 0.034 0.000 1.882 115 N CA -0.102 52.975 53.050 0.046 0.000 0.851 115 N CB 0.778 39.304 38.487 0.064 0.000 1.234 115 N HN 0.062 8.442 8.380 0.000 0.000 0.491 116 L N 0.885 122.125 121.223 0.028 0.000 2.272 116 L HA 0.650 4.992 4.340 0.002 0.000 0.289 116 L C 0.492 177.369 176.870 0.012 0.000 1.032 116 L CA -0.766 54.065 54.840 -0.015 0.000 0.810 116 L CB 1.673 43.703 42.059 -0.048 0.000 1.205 116 L HN 0.169 8.399 8.230 0.000 0.000 0.422 117 G N 3.663 112.458 108.800 -0.008 0.000 2.643 117 G HA2 0.673 4.634 3.960 0.002 0.000 0.305 117 G HA3 0.673 4.634 3.960 0.002 0.000 0.305 117 G C -1.243 173.619 174.900 -0.062 0.000 1.387 117 G CA -0.402 44.694 45.100 -0.007 0.000 0.982 117 G HN 0.330 8.620 8.290 0.000 0.000 0.501 118 I N 1.002 121.525 120.570 -0.079 0.000 2.353 118 I HA 0.335 4.506 4.170 0.002 0.000 0.293 118 I C 0.281 176.259 176.117 -0.230 0.000 0.992 118 I CA -0.221 60.934 61.300 -0.241 0.000 1.268 118 I CB 1.930 39.636 38.000 -0.490 0.000 1.387 118 I HN 0.386 8.596 8.210 0.000 0.000 0.478 119 Q N 6.278 125.894 119.800 -0.305 0.000 2.327 119 Q HA 0.456 4.797 4.340 0.002 0.000 0.270 119 Q C -1.025 174.637 176.000 -0.565 0.000 1.022 119 Q CA -0.795 54.831 55.803 -0.295 0.000 0.773 119 Q CB 1.616 30.249 28.738 -0.174 0.000 1.251 119 Q HN 0.901 9.171 8.270 0.000 0.000 0.457 120 C N 2.098 120.919 119.300 -0.798 0.000 2.398 120 C HA 0.853 5.314 4.460 0.002 0.000 0.364 120 C C 0.692 175.269 174.990 -0.687 0.000 1.219 120 C CA -0.743 57.407 59.018 -1.447 0.000 2.312 120 C CB -0.191 26.815 27.740 -1.222 0.000 2.428 120 C HN 0.632 8.862 8.230 0.000 0.000 0.564 121 V N 0.669 120.479 119.914 -0.174 0.000 3.234 121 V HA 0.612 4.733 4.120 0.002 0.000 0.317 121 V C -0.180 175.929 176.094 0.026 0.000 1.081 121 V CA -0.824 61.461 62.300 -0.026 0.000 1.037 121 V CB 0.526 32.389 31.823 0.067 0.000 1.148 121 V HN 0.964 9.154 8.190 0.000 0.000 0.453 122 K N 0.338 120.786 120.400 0.080 0.000 2.118 122 K HA 0.366 4.687 4.320 0.002 0.000 0.267 122 K C 0.467 177.130 176.600 0.105 0.000 0.991 122 K CA -0.698 55.679 56.287 0.149 0.000 0.916 122 K CB 1.257 33.854 32.500 0.161 0.000 1.041 122 K HN 0.660 8.910 8.250 0.000 0.000 0.455 123 K N 2.293 122.762 120.400 0.115 0.000 2.362 123 K HA -0.187 4.134 4.320 0.002 0.000 0.202 123 K C 1.805 178.443 176.600 0.063 0.000 1.045 123 K CA 1.449 57.785 56.287 0.082 0.000 0.936 123 K CB -0.063 32.488 32.500 0.085 0.000 0.747 123 K HN 0.531 8.781 8.250 0.000 0.000 0.467 124 R N 0.032 120.571 120.500 0.066 0.000 2.055 124 R HA -0.030 4.311 4.340 0.002 0.000 0.226 124 R C 0.499 176.823 176.300 0.040 0.000 1.135 124 R CA 1.722 57.853 56.100 0.051 0.000 0.959 124 R CB -0.027 30.305 30.300 0.053 0.000 0.854 124 R HN 0.110 8.380 8.270 0.000 0.000 0.431 125 D N 1.832 122.257 120.400 0.041 0.000 2.352 125 D HA -0.048 4.594 4.640 0.002 0.000 0.236 125 D C 1.407 177.714 176.300 0.013 0.000 1.148 125 D CA -0.047 53.969 54.000 0.026 0.000 0.844 125 D CB 0.429 41.245 40.800 0.027 0.000 0.933 125 D HN 0.193 8.563 8.370 0.000 0.000 0.507 126 L N 1.533 122.765 121.223 0.015 0.000 1.944 126 L HA -0.216 4.125 4.340 0.002 0.000 0.218 126 L C 2.104 178.967 176.870 -0.012 0.000 1.075 126 L CA 1.947 56.784 54.840 -0.005 0.000 0.767 126 L CB -0.604 41.470 42.059 0.025 0.000 0.890 126 L HN 0.044 8.274 8.230 0.000 0.000 0.434 127 E N -0.461 119.748 120.200 0.015 0.000 2.114 127 E HA -0.336 4.015 4.350 0.002 0.000 0.199 127 E C 1.958 178.560 176.600 0.004 0.000 1.008 127 E CA 1.703 58.114 56.400 0.019 0.000 0.810 127 E CB -0.413 29.301 29.700 0.023 0.000 0.739 127 E HN 0.644 9.004 8.360 0.000 0.000 0.456 128 Q N 0.439 120.240 119.800 0.001 0.000 2.170 128 Q HA -0.116 4.225 4.340 0.002 0.000 0.203 128 Q C 2.054 178.046 176.000 -0.013 0.000 0.976 128 Q CA 1.427 57.229 55.803 -0.002 0.000 0.858 128 Q CB -0.035 28.703 28.738 0.001 0.000 0.907 128 Q HN 0.253 8.523 8.270 0.000 0.000 0.433 129 A N 0.854 123.657 122.820 -0.028 0.000 1.872 129 A HA -0.121 4.200 4.320 0.002 0.000 0.214 129 A C 1.975 179.522 177.584 -0.062 0.000 1.187 129 A CA 1.213 53.221 52.037 -0.049 0.000 0.614 129 A CB -0.630 18.326 19.000 -0.073 0.000 0.826 129 A HN 0.467 8.617 8.150 0.000 0.000 0.442 130 I N 1.157 121.683 120.570 -0.073 0.000 2.264 130 I HA -0.294 3.877 4.170 0.002 0.000 0.248 130 I C 2.855 178.963 176.117 -0.015 0.000 1.111 130 I CA 1.649 62.914 61.300 -0.058 0.000 1.382 130 I CB -0.470 37.531 38.000 0.001 0.000 1.060 130 I HN 0.515 8.725 8.210 0.000 0.000 0.418 131 S N 0.494 116.191 115.700 -0.005 0.000 2.382 131 S HA -0.319 4.152 4.470 0.002 0.000 0.228 131 S C 2.004 176.605 174.600 0.003 0.000 1.027 131 S CA 1.443 59.645 58.200 0.004 0.000 0.991 131 S CB -0.646 62.557 63.200 0.005 0.000 0.823 131 S HN 0.583 8.893 8.310 0.000 0.000 0.469 132 Q N 0.644 120.441 119.800 -0.004 0.000 2.291 132 Q HA -0.058 4.283 4.340 0.002 0.000 0.205 132 Q C 2.002 178.010 176.000 0.015 0.000 0.970 132 Q CA 0.619 56.424 55.803 0.003 0.000 0.876 132 Q CB 0.003 28.738 28.738 -0.005 0.000 0.935 132 Q HN 0.430 8.700 8.270 0.000 0.000 0.455 133 R N 0.168 120.670 120.500 0.004 0.000 2.115 133 R HA -0.041 4.300 4.340 0.002 0.000 0.226 133 R C 2.122 178.431 176.300 0.016 0.000 1.100 133 R CA 0.604 56.712 56.100 0.012 0.000 0.980 133 R CB -0.311 29.982 30.300 -0.012 0.000 0.875 133 R HN 0.331 8.601 8.270 0.000 0.000 0.445 134 I N 1.759 122.337 120.570 0.014 0.000 2.162 134 I HA -0.224 3.947 4.170 0.002 0.000 0.238 134 I C 2.506 178.634 176.117 0.017 0.000 1.076 134 I CA 1.337 62.648 61.300 0.017 0.000 1.353 134 I CB -1.442 36.569 38.000 0.019 0.000 1.063 134 I HN 0.132 8.342 8.210 0.000 0.000 0.408 135 Q N 0.163 119.974 119.800 0.017 0.000 2.181 135 Q HA -0.196 4.145 4.340 0.002 0.000 0.205 135 Q C 1.854 177.868 176.000 0.024 0.000 0.980 135 Q CA 2.373 58.186 55.803 0.017 0.000 0.862 135 Q CB -1.017 27.730 28.738 0.014 0.000 0.905 135 Q HN 0.332 8.602 8.270 0.000 0.000 0.429 136 T N -0.366 114.210 114.554 0.037 0.000 3.144 136 T HA 0.128 4.479 4.350 0.002 0.000 0.249 136 T C -0.612 174.108 174.700 0.034 0.000 1.089 136 T CA 0.161 62.298 62.100 0.061 0.000 0.989 136 T CB -0.820 68.123 68.868 0.125 0.000 0.992 136 T HN 0.656 8.896 8.240 0.000 0.000 0.540 137 N N 2.142 120.847 118.700 0.009 0.000 2.648 137 N HA -0.173 4.569 4.740 0.002 0.000 0.265 137 N C -1.146 174.322 175.510 -0.069 0.000 1.100 137 N CA 0.084 53.122 53.050 -0.020 0.000 0.715 137 N CB -0.874 37.598 38.487 -0.025 0.000 0.881 137 N HN 0.284 8.664 8.380 0.000 0.000 0.548 138 N N 1.638 120.305 118.700 -0.054 0.000 2.623 138 N HA 0.405 5.146 4.740 0.002 0.000 0.256 138 N C -1.706 173.762 175.510 -0.071 0.000 1.045 138 N CA -0.636 52.355 53.050 -0.099 0.000 0.863 138 N CB 0.717 39.181 38.487 -0.039 0.000 1.182 138 N HN 0.421 8.801 8.380 0.000 0.000 0.523 139 N N 3.897 122.530 118.700 -0.112 0.000 3.111 139 N HA 0.192 4.933 4.740 0.002 0.000 0.200 139 N C -2.326 173.031 175.510 -0.255 0.000 1.464 139 N CA -1.001 51.994 53.050 -0.092 0.000 0.758 139 N CB 1.234 39.709 38.487 -0.020 0.000 1.548 139 N HN 0.283 8.663 8.380 0.000 0.000 0.595 140 P HA -0.037 4.383 4.420 0.000 0.000 0.221 140 P C 0.255 177.065 177.300 -0.818 0.000 1.145 140 P CA 0.999 63.762 63.100 -0.562 0.000 0.795 140 P CB 0.031 31.418 31.700 -0.522 0.000 0.775 141 F N -1.970 117.813 119.950 -0.279 0.000 2.708 141 F HA 0.247 4.775 4.527 0.001 0.000 0.300 141 F C 0.587 176.331 175.800 -0.093 0.000 1.118 141 F CA -0.600 57.309 58.000 -0.152 0.000 1.307 141 F CB -1.239 37.764 39.000 0.005 0.000 0.986 141 F HN -0.074 8.226 8.300 0.000 0.000 0.522 142 H N -1.430 117.701 119.070 0.103 0.000 2.518 142 H HA -0.171 4.386 4.556 0.001 0.000 0.320 142 H C 0.256 175.632 175.328 0.081 0.000 1.041 142 H CA 0.026 56.113 56.048 0.064 0.000 1.129 142 H CB -1.825 27.957 29.762 0.034 0.000 1.453 142 H HN -0.009 8.271 8.280 0.000 0.000 0.399 143 V N 1.201 121.211 119.914 0.160 0.000 2.540 143 V HA 0.015 4.136 4.120 0.002 0.000 0.297 143 V C -1.369 174.778 176.094 0.088 0.000 1.024 143 V CA -0.945 61.423 62.300 0.113 0.000 1.105 143 V CB 0.551 32.427 31.823 0.089 0.000 0.938 143 V HN 0.188 8.378 8.190 0.000 0.000 0.482 144 P HA 0.058 4.478 4.420 0.000 0.000 0.266 144 P C 0.938 178.259 177.300 0.035 0.000 1.193 144 P CA -0.050 63.078 63.100 0.046 0.000 0.770 144 P CB 0.554 32.272 31.700 0.030 0.000 0.836 145 I N 1.861 122.449 120.570 0.031 0.000 2.335 145 I HA -0.269 3.902 4.170 0.002 0.000 0.251 145 I C 1.862 177.986 176.117 0.013 0.000 1.129 145 I CA 1.821 63.135 61.300 0.025 0.000 1.402 145 I CB -0.317 37.696 38.000 0.020 0.000 1.069 145 I HN 0.460 8.670 8.210 0.000 0.000 0.424 146 E N -0.315 119.889 120.200 0.008 0.000 2.046 146 E HA -0.203 4.148 4.350 0.002 0.000 0.190 146 E C 1.731 178.324 176.600 -0.012 0.000 0.982 146 E CA 1.009 57.407 56.400 -0.003 0.000 0.800 146 E CB -0.142 29.556 29.700 -0.003 0.000 0.756 146 E HN 0.371 8.731 8.360 0.000 0.000 0.449 147 E N 0.785 120.981 120.200 -0.008 0.000 2.511 147 E HA -0.068 4.283 4.350 0.002 0.000 0.196 147 E C 1.393 177.976 176.600 -0.029 0.000 1.066 147 E CA 0.376 56.764 56.400 -0.020 0.000 0.871 147 E CB 0.089 29.782 29.700 -0.012 0.000 0.863 147 E HN 0.252 8.612 8.360 0.000 0.000 0.520 148 Q N -0.134 119.658 119.800 -0.013 0.000 2.389 148 Q HA 0.082 4.423 4.340 0.002 0.000 0.204 148 Q C 0.139 176.099 176.000 -0.066 0.000 0.944 148 Q CA 0.184 55.984 55.803 -0.004 0.000 0.908 148 Q CB 0.293 29.058 28.738 0.045 0.000 1.002 148 Q HN 0.127 8.397 8.270 0.000 0.000 0.493 149 R N 0.250 120.707 120.500 -0.073 0.000 2.590 149 R HA 0.395 4.736 4.340 0.002 0.000 0.274 149 R C 0.189 176.382 176.300 -0.178 0.000 1.061 149 R CA 0.599 56.637 56.100 -0.103 0.000 1.081 149 R CB 0.649 30.910 30.300 -0.064 0.000 0.984 149 R HN 0.158 8.428 8.270 0.000 0.000 0.448 150 G N 1.450 110.116 108.800 -0.224 0.000 2.359 150 G HA2 -0.053 3.908 3.960 0.002 0.000 0.314 150 G HA3 -0.053 3.908 3.960 0.002 0.000 0.314 150 G C -1.749 172.937 174.900 -0.356 0.000 1.364 150 G CA -1.053 43.893 45.100 -0.257 0.000 0.978 150 G HN 0.467 8.757 8.290 0.000 0.000 0.615 151 D N -0.284 119.960 120.400 -0.259 0.000 2.341 151 D HA 0.550 5.191 4.640 0.002 0.000 0.245 151 D C -0.487 175.648 176.300 -0.274 0.000 1.106 151 D CA 0.641 54.523 54.000 -0.196 0.000 0.905 151 D CB 0.651 41.401 40.800 -0.083 0.000 1.202 151 D HN 0.324 8.694 8.370 0.000 0.000 0.426 152 Y N 0.468 120.725 120.300 -0.071 0.000 2.352 152 Y HA 0.180 4.731 4.550 0.002 0.000 0.339 152 Y C 0.289 176.153 175.900 -0.060 0.000 0.992 152 Y CA -1.053 56.980 58.100 -0.111 0.000 1.100 152 Y CB 1.466 39.782 38.460 -0.241 0.000 1.192 152 Y HN 0.183 8.463 8.280 0.000 0.000 0.458 153 D N 3.766 124.275 120.400 0.181 0.000 2.325 153 D HA 0.135 4.776 4.640 0.002 0.000 0.251 153 D C 0.157 176.598 176.300 0.235 0.000 1.196 153 D CA 0.248 54.352 54.000 0.173 0.000 0.866 153 D CB 0.873 41.773 40.800 0.167 0.000 1.101 153 D HN 0.594 8.964 8.370 0.000 0.000 0.476 154 L N 3.004 124.328 121.223 0.168 0.000 2.592 154 L HA 0.195 4.536 4.340 0.002 0.000 0.227 154 L C 0.674 177.729 176.870 0.309 0.000 1.127 154 L CA 0.130 55.059 54.840 0.148 0.000 0.884 154 L CB -0.234 41.897 42.059 0.119 0.000 1.065 154 L HN 0.333 8.563 8.230 0.000 0.000 0.457 155 N N 0.465 119.337 118.700 0.286 0.000 2.273 155 N HA 0.431 5.172 4.740 0.002 0.000 0.231 155 N C -0.078 175.634 175.510 0.337 0.000 1.134 155 N CA -0.115 53.129 53.050 0.322 0.000 0.856 155 N CB 0.945 39.566 38.487 0.223 0.000 1.068 155 N HN 0.208 8.588 8.380 0.000 0.000 0.510 156 A N 0.341 123.309 122.820 0.247 0.000 2.597 156 A HA 0.699 5.020 4.320 0.002 0.000 0.292 156 A C -1.164 176.292 177.584 -0.214 0.000 1.057 156 A CA -0.697 51.343 52.037 0.004 0.000 0.674 156 A CB 0.872 19.785 19.000 -0.146 0.000 1.278 156 A HN 0.073 8.223 8.150 0.000 0.000 0.416 157 V N -2.205 117.528 119.914 -0.302 0.000 3.258 157 V HA 0.894 5.015 4.120 0.002 0.000 0.298 157 V C -1.028 174.916 176.094 -0.251 0.000 1.489 157 V CA -1.161 60.927 62.300 -0.354 0.000 1.062 157 V CB 1.515 33.017 31.823 -0.534 0.000 1.116 157 V HN 1.209 9.399 8.190 0.000 0.000 0.464 158 R N 0.062 120.436 120.500 -0.209 0.000 2.771 158 R HA 0.806 5.147 4.340 0.002 0.000 0.274 158 R C -1.538 174.635 176.300 -0.212 0.000 0.987 158 R CA -0.797 55.199 56.100 -0.175 0.000 0.908 158 R CB 2.338 32.538 30.300 -0.166 0.000 1.213 158 R HN 0.739 9.009 8.270 0.000 0.000 0.468 159 L N 0.886 121.962 121.223 -0.245 0.000 2.307 159 L HA 0.486 4.827 4.340 0.002 0.000 0.282 159 L C -0.359 176.218 176.870 -0.488 0.000 1.051 159 L CA -0.748 53.830 54.840 -0.437 0.000 0.804 159 L CB 1.646 43.370 42.059 -0.559 0.000 1.197 159 L HN 0.556 8.786 8.230 0.000 0.000 0.431 160 C N 4.344 123.333 119.300 -0.519 0.000 2.335 160 C HA 0.508 4.969 4.460 0.002 0.000 0.318 160 C C -0.228 174.504 174.990 -0.431 0.000 1.150 160 C CA -0.865 57.944 59.018 -0.348 0.000 1.466 160 C CB -0.903 26.735 27.740 -0.171 0.000 2.024 160 C HN 0.560 8.790 8.230 0.000 0.000 0.429 161 F N 4.508 124.380 119.950 -0.130 0.000 2.438 161 F HA 0.385 4.913 4.527 0.002 0.000 0.360 161 F C 0.824 176.540 175.800 -0.139 0.000 1.118 161 F CA 0.068 57.982 58.000 -0.143 0.000 1.164 161 F CB 0.640 39.571 39.000 -0.114 0.000 1.131 161 F HN 0.488 8.788 8.300 0.000 0.000 0.527 162 Q N 3.209 122.997 119.800 -0.021 0.000 2.462 162 Q HA 0.453 4.794 4.340 0.002 0.000 0.247 162 Q C -0.870 175.102 176.000 -0.047 0.000 1.044 162 Q CA -0.603 55.153 55.803 -0.079 0.000 0.803 162 Q CB 1.797 30.437 28.738 -0.164 0.000 1.190 162 Q HN 0.437 8.707 8.270 0.000 0.000 0.507 163 V N 1.944 121.838 119.914 -0.033 0.000 2.509 163 V HA 0.352 4.473 4.120 0.002 0.000 0.284 163 V C 0.274 176.310 176.094 -0.097 0.000 1.047 163 V CA -0.329 61.937 62.300 -0.057 0.000 0.952 163 V CB 1.653 33.439 31.823 -0.062 0.000 0.988 163 V HN 0.673 8.863 8.190 0.000 0.000 0.469 164 T N 4.209 118.690 114.554 -0.122 0.000 3.064 164 T HA 0.424 4.775 4.350 0.002 0.000 0.367 164 T C 0.046 174.620 174.700 -0.210 0.000 1.202 164 T CA -0.331 61.686 62.100 -0.139 0.000 1.133 164 T CB 0.892 69.699 68.868 -0.101 0.000 1.074 164 T HN 0.615 8.855 8.240 0.000 0.000 0.519 165 V N 1.661 121.378 119.914 -0.329 0.000 4.129 165 V HA 0.685 4.807 4.120 0.002 0.000 0.269 165 V C -0.021 175.881 176.094 -0.319 0.000 1.086 165 V CA -0.989 60.946 62.300 -0.608 0.000 0.790 165 V CB 0.508 31.537 31.823 -1.324 0.000 1.195 165 V HN 0.619 8.809 8.190 0.000 0.000 0.397 166 R N 0.643 121.004 120.500 -0.232 0.000 2.574 166 R HA 0.436 4.777 4.340 0.002 0.000 0.288 166 R C -1.350 175.042 176.300 0.154 0.000 1.004 166 R CA -0.549 55.575 56.100 0.039 0.000 0.895 166 R CB 1.536 31.912 30.300 0.128 0.000 1.191 166 R HN 0.996 9.266 8.270 0.000 0.000 0.444 167 D N 2.804 123.256 120.400 0.087 0.000 2.352 167 D HA 0.006 4.648 4.640 0.002 0.000 0.238 167 D C -1.187 175.179 176.300 0.110 0.000 1.286 167 D CA -0.985 53.074 54.000 0.098 0.000 0.923 167 D CB 0.409 41.241 40.800 0.054 0.000 1.146 167 D HN 0.183 8.553 8.370 0.000 0.000 0.471 168 P HA -0.266 4.154 4.420 0.000 0.000 0.216 168 P C 1.208 178.535 177.300 0.045 0.000 1.150 168 P CA 1.884 65.019 63.100 0.059 0.000 0.843 168 P CB -0.165 31.561 31.700 0.042 0.000 0.787 169 A N -0.065 122.779 122.820 0.040 0.000 1.865 169 A HA 0.057 4.378 4.320 0.002 0.000 0.217 169 A C 2.108 179.712 177.584 0.033 0.000 1.191 169 A CA 2.741 54.796 52.037 0.030 0.000 0.623 169 A CB -1.408 17.607 19.000 0.025 0.000 0.826 169 A HN 0.366 8.516 8.150 0.000 0.000 0.444 170 G N -3.166 105.660 108.800 0.043 0.000 2.559 170 G HA2 0.001 3.962 3.960 0.002 0.000 0.202 170 G HA3 0.001 3.962 3.960 0.002 0.000 0.202 170 G C 0.156 175.079 174.900 0.038 0.000 0.992 170 G CA 0.218 45.345 45.100 0.045 0.000 0.764 170 G HN 0.580 8.870 8.290 0.000 0.000 0.525 171 R N 1.558 122.076 120.500 0.030 0.000 2.312 171 R HA 0.637 4.978 4.340 0.002 0.000 0.311 171 R C -2.358 173.949 176.300 0.012 0.000 1.004 171 R CA -2.061 54.050 56.100 0.018 0.000 0.902 171 R CB 0.398 30.706 30.300 0.012 0.000 1.073 171 R HN 0.023 8.293 8.270 0.000 0.000 0.457 172 P HA -0.178 4.242 4.420 0.000 0.000 0.266 172 P C -1.315 175.970 177.300 -0.025 0.000 1.162 172 P CA 0.459 63.548 63.100 -0.019 0.000 0.758 172 P CB 0.340 32.025 31.700 -0.024 0.000 0.774 173 L N 4.288 125.481 121.223 -0.050 0.000 2.446 173 L HA 0.458 4.799 4.340 0.002 0.000 0.268 173 L C -1.470 175.358 176.870 -0.071 0.000 0.975 173 L CA -0.755 54.057 54.840 -0.047 0.000 0.848 173 L CB 1.459 43.496 42.059 -0.036 0.000 1.225 173 L HN 0.098 8.328 8.230 0.000 0.000 0.410 174 L N 5.653 126.845 121.223 -0.051 0.000 2.278 174 L HA 0.482 4.823 4.340 0.002 0.000 0.287 174 L C -0.495 176.350 176.870 -0.043 0.000 1.072 174 L CA 0.233 55.038 54.840 -0.057 0.000 0.819 174 L CB 0.468 42.499 42.059 -0.046 0.000 1.176 174 L HN 0.656 8.886 8.230 0.000 0.000 0.435 175 L N 2.617 123.810 121.223 -0.050 0.000 2.505 175 L HA 0.322 4.663 4.340 0.002 0.000 0.226 175 L C 0.845 177.706 176.870 -0.015 0.000 1.211 175 L CA -0.548 54.281 54.840 -0.019 0.000 0.828 175 L CB 0.237 42.287 42.059 -0.015 0.000 1.331 175 L HN 0.566 8.796 8.230 0.000 0.000 0.513 176 T N 1.832 116.396 114.554 0.017 0.000 2.851 176 T HA 0.247 4.598 4.350 0.002 0.000 0.298 176 T C -2.288 172.405 174.700 -0.012 0.000 0.977 176 T CA -1.428 60.679 62.100 0.012 0.000 1.126 176 T CB 0.693 69.596 68.868 0.057 0.000 0.916 176 T HN 0.330 8.570 8.240 0.000 0.000 0.529 177 P HA 0.233 4.653 4.420 0.000 0.000 0.271 177 P C -0.736 176.561 177.300 -0.005 0.000 1.226 177 P CA -0.319 62.681 63.100 -0.166 0.000 0.765 177 P CB 0.973 32.353 31.700 -0.533 0.000 0.835 178 V N 4.893 124.858 119.914 0.085 0.000 2.815 178 V HA 0.454 4.575 4.120 0.002 0.000 0.314 178 V C -0.507 175.702 176.094 0.193 0.000 1.064 178 V CA -0.916 61.483 62.300 0.165 0.000 0.952 178 V CB 1.987 33.905 31.823 0.158 0.000 1.020 178 V HN 0.320 8.510 8.190 0.000 0.000 0.439 179 L N 3.789 125.105 121.223 0.155 0.000 2.313 179 L HA 0.748 5.090 4.340 0.002 0.000 0.268 179 L C 0.102 177.018 176.870 0.076 0.000 1.010 179 L CA 0.234 55.117 54.840 0.071 0.000 0.814 179 L CB 2.362 44.395 42.059 -0.044 0.000 1.304 179 L HN 0.873 9.103 8.230 0.000 0.000 0.441 180 S N -1.170 114.541 115.700 0.019 0.000 2.537 180 S HA 0.633 5.104 4.470 0.002 0.000 0.301 180 S C -0.636 173.936 174.600 -0.046 0.000 1.092 180 S CA -0.828 57.352 58.200 -0.033 0.000 1.048 180 S CB 1.113 64.315 63.200 0.003 0.000 1.053 180 S HN 0.641 8.951 8.310 0.000 0.000 0.501 181 H N -0.040 119.054 119.070 0.039 0.000 2.913 181 H HA 0.339 4.895 4.556 0.001 0.000 0.365 181 H C -2.661 172.645 175.328 -0.037 0.000 1.155 181 H CA -1.540 54.522 56.048 0.023 0.000 1.417 181 H CB -1.085 28.718 29.762 0.068 0.000 1.386 181 H HN 0.408 8.688 8.280 0.000 0.000 0.614 182 P HA -0.013 4.407 4.420 0.000 0.000 0.266 182 P C -0.295 176.768 177.300 -0.395 0.000 1.195 182 P CA 0.112 63.066 63.100 -0.244 0.000 0.768 182 P CB 0.735 32.173 31.700 -0.437 0.000 0.838 183 I N 3.420 123.763 120.570 -0.377 0.000 2.488 183 I HA 0.361 4.532 4.170 0.002 0.000 0.299 183 I C 0.445 176.369 176.117 -0.322 0.000 0.984 183 I CA -0.526 60.679 61.300 -0.158 0.000 1.250 183 I CB -0.020 38.019 38.000 0.064 0.000 1.389 183 I HN 0.261 8.471 8.210 0.000 0.000 0.488 184 F N 2.025 122.031 119.950 0.094 0.000 2.529 184 F HA 0.259 4.787 4.527 0.001 0.000 0.320 184 F C 0.331 175.971 175.800 -0.268 0.000 1.118 184 F CA -1.067 56.932 58.000 -0.002 0.000 0.915 184 F CB 1.317 40.300 39.000 -0.029 0.000 1.161 184 F HN 0.353 8.653 8.300 0.000 0.000 0.445 185 D N 1.625 121.844 120.400 -0.302 0.000 2.450 185 D HA -0.049 4.592 4.640 0.002 0.000 0.247 185 D C 0.345 176.471 176.300 -0.290 0.000 1.162 185 D CA 0.361 53.890 54.000 -0.784 0.000 0.879 185 D CB 0.559 40.985 40.800 -0.625 0.000 1.163 185 D HN 0.397 8.767 8.370 0.000 0.000 0.472 186 N N 2.973 121.502 118.700 -0.285 0.000 3.115 186 N HA 0.018 4.759 4.740 0.002 0.000 0.305 186 N C 0.385 175.837 175.510 -0.097 0.000 1.305 186 N CA 0.162 53.130 53.050 -0.136 0.000 1.154 186 N CB -0.279 38.144 38.487 -0.107 0.000 1.454 186 N HN 0.447 8.827 8.380 0.000 0.000 0.551 187 R N -0.783 119.668 120.500 -0.081 0.000 2.526 187 R HA 0.308 4.649 4.340 0.002 0.000 0.346 187 R C -0.790 175.510 176.300 0.000 0.000 0.926 187 R CA -0.107 55.980 56.100 -0.022 0.000 1.147 187 R CB 0.414 30.725 30.300 0.019 0.000 1.629 187 R HN 0.125 8.395 8.270 0.000 0.000 0.516 188 A N 1.806 124.621 122.820 -0.009 0.000 2.540 188 A HA 0.440 4.761 4.320 0.002 0.000 0.340 188 A C -2.168 175.401 177.584 -0.026 0.000 1.424 188 A CA -1.559 50.483 52.037 0.010 0.000 0.940 188 A CB 0.869 19.900 19.000 0.051 0.000 1.149 188 A HN 0.087 8.237 8.150 0.000 0.000 0.505 189 P HA -0.188 4.232 4.420 0.000 0.000 0.222 189 P C 0.895 178.165 177.300 -0.051 0.000 1.142 189 P CA 1.513 64.590 63.100 -0.040 0.000 0.788 189 P CB -0.061 31.623 31.700 -0.028 0.000 0.767 190 N N -1.704 116.969 118.700 -0.044 0.000 2.571 190 N HA -0.071 4.670 4.740 0.002 0.000 0.189 190 N C 0.690 176.139 175.510 -0.102 0.000 1.154 190 N CA 1.346 54.364 53.050 -0.053 0.000 0.907 190 N CB -0.967 37.506 38.487 -0.023 0.000 0.977 190 N HN 0.141 8.521 8.380 0.000 0.000 0.449 191 T N -5.814 108.657 114.554 -0.138 0.000 3.186 191 T HA 0.533 4.884 4.350 0.002 0.000 0.292 191 T C 0.527 175.100 174.700 -0.213 0.000 0.915 191 T CA -0.216 61.741 62.100 -0.240 0.000 0.902 191 T CB -0.328 68.278 68.868 -0.436 0.000 1.192 191 T HN 0.272 8.512 8.240 0.000 0.000 0.563 192 A N 1.449 124.187 122.820 -0.137 0.000 2.292 192 A HA 0.567 4.888 4.320 0.002 0.000 0.265 192 A C 0.268 177.790 177.584 -0.103 0.000 1.133 192 A CA -0.491 51.479 52.037 -0.111 0.000 0.807 192 A CB 0.196 19.149 19.000 -0.078 0.000 1.102 192 A HN 0.522 8.672 8.150 0.000 0.000 0.502 193 E N -0.005 120.146 120.200 -0.083 0.000 2.229 193 E HA 0.384 4.736 4.350 0.002 0.000 0.283 193 E C -1.122 175.441 176.600 -0.061 0.000 1.030 193 E CA -0.663 55.694 56.400 -0.072 0.000 0.836 193 E CB 0.359 30.023 29.700 -0.060 0.000 1.068 193 E HN 0.400 8.760 8.360 0.000 0.000 0.401 194 L N 4.553 125.738 121.223 -0.062 0.000 2.456 194 L HA 0.199 4.540 4.340 0.002 0.000 0.272 194 L C 0.266 177.108 176.870 -0.047 0.000 1.189 194 L CA 0.974 55.780 54.840 -0.056 0.000 0.846 194 L CB 0.225 42.247 42.059 -0.061 0.000 1.111 194 L HN 0.535 8.765 8.230 0.000 0.000 0.475 195 K N 2.904 123.278 120.400 -0.044 0.000 2.557 195 K HA 0.532 4.853 4.320 0.002 0.000 0.257 195 K C -1.713 174.867 176.600 -0.034 0.000 0.933 195 K CA -0.583 55.683 56.287 -0.035 0.000 0.820 195 K CB 1.364 33.846 32.500 -0.029 0.000 1.330 195 K HN 0.431 8.681 8.250 0.000 0.000 0.432 196 I N 3.774 124.327 120.570 -0.029 0.000 2.377 196 I HA 0.239 4.410 4.170 0.002 0.000 0.293 196 I C 0.595 176.706 176.117 -0.010 0.000 0.987 196 I CA -0.717 60.568 61.300 -0.025 0.000 1.185 196 I CB 1.453 39.436 38.000 -0.027 0.000 1.341 196 I HN 0.737 8.947 8.210 0.000 0.000 0.455 197 C N 3.904 123.202 119.300 -0.002 0.000 2.487 197 C HA 0.328 4.789 4.460 0.002 0.000 0.311 197 C C 1.228 176.228 174.990 0.016 0.000 1.367 197 C CA -0.060 58.962 59.018 0.005 0.000 1.865 197 C CB -0.329 27.414 27.740 0.006 0.000 2.277 197 C HN 0.664 8.894 8.230 0.000 0.000 0.521 198 R N -0.466 120.051 120.500 0.028 0.000 2.885 198 R HA 0.728 5.069 4.340 0.002 0.000 0.260 198 R C -1.891 174.444 176.300 0.059 0.000 1.107 198 R CA -0.321 55.802 56.100 0.039 0.000 0.978 198 R CB 1.953 32.280 30.300 0.044 0.000 1.227 198 R HN -0.001 8.269 8.270 0.000 0.000 0.473 199 V N 2.709 122.664 119.914 0.067 0.000 2.857 199 V HA -0.013 4.108 4.120 0.002 0.000 0.267 199 V C 0.191 176.327 176.094 0.070 0.000 1.193 199 V CA -0.929 61.429 62.300 0.097 0.000 0.933 199 V CB 1.510 33.393 31.823 0.101 0.000 1.073 199 V HN 0.927 9.117 8.190 0.000 0.000 0.479 200 N N 3.800 122.544 118.700 0.073 0.000 2.627 200 N HA -0.031 4.710 4.740 0.002 0.000 0.196 200 N C 0.332 175.836 175.510 -0.010 0.000 1.268 200 N CA 0.274 53.330 53.050 0.009 0.000 0.904 200 N CB 0.349 38.808 38.487 -0.045 0.000 1.016 200 N HN 0.779 9.159 8.380 0.000 0.000 0.448 201 R N 0.063 120.578 120.500 0.025 0.000 3.170 201 R HA 0.030 4.371 4.340 0.002 0.000 0.257 201 R C -1.487 174.844 176.300 0.050 0.000 1.139 201 R CA -0.315 55.789 56.100 0.006 0.000 1.158 201 R CB 0.020 30.324 30.300 0.008 0.000 1.269 201 R HN 0.404 8.674 8.270 0.000 0.000 0.459 202 N N 1.503 120.148 118.700 -0.092 0.000 2.416 202 N HA 0.103 4.844 4.740 0.002 0.000 0.267 202 N C -1.033 173.968 175.510 -0.848 0.000 1.294 202 N CA -0.475 52.450 53.050 -0.208 0.000 0.891 202 N CB 1.508 39.932 38.487 -0.105 0.000 1.238 202 N HN 0.236 8.616 8.380 0.000 0.000 0.508 203 S N -0.444 114.714 115.700 -0.904 0.000 2.616 203 S HA 0.598 5.069 4.470 0.002 0.000 0.276 203 S C -0.715 173.584 174.600 -0.503 0.000 1.159 203 S CA -0.461 57.177 58.200 -0.937 0.000 1.000 203 S CB 0.905 63.826 63.200 -0.464 0.000 1.117 203 S HN 0.404 8.714 8.310 0.000 0.000 0.464 204 G N 1.583 110.159 108.800 -0.373 0.000 3.243 204 G HA2 0.690 4.651 3.960 0.002 0.000 0.248 204 G HA3 0.690 4.651 3.960 0.002 0.000 0.248 204 G C -0.717 174.248 174.900 0.108 0.000 1.267 204 G CA -0.452 44.665 45.100 0.028 0.000 0.906 204 G HN 0.935 9.225 8.290 0.000 0.000 0.592 205 S N -1.436 114.377 115.700 0.187 0.000 2.586 205 S HA 0.221 4.692 4.470 0.002 0.000 0.274 205 S C 1.675 176.503 174.600 0.380 0.000 1.281 205 S CA -0.095 58.226 58.200 0.202 0.000 1.035 205 S CB 0.467 63.749 63.200 0.137 0.000 0.962 205 S HN 1.157 9.467 8.310 0.000 0.000 0.512 206 C N 4.358 123.836 119.300 0.298 0.000 2.472 206 C HA 0.248 4.709 4.460 0.002 0.000 0.278 206 C C 1.977 177.024 174.990 0.094 0.000 1.447 206 C CA -0.181 58.968 59.018 0.218 0.000 1.773 206 C CB -1.867 25.912 27.740 0.065 0.000 1.793 206 C HN 0.814 9.044 8.230 0.000 0.000 0.544 207 L N 1.430 122.729 121.223 0.127 0.000 2.492 207 L HA 0.289 4.630 4.340 0.002 0.000 0.223 207 L C 1.798 178.742 176.870 0.125 0.000 1.132 207 L CA 0.860 55.751 54.840 0.084 0.000 0.850 207 L CB -1.110 40.989 42.059 0.066 0.000 0.966 207 L HN 0.716 8.946 8.230 0.000 0.000 0.454 208 G N -0.123 108.813 108.800 0.226 0.000 2.750 208 G HA2 -0.046 3.915 3.960 0.002 0.000 0.228 208 G HA3 -0.046 3.915 3.960 0.002 0.000 0.228 208 G C 0.659 175.644 174.900 0.141 0.000 1.367 208 G CA -0.275 44.969 45.100 0.240 0.000 0.871 208 G HN 0.645 8.935 8.290 0.000 0.000 0.560 209 G N -1.694 107.169 108.800 0.104 0.000 2.175 209 G HA2 -0.156 3.805 3.960 0.002 0.000 0.244 209 G HA3 -0.156 3.805 3.960 0.002 0.000 0.244 209 G C 0.083 175.016 174.900 0.055 0.000 0.982 209 G CA 1.047 46.188 45.100 0.069 0.000 0.641 209 G HN 1.273 9.563 8.290 0.000 0.000 0.527 210 D N 0.964 121.406 120.400 0.069 0.000 2.390 210 D HA 0.342 4.984 4.640 0.002 0.000 0.249 210 D C 0.587 176.876 176.300 -0.018 0.000 1.144 210 D CA 0.120 54.150 54.000 0.050 0.000 0.880 210 D CB 1.277 42.140 40.800 0.105 0.000 1.182 210 D HN 0.548 8.918 8.370 0.000 0.000 0.451 211 E N 2.162 122.355 120.200 -0.011 0.000 2.290 211 E HA 0.196 4.547 4.350 0.002 0.000 0.277 211 E C -0.743 175.833 176.600 -0.040 0.000 1.035 211 E CA -0.369 56.018 56.400 -0.022 0.000 0.873 211 E CB 0.475 30.217 29.700 0.069 0.000 1.029 211 E HN 0.239 8.599 8.360 0.000 0.000 0.419 212 I N 5.284 125.747 120.570 -0.179 0.000 2.478 212 I HA 0.232 4.403 4.170 0.002 0.000 0.287 212 I C -0.942 175.261 176.117 0.144 0.000 1.042 212 I CA -0.685 60.538 61.300 -0.129 0.000 1.067 212 I CB 0.891 38.612 38.000 -0.465 0.000 1.233 212 I HN 0.528 8.738 8.210 0.000 0.000 0.431 213 F N 6.560 126.489 119.950 -0.034 0.000 2.390 213 F HA 0.439 4.967 4.527 0.002 0.000 0.361 213 F C 0.229 176.077 175.800 0.080 0.000 1.124 213 F CA -0.647 57.371 58.000 0.031 0.000 1.149 213 F CB 1.021 40.027 39.000 0.010 0.000 1.160 213 F HN 0.268 8.568 8.300 0.000 0.000 0.501 214 L N 5.741 127.103 121.223 0.232 0.000 2.349 214 L HA 0.610 4.951 4.340 0.002 0.000 0.278 214 L C -1.537 175.378 176.870 0.074 0.000 0.996 214 L CA -0.512 54.425 54.840 0.162 0.000 0.825 214 L CB 1.183 43.352 42.059 0.184 0.000 1.243 214 L HN 0.420 8.650 8.230 0.000 0.000 0.412 215 L N 4.993 126.257 121.223 0.069 0.000 2.343 215 L HA 0.682 5.023 4.340 0.002 0.000 0.275 215 L C -0.138 176.739 176.870 0.012 0.000 1.056 215 L CA -0.635 54.231 54.840 0.043 0.000 0.804 215 L CB 1.554 43.647 42.059 0.057 0.000 1.203 215 L HN 0.870 9.100 8.230 0.000 0.000 0.440 216 C N -1.136 118.161 119.300 -0.005 0.000 3.175 216 C HA 0.591 5.052 4.460 0.002 0.000 0.375 216 C C -0.826 174.150 174.990 -0.023 0.000 2.777 216 C CA -0.909 58.096 59.018 -0.021 0.000 1.221 216 C CB 1.394 29.107 27.740 -0.044 0.000 3.182 216 C HN 0.625 8.855 8.230 0.000 0.000 0.440 217 D N 0.310 120.692 120.400 -0.032 0.000 2.268 217 D HA 0.390 5.031 4.640 0.002 0.000 0.249 217 D C -0.667 175.611 176.300 -0.037 0.000 1.008 217 D CA -0.319 53.661 54.000 -0.032 0.000 0.939 217 D CB 0.799 41.578 40.800 -0.034 0.000 1.170 217 D HN 0.394 8.764 8.370 0.000 0.000 0.468 218 K N 0.508 120.886 120.400 -0.036 0.000 2.473 218 K HA 0.147 4.468 4.320 0.002 0.000 0.277 218 K C -0.068 176.508 176.600 -0.040 0.000 1.052 218 K CA 0.176 56.440 56.287 -0.038 0.000 1.114 218 K CB -0.088 32.391 32.500 -0.035 0.000 0.869 218 K HN 0.243 8.493 8.250 0.000 0.000 0.481 219 V N -0.196 119.695 119.914 -0.037 0.000 3.155 219 V HA 0.387 4.508 4.120 0.002 0.000 0.313 219 V C -0.872 175.209 176.094 -0.022 0.000 1.162 219 V CA -1.231 61.050 62.300 -0.033 0.000 1.048 219 V CB 2.137 33.940 31.823 -0.034 0.000 1.092 219 V HN 0.514 8.704 8.190 0.000 0.000 0.447 220 Q N 1.165 120.957 119.800 -0.014 0.000 2.348 220 Q HA 0.318 4.659 4.340 0.002 0.000 0.265 220 Q C 0.615 176.624 176.000 0.014 0.000 0.998 220 Q CA -0.483 55.317 55.803 -0.006 0.000 0.831 220 Q CB 2.079 30.810 28.738 -0.012 0.000 1.251 220 Q HN 0.996 9.266 8.270 0.000 0.000 0.456 221 K N 1.122 121.536 120.400 0.024 0.000 2.160 221 K HA -0.209 4.112 4.320 0.002 0.000 0.206 221 K C 0.309 176.933 176.600 0.040 0.000 1.047 221 K CA 1.762 58.082 56.287 0.055 0.000 0.930 221 K CB 0.209 32.742 32.500 0.055 0.000 0.720 221 K HN 0.292 8.542 8.250 0.000 0.000 0.450 222 E N 0.833 121.040 120.200 0.011 0.000 2.435 222 E HA -0.027 4.324 4.350 0.002 0.000 0.195 222 E C -0.142 176.449 176.600 -0.015 0.000 1.029 222 E CA 0.769 57.164 56.400 -0.009 0.000 0.865 222 E CB 0.227 29.919 29.700 -0.013 0.000 0.833 222 E HN 0.358 8.718 8.360 0.000 0.000 0.510 223 D N 0.070 120.466 120.400 -0.006 0.000 2.749 223 D HA 0.328 4.969 4.640 0.002 0.000 0.338 223 D C -1.379 174.918 176.300 -0.005 0.000 1.236 223 D CA -0.367 53.623 54.000 -0.016 0.000 0.845 223 D CB 0.022 40.807 40.800 -0.025 0.000 1.080 223 D HN -0.065 8.305 8.370 0.000 0.000 0.497 224 I N 0.949 121.536 120.570 0.027 0.000 2.828 224 I HA 0.407 4.578 4.170 0.002 0.000 0.295 224 I C -1.904 174.319 176.117 0.177 0.000 1.459 224 I CA -0.370 60.969 61.300 0.064 0.000 1.015 224 I CB 1.693 39.732 38.000 0.065 0.000 1.345 224 I HN 0.180 8.390 8.210 0.000 0.000 0.449 225 E N 5.285 125.577 120.200 0.152 0.000 2.388 225 E HA 0.535 4.886 4.350 0.002 0.000 0.280 225 E C -1.796 174.866 176.600 0.103 0.000 1.019 225 E CA -1.038 55.523 56.400 0.269 0.000 0.806 225 E CB 1.677 31.465 29.700 0.146 0.000 1.246 225 E HN 0.215 8.575 8.360 0.000 0.000 0.443 226 V N 2.259 122.217 119.914 0.073 0.000 2.389 226 V HA 0.125 4.246 4.120 0.002 0.000 0.264 226 V C -0.913 175.302 176.094 0.203 0.000 1.049 226 V CA -0.385 61.863 62.300 -0.087 0.000 0.932 226 V CB -0.413 31.090 31.823 -0.533 0.000 1.011 226 V HN 0.609 8.799 8.190 0.000 0.000 0.475 227 Y N 6.187 126.489 120.300 0.004 0.000 2.434 227 Y HA 0.534 5.085 4.550 0.002 0.000 0.341 227 Y C -0.456 175.485 175.900 0.068 0.000 0.965 227 Y CA -1.615 56.514 58.100 0.047 0.000 1.205 227 Y CB 0.685 39.136 38.460 -0.016 0.000 1.121 227 Y HN 0.545 8.825 8.280 0.000 0.000 0.507 228 F N 4.422 124.210 119.950 -0.270 0.000 2.405 228 F HA 0.238 4.766 4.527 0.002 0.000 0.358 228 F C 0.813 176.304 175.800 -0.516 0.000 1.151 228 F CA -0.155 57.683 58.000 -0.269 0.000 1.161 228 F CB 0.649 39.547 39.000 -0.170 0.000 1.245 228 F HN 0.336 8.636 8.300 0.000 0.000 0.545 229 T N 2.082 116.492 114.554 -0.239 0.000 2.929 229 T HA 0.828 5.179 4.350 0.002 0.000 0.284 229 T C 0.118 174.911 174.700 0.156 0.000 1.014 229 T CA -0.311 61.635 62.100 -0.256 0.000 1.051 229 T CB 1.052 69.753 68.868 -0.279 0.000 1.028 229 T HN 0.762 9.002 8.240 0.000 0.000 0.485 230 G N 2.543 111.500 108.800 0.262 0.000 2.727 230 G HA2 0.668 4.629 3.960 0.002 0.000 0.289 230 G HA3 0.668 4.629 3.960 0.002 0.000 0.289 230 G C -2.982 172.096 174.900 0.297 0.000 1.418 230 G CA -1.166 44.204 45.100 0.450 0.000 0.818 230 G HN 0.591 8.881 8.290 0.000 0.000 0.486 231 P HA 0.248 4.668 4.420 0.000 0.000 0.271 231 P C 0.877 178.284 177.300 0.179 0.000 1.380 231 P CA 1.097 64.303 63.100 0.177 0.000 0.992 231 P CB 0.514 32.300 31.700 0.143 0.000 1.230 232 G N 2.139 111.030 108.800 0.152 0.000 2.179 232 G HA2 -0.256 3.705 3.960 0.002 0.000 0.260 232 G HA3 -0.256 3.705 3.960 0.002 0.000 0.260 232 G C -0.340 174.674 174.900 0.190 0.000 0.977 232 G CA -0.081 45.097 45.100 0.131 0.000 0.641 232 G HN 0.535 8.825 8.290 0.000 0.000 0.533 233 W N 0.793 122.102 121.300 0.015 0.000 2.576 233 W HA 0.752 5.413 4.660 0.002 0.000 0.360 233 W C -0.161 176.353 176.519 -0.009 0.000 1.109 233 W CA -0.760 56.584 57.345 -0.001 0.000 1.237 233 W CB 1.282 30.768 29.460 0.043 0.000 1.369 233 W HN 0.241 8.421 8.180 0.000 0.000 0.609 234 E N 2.662 122.281 120.200 -0.969 0.000 2.879 234 E HA 0.482 4.833 4.350 0.002 0.000 0.345 234 E C -1.870 174.122 176.600 -1.013 0.000 0.955 234 E CA -0.323 55.537 56.400 -0.900 0.000 0.801 234 E CB 0.422 29.876 29.700 -0.411 0.000 1.324 234 E HN 0.623 8.983 8.360 0.000 0.000 0.417 235 A N 3.976 126.172 122.820 -1.041 0.000 2.530 235 A HA 0.927 5.248 4.320 0.002 0.000 0.288 235 A C -1.077 176.349 177.584 -0.262 0.000 1.172 235 A CA -0.766 50.899 52.037 -0.620 0.000 0.733 235 A CB 1.730 20.317 19.000 -0.688 0.000 1.320 235 A HN 0.560 8.710 8.150 0.000 0.000 0.419 236 R N -0.962 119.458 120.500 -0.133 0.000 2.795 236 R HA 0.577 4.918 4.340 0.002 0.000 0.275 236 R C 0.036 176.365 176.300 0.048 0.000 0.981 236 R CA -0.429 55.709 56.100 0.064 0.000 0.917 236 R CB 2.296 32.649 30.300 0.089 0.000 1.202 236 R HN 0.977 9.247 8.270 0.000 0.000 0.469 237 G N 0.121 109.092 108.800 0.285 0.000 2.448 237 G HA2 0.281 4.242 3.960 0.002 0.000 0.285 237 G HA3 0.281 4.242 3.960 0.002 0.000 0.285 237 G C -0.672 174.508 174.900 0.467 0.000 1.176 237 G CA -0.359 45.027 45.100 0.477 0.000 0.852 237 G HN 0.391 8.681 8.290 0.000 0.000 0.530 238 S N 0.371 116.315 115.700 0.407 0.000 2.422 238 S HA 0.625 5.096 4.470 0.002 0.000 0.298 238 S C -0.847 174.015 174.600 0.436 0.000 1.118 238 S CA -0.343 58.031 58.200 0.289 0.000 1.083 238 S CB 0.022 63.313 63.200 0.151 0.000 0.971 238 S HN 0.651 8.961 8.310 0.000 0.000 0.478 239 F N -0.440 119.595 119.950 0.142 0.000 2.672 239 F HA 0.661 5.189 4.527 0.002 0.000 0.311 239 F C -0.604 175.237 175.800 0.069 0.000 1.113 239 F CA -1.029 57.049 58.000 0.129 0.000 0.996 239 F CB 0.402 39.523 39.000 0.200 0.000 1.286 239 F HN 0.265 8.565 8.300 0.000 0.000 0.441 240 S N 2.205 117.953 115.700 0.080 0.000 2.610 240 S HA 0.194 4.665 4.470 0.002 0.000 0.273 240 S C 0.806 175.434 174.600 0.046 0.000 1.274 240 S CA -0.671 57.515 58.200 -0.023 0.000 1.023 240 S CB 1.535 64.752 63.200 0.028 0.000 0.962 240 S HN 0.860 9.170 8.310 0.000 0.000 0.523 241 Q N 0.679 120.466 119.800 -0.021 0.000 2.376 241 Q HA -0.156 4.185 4.340 0.002 0.000 0.211 241 Q C 1.554 177.607 176.000 0.089 0.000 0.986 241 Q CA 1.146 56.971 55.803 0.037 0.000 0.886 241 Q CB -0.250 28.487 28.738 -0.003 0.000 0.927 241 Q HN 0.802 9.072 8.270 0.000 0.000 0.457 242 A N 0.009 122.878 122.820 0.082 0.000 2.307 242 A HA -0.009 4.312 4.320 0.002 0.000 0.218 242 A C 0.717 178.364 177.584 0.104 0.000 1.228 242 A CA 0.173 52.258 52.037 0.080 0.000 0.857 242 A CB 0.353 19.386 19.000 0.055 0.000 0.897 242 A HN 0.148 8.298 8.150 0.000 0.000 0.495 243 D N -0.470 120.027 120.400 0.161 0.000 2.349 243 D HA 0.101 4.743 4.640 0.002 0.000 0.214 243 D C -0.040 176.333 176.300 0.122 0.000 1.063 243 D CA 0.359 54.445 54.000 0.143 0.000 0.847 243 D CB 0.669 41.599 40.800 0.216 0.000 0.933 243 D HN 0.114 8.484 8.370 0.000 0.000 0.513 244 V N 2.509 122.516 119.914 0.156 0.000 2.276 244 V HA -0.039 4.082 4.120 0.002 0.000 0.249 244 V C 0.084 176.232 176.094 0.090 0.000 1.160 244 V CA -0.381 61.981 62.300 0.103 0.000 1.042 244 V CB -0.550 31.351 31.823 0.129 0.000 1.224 244 V HN 0.116 8.306 8.190 0.000 0.000 0.496 245 H N 5.604 124.655 119.070 -0.032 0.000 3.215 245 H HA 0.213 4.770 4.556 0.002 0.000 0.253 245 H C 1.058 176.373 175.328 -0.022 0.000 1.102 245 H CA -0.062 55.966 56.048 -0.034 0.000 1.482 245 H CB -0.224 29.501 29.762 -0.062 0.000 1.542 245 H HN 0.520 8.800 8.280 0.000 0.000 0.498 246 R N 3.179 123.462 120.500 -0.362 0.000 3.387 246 R HA -0.321 4.020 4.340 0.002 0.000 0.254 246 R C 0.177 176.369 176.300 -0.181 0.000 1.006 246 R CA 1.267 57.169 56.100 -0.329 0.000 0.677 246 R CB -1.702 28.267 30.300 -0.552 0.000 1.063 246 R HN 1.064 9.334 8.270 0.000 0.000 0.453 247 Q N -3.608 116.133 119.800 -0.098 0.000 2.439 247 Q HA -0.288 4.053 4.340 0.002 0.000 0.247 247 Q C 0.527 176.493 176.000 -0.056 0.000 0.899 247 Q CA 1.234 57.001 55.803 -0.059 0.000 1.201 247 Q CB -2.122 26.584 28.738 -0.052 0.000 1.608 247 Q HN 0.590 8.860 8.270 0.000 0.000 0.563 248 V N -5.588 114.290 119.914 -0.060 0.000 3.372 248 V HA 0.812 4.933 4.120 0.002 0.000 0.304 248 V C 0.063 176.155 176.094 -0.002 0.000 1.530 248 V CA 0.181 62.460 62.300 -0.034 0.000 1.080 248 V CB 1.137 32.939 31.823 -0.035 0.000 0.929 248 V HN 0.574 8.764 8.190 0.000 0.000 0.455 249 A N 1.237 124.061 122.820 0.006 0.000 2.512 249 A HA 0.822 5.143 4.320 0.002 0.000 0.294 249 A C -1.222 176.347 177.584 -0.025 0.000 1.054 249 A CA -0.366 51.682 52.037 0.019 0.000 0.756 249 A CB 1.399 20.450 19.000 0.086 0.000 1.293 249 A HN 0.303 8.453 8.150 0.000 0.000 0.395 250 I N 2.462 122.984 120.570 -0.081 0.000 2.433 250 I HA 0.533 4.704 4.170 0.002 0.000 0.292 250 I C -0.711 175.367 176.117 -0.064 0.000 1.001 250 I CA -0.966 60.235 61.300 -0.164 0.000 1.119 250 I CB 1.763 39.506 38.000 -0.429 0.000 1.289 250 I HN 0.303 8.513 8.210 0.000 0.000 0.438 251 V N 7.158 127.026 119.914 -0.076 0.000 2.448 251 V HA 0.577 4.698 4.120 0.002 0.000 0.295 251 V C -0.567 175.628 176.094 0.169 0.000 1.025 251 V CA -0.411 61.853 62.300 -0.061 0.000 0.859 251 V CB 1.515 33.115 31.823 -0.373 0.000 0.988 251 V HN 0.654 8.844 8.190 0.000 0.000 0.431 252 F N 2.951 122.885 119.950 -0.028 0.000 2.711 252 F HA 0.774 5.302 4.527 0.002 0.000 0.313 252 F C -0.895 174.987 175.800 0.137 0.000 1.141 252 F CA -1.675 56.384 58.000 0.099 0.000 0.941 252 F CB 1.538 40.556 39.000 0.030 0.000 1.349 252 F HN 0.272 8.572 8.300 0.000 0.000 0.464 253 R N 1.100 121.619 120.500 0.033 0.000 2.393 253 R HA 0.507 4.849 4.340 0.002 0.000 0.310 253 R C -0.612 175.708 176.300 0.033 0.000 0.968 253 R CA -0.670 55.397 56.100 -0.055 0.000 0.867 253 R CB 1.774 32.102 30.300 0.046 0.000 1.124 253 R HN 0.905 9.175 8.270 0.000 0.000 0.450 254 T N 1.213 115.744 114.554 -0.038 0.000 2.946 254 T HA 0.124 4.475 4.350 0.002 0.000 0.311 254 T C -1.850 172.814 174.700 -0.059 0.000 1.063 254 T CA -1.087 60.990 62.100 -0.038 0.000 1.139 254 T CB 0.466 69.342 68.868 0.014 0.000 0.994 254 T HN 0.360 8.600 8.240 0.000 0.000 0.547 255 P HA 0.404 4.824 4.420 0.000 0.000 0.282 255 P C -2.906 174.469 177.300 0.124 0.000 1.259 255 P CA -2.347 60.701 63.100 -0.087 0.000 0.826 255 P CB 0.107 31.662 31.700 -0.243 0.000 1.064 256 P HA 0.139 4.559 4.420 0.000 0.000 0.276 256 P C -0.284 177.066 177.300 0.083 0.000 1.230 256 P CA 0.073 63.236 63.100 0.104 0.000 0.776 256 P CB 0.028 31.761 31.700 0.055 0.000 0.888 257 Y N 3.484 123.455 120.300 -0.549 0.000 2.335 257 Y HA 0.202 4.753 4.550 0.002 0.000 0.348 257 Y C 1.705 177.215 175.900 -0.650 0.000 1.280 257 Y CA -0.063 57.375 58.100 -1.104 0.000 1.504 257 Y CB 0.228 37.668 38.460 -1.699 0.000 1.366 257 Y HN 0.540 8.820 8.280 0.000 0.000 0.621 258 A N 1.699 123.408 122.820 -1.852 0.000 1.865 258 A HA -0.168 4.153 4.320 0.002 0.000 0.217 258 A C 0.756 177.884 177.584 -0.760 0.000 1.191 258 A CA 1.852 53.201 52.037 -1.148 0.000 0.623 258 A CB -0.742 17.432 19.000 -1.377 0.000 0.826 258 A HN 0.710 8.860 8.150 0.000 0.000 0.444 259 D N -0.462 119.394 120.400 -0.906 0.000 2.411 259 D HA 0.249 4.890 4.640 0.002 0.000 0.225 259 D C -1.786 174.417 176.300 -0.162 0.000 1.156 259 D CA -2.261 51.529 54.000 -0.350 0.000 0.874 259 D CB 1.080 41.761 40.800 -0.198 0.000 1.034 259 D HN 0.152 8.523 8.370 0.000 0.000 0.502 260 P HA 0.002 4.422 4.420 0.000 0.000 0.237 260 P C 0.344 177.626 177.300 -0.030 0.000 1.178 260 P CA 0.256 63.316 63.100 -0.067 0.000 0.766 260 P CB 0.522 32.186 31.700 -0.061 0.000 0.876 261 S N -0.933 114.749 115.700 -0.030 0.000 2.603 261 S HA 0.140 4.611 4.470 0.002 0.000 0.232 261 S C 0.551 175.150 174.600 -0.002 0.000 1.016 261 S CA -0.479 57.713 58.200 -0.013 0.000 0.976 261 S CB -0.427 62.762 63.200 -0.018 0.000 0.921 261 S HN 0.003 8.313 8.310 0.000 0.000 0.516 262 L N 2.263 123.490 121.223 0.007 0.000 3.155 262 L HA -0.189 4.152 4.340 0.002 0.000 0.368 262 L C 1.253 178.131 176.870 0.013 0.000 1.206 262 L CA 1.102 55.955 54.840 0.022 0.000 0.807 262 L CB 0.424 42.509 42.059 0.043 0.000 1.097 262 L HN 0.168 8.398 8.230 0.000 0.000 0.623 263 Q N 2.473 122.279 119.800 0.010 0.000 2.442 263 Q HA 0.467 4.808 4.340 0.002 0.000 0.228 263 Q C -0.295 175.707 176.000 0.003 0.000 0.902 263 Q CA 0.973 56.779 55.803 0.005 0.000 0.933 263 Q CB 0.659 29.398 28.738 0.002 0.000 1.071 263 Q HN 0.771 9.041 8.270 0.000 0.000 0.562 264 A N 0.844 123.666 122.820 0.004 0.000 2.350 264 A HA 0.714 5.035 4.320 0.002 0.000 0.324 264 A C -2.571 175.009 177.584 -0.006 0.000 1.118 264 A CA -1.682 50.354 52.037 -0.001 0.000 0.783 264 A CB 0.676 19.675 19.000 -0.000 0.000 1.236 264 A HN 0.013 8.163 8.150 0.000 0.000 0.457 265 P HA 0.177 4.597 4.420 0.000 0.000 0.265 265 P C -0.711 176.567 177.300 -0.036 0.000 1.187 265 P CA 0.222 63.306 63.100 -0.027 0.000 0.766 265 P CB 0.701 32.379 31.700 -0.037 0.000 0.820 266 V N 4.741 124.618 119.914 -0.062 0.000 2.483 266 V HA 0.355 4.476 4.120 0.002 0.000 0.297 266 V C -0.396 175.660 176.094 -0.062 0.000 1.027 266 V CA -0.944 61.306 62.300 -0.082 0.000 0.855 266 V CB 1.230 32.943 31.823 -0.183 0.000 0.995 266 V HN 0.361 8.551 8.190 0.000 0.000 0.424 267 R N 4.573 125.063 120.500 -0.016 0.000 2.537 267 R HA 0.503 4.844 4.340 0.002 0.000 0.280 267 R C -0.638 175.710 176.300 0.080 0.000 1.058 267 R CA 0.003 56.116 56.100 0.022 0.000 1.057 267 R CB 1.165 31.479 30.300 0.023 0.000 0.973 267 R HN 0.553 8.823 8.270 0.000 0.000 0.438 268 V N 0.635 120.645 119.914 0.159 0.000 3.040 268 V HA 0.262 4.383 4.120 0.002 0.000 0.312 268 V C -0.006 176.213 176.094 0.208 0.000 1.115 268 V CA -0.835 61.622 62.300 0.262 0.000 0.998 268 V CB 2.433 34.542 31.823 0.476 0.000 1.042 268 V HN 0.767 8.957 8.190 0.000 0.000 0.433 269 S N 3.476 119.288 115.700 0.186 0.000 2.475 269 S HA 0.669 5.140 4.470 0.002 0.000 0.281 269 S C -0.554 174.033 174.600 -0.022 0.000 1.198 269 S CA -0.435 57.813 58.200 0.080 0.000 1.063 269 S CB 0.151 63.396 63.200 0.075 0.000 0.972 269 S HN 0.687 8.997 8.310 0.000 0.000 0.486 270 M N 5.672 125.195 119.600 -0.128 0.000 2.393 270 M HA 0.539 5.020 4.480 0.002 0.000 0.316 270 M C -1.463 174.723 176.300 -0.190 0.000 1.087 270 M CA -0.300 54.782 55.300 -0.363 0.000 0.937 270 M CB 1.366 33.604 32.600 -0.605 0.000 1.668 270 M HN 0.833 9.123 8.290 0.000 0.000 0.438 271 Q N 2.822 122.536 119.800 -0.144 0.000 2.633 271 Q HA 0.462 4.803 4.340 0.002 0.000 0.289 271 Q C -1.933 174.047 176.000 -0.033 0.000 0.940 271 Q CA -1.233 54.538 55.803 -0.053 0.000 0.785 271 Q CB 1.315 30.069 28.738 0.026 0.000 1.467 271 Q HN 0.561 8.831 8.270 0.000 0.000 0.401 272 L N 1.678 122.866 121.223 -0.058 0.000 2.367 272 L HA 0.449 4.790 4.340 0.002 0.000 0.275 272 L C -0.128 176.706 176.870 -0.059 0.000 1.129 272 L CA 0.670 55.466 54.840 -0.073 0.000 0.839 272 L CB 0.586 42.595 42.059 -0.084 0.000 1.133 272 L HN 0.670 8.900 8.230 0.000 0.000 0.453 273 R N 3.266 123.728 120.500 -0.064 0.000 2.476 273 R HA 0.413 4.754 4.340 0.002 0.000 0.305 273 R C -0.531 175.711 176.300 -0.096 0.000 0.965 273 R CA -0.725 55.303 56.100 -0.120 0.000 0.867 273 R CB 0.912 31.074 30.300 -0.230 0.000 1.176 273 R HN 0.604 8.874 8.270 0.000 0.000 0.447 274 R N 6.554 126.992 120.500 -0.102 0.000 2.287 274 R HA 0.256 4.597 4.340 0.002 0.000 0.327 274 R C -1.954 174.291 176.300 -0.092 0.000 1.109 274 R CA -1.852 54.199 56.100 -0.081 0.000 1.013 274 R CB 0.824 31.078 30.300 -0.076 0.000 1.126 274 R HN 0.455 8.725 8.270 0.000 0.000 0.503 275 P HA -0.341 4.079 4.420 0.000 0.000 0.222 275 P C 1.173 178.429 177.300 -0.073 0.000 1.159 275 P CA 2.310 65.359 63.100 -0.085 0.000 0.920 275 P CB 0.150 31.811 31.700 -0.065 0.000 0.793 276 S N -0.830 114.834 115.700 -0.061 0.000 2.402 276 S HA -0.215 4.256 4.470 0.002 0.000 0.233 276 S C 1.357 175.923 174.600 -0.056 0.000 1.030 276 S CA 1.878 60.047 58.200 -0.052 0.000 1.003 276 S CB -1.129 62.044 63.200 -0.045 0.000 0.813 276 S HN 0.325 8.635 8.310 0.000 0.000 0.477 277 D N -0.613 119.745 120.400 -0.070 0.000 2.539 277 D HA 0.201 4.842 4.640 0.002 0.000 0.232 277 D C 0.656 176.907 176.300 -0.081 0.000 1.256 277 D CA -0.310 53.648 54.000 -0.070 0.000 0.810 277 D CB -0.419 40.336 40.800 -0.075 0.000 1.090 277 D HN 0.413 8.783 8.370 0.000 0.000 0.519 278 R N -0.683 119.756 120.500 -0.102 0.000 3.922 278 R HA -0.218 4.123 4.340 0.002 0.000 0.447 278 R C -0.051 176.170 176.300 -0.133 0.000 1.035 278 R CA 1.229 57.251 56.100 -0.130 0.000 1.289 278 R CB -2.016 28.224 30.300 -0.102 0.000 1.906 278 R HN 0.340 8.610 8.270 0.000 0.000 0.540 279 E N 1.822 121.955 120.200 -0.112 0.000 2.442 279 E HA 0.226 4.577 4.350 0.002 0.000 0.262 279 E C -0.614 175.920 176.600 -0.109 0.000 1.004 279 E CA 0.575 56.916 56.400 -0.099 0.000 0.928 279 E CB 0.493 30.136 29.700 -0.096 0.000 0.937 279 E HN 0.292 8.652 8.360 0.000 0.000 0.446 280 L N 3.380 124.553 121.223 -0.083 0.000 2.408 280 L HA 0.366 4.707 4.340 0.002 0.000 0.268 280 L C 0.031 176.877 176.870 -0.041 0.000 0.986 280 L CA -1.067 53.734 54.840 -0.066 0.000 0.820 280 L CB 2.020 44.054 42.059 -0.041 0.000 1.303 280 L HN 0.742 8.972 8.230 0.000 0.000 0.411 281 S N 1.162 116.840 115.700 -0.038 0.000 2.634 281 S HA 0.212 4.683 4.470 0.002 0.000 0.261 281 S C 0.013 174.604 174.600 -0.016 0.000 1.271 281 S CA -0.554 57.627 58.200 -0.033 0.000 0.985 281 S CB 1.198 64.374 63.200 -0.040 0.000 0.968 281 S HN 0.691 9.001 8.310 0.000 0.000 0.568 282 E N 1.687 121.878 120.200 -0.015 0.000 2.415 282 E HA 0.154 4.505 4.350 0.002 0.000 0.262 282 E C -2.053 174.545 176.600 -0.004 0.000 1.038 282 E CA -1.598 54.799 56.400 -0.005 0.000 0.921 282 E CB 0.344 30.040 29.700 -0.007 0.000 0.950 282 E HN 0.503 8.863 8.360 0.000 0.000 0.438 283 P HA 0.094 4.514 4.420 0.000 0.000 0.278 283 P C -0.788 176.510 177.300 -0.002 0.000 1.238 283 P CA 0.013 63.116 63.100 0.004 0.000 0.794 283 P CB 0.823 32.536 31.700 0.022 0.000 0.955 284 M N 1.801 121.393 119.600 -0.014 0.000 2.190 284 M HA 0.212 4.693 4.480 0.002 0.000 0.312 284 M C -0.297 176.014 176.300 0.017 0.000 0.990 284 M CA -0.740 54.558 55.300 -0.002 0.000 0.927 284 M CB 1.837 34.433 32.600 -0.007 0.000 1.571 284 M HN 0.306 8.596 8.290 0.000 0.000 0.427 285 E N 2.395 122.611 120.200 0.027 0.000 2.480 285 E HA 0.092 4.443 4.350 0.002 0.000 0.258 285 E C -1.375 175.271 176.600 0.077 0.000 0.984 285 E CA 0.903 57.328 56.400 0.043 0.000 0.930 285 E CB 0.261 29.969 29.700 0.013 0.000 0.936 285 E HN 0.327 8.687 8.360 0.000 0.000 0.466 286 F N 2.171 122.075 119.950 -0.078 0.000 2.561 286 F HA 0.239 4.767 4.527 0.002 0.000 0.313 286 F C -0.937 174.796 175.800 -0.112 0.000 1.126 286 F CA -0.687 57.245 58.000 -0.113 0.000 0.918 286 F CB 1.662 40.558 39.000 -0.173 0.000 1.199 286 F HN 0.277 8.577 8.300 0.000 0.000 0.444 287 Q N 5.490 124.949 119.800 -0.568 0.000 2.431 287 Q HA 0.294 4.635 4.340 0.002 0.000 0.249 287 Q C -1.628 174.168 176.000 -0.340 0.000 1.025 287 Q CA -0.715 54.891 55.803 -0.328 0.000 0.835 287 Q CB 0.710 29.290 28.738 -0.263 0.000 1.207 287 Q HN 0.699 8.969 8.270 0.000 0.000 0.490 288 Y N 3.131 123.394 120.300 -0.063 0.000 2.425 288 Y HA 0.218 4.769 4.550 0.002 0.000 0.331 288 Y C -0.095 175.745 175.900 -0.100 0.000 1.157 288 Y CA 0.387 58.473 58.100 -0.023 0.000 1.372 288 Y CB 0.548 38.881 38.460 -0.211 0.000 1.253 288 Y HN 0.508 8.788 8.280 0.000 0.000 0.536 289 L N 5.767 127.075 121.223 0.142 0.000 2.323 289 L HA 0.583 4.924 4.340 0.002 0.000 0.265 289 L C -2.361 174.548 176.870 0.066 0.000 1.012 289 L CA -2.529 52.343 54.840 0.054 0.000 0.820 289 L CB 2.026 44.088 42.059 0.004 0.000 1.334 289 L HN 0.401 8.631 8.230 0.000 0.000 0.427 290 P HA 0.052 4.472 4.420 0.000 0.000 0.269 290 P C -0.870 176.450 177.300 0.033 0.000 1.215 290 P CA -0.232 62.886 63.100 0.030 0.000 0.780 290 P CB 0.698 32.407 31.700 0.014 0.000 0.898 291 D N 0.000 120.420 120.400 0.034 0.000 6.856 291 D HA 0.000 4.641 4.640 0.002 0.000 0.175 291 D CA 0.000 54.020 54.000 0.032 0.000 0.868 291 D CB 0.000 40.816 40.800 0.026 0.000 0.688 291 D HN 0.000 8.370 8.370 0.000 0.000 0.683