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 2xjp_1_A DATA FIRST_RESID 14 DATA SEQUENCE GLVPRGSHMS GATEACLPAG QRKSGMNINF YQYSLKDSST YSNAAYMAYG DATA SEQUENCE YASKTKLGSV GGQTDISIDY NIPcVSSSGT FPCPQEDSYG NWGCKGMGAc DATA SEQUENCE SNSQGIAYWS TDLFGFYTTP TNVTLEMTGY FLPPQTGSYT FSFATVDDSA DATA SEQUENCE ILSVGGSIAF ECCAQEQPPI TSTNFTINGI KPWDGSLPDN ITGTVYMYAG DATA SEQUENCE YYYPLKVVYS NAVSWGTLPI SVELPDGTTV SDNFEGYVYS FDDDLSQSNC DATA SEQUENCE TIPDPSIH 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 14 G HA2 0.000 nan 3.960 nan 0.000 0.244 14 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 14 G C 0.000 174.903 174.900 0.005 0.000 0.946 14 G CA 0.000 45.102 45.100 0.004 0.000 0.502 15 L N 0.220 121.445 121.223 0.003 0.000 2.217 15 L HA 0.219 4.562 4.340 0.004 0.000 0.211 15 L C 0.094 176.965 176.870 0.002 0.000 1.107 15 L CA 1.552 56.394 54.840 0.002 0.000 0.783 15 L CB 0.170 42.229 42.059 0.000 0.000 0.919 15 L HN 0.303 8.534 8.230 0.001 0.000 0.442 16 V N -4.439 115.476 119.914 0.000 0.000 2.960 16 V HA 0.451 4.571 4.120 0.000 0.000 0.315 16 V C -2.457 173.638 176.094 0.002 0.000 1.087 16 V CA -3.456 58.843 62.300 -0.001 0.000 0.982 16 V CB 0.082 31.900 31.823 -0.009 0.000 1.039 16 V HN -0.597 7.573 8.190 -0.000 0.020 0.437 17 P HA 0.115 4.542 4.420 0.011 0.000 0.272 17 P C -0.834 176.464 177.300 -0.004 0.000 1.230 17 P CA -0.411 62.692 63.100 0.006 0.000 0.788 17 P CB 0.852 32.560 31.700 0.013 0.000 0.949 18 R N -0.573 119.925 120.500 -0.003 0.000 2.200 18 R HA 0.040 4.375 4.340 -0.008 0.000 0.208 18 R C 0.468 176.759 176.300 -0.014 0.000 1.033 18 R CA -0.122 55.973 56.100 -0.008 0.000 1.000 18 R CB 0.059 30.355 30.300 -0.005 0.000 0.906 18 R HN 0.263 8.534 8.270 0.001 0.000 0.462 19 G N -3.174 105.616 108.800 -0.017 0.000 2.690 19 G HA2 -0.210 3.733 3.960 -0.029 0.000 0.686 19 G HA3 -0.210 3.727 3.960 -0.038 0.000 0.686 19 G C -1.126 173.763 174.900 -0.018 0.000 1.277 19 G CA -1.002 44.083 45.100 -0.026 0.000 0.799 19 G HN -0.403 7.879 8.290 -0.013 0.000 0.613 20 S N 0.668 116.360 115.700 -0.014 0.000 2.560 20 S HA -0.187 4.269 4.470 -0.022 0.000 0.284 20 S C 0.651 175.243 174.600 -0.013 0.000 1.327 20 S CA 0.650 58.843 58.200 -0.012 0.000 1.055 20 S CB 0.661 63.867 63.200 0.009 0.000 0.868 20 S HN 0.021 8.322 8.310 -0.016 0.000 0.506 21 H N 1.231 120.291 119.070 -0.016 0.000 2.815 21 H HA -0.130 4.419 4.556 -0.012 0.000 0.350 21 H C 0.659 175.981 175.328 -0.009 0.000 1.080 21 H CA 0.598 56.639 56.048 -0.013 0.000 1.433 21 H CB 0.132 29.886 29.762 -0.014 0.000 1.432 21 H HN 0.232 8.499 8.280 -0.021 0.000 0.592 22 M N 1.417 121.011 119.600 -0.009 0.000 2.302 22 M HA -0.380 4.095 4.480 -0.008 0.000 0.200 22 M C -0.169 176.127 176.300 -0.007 0.000 0.366 22 M CA 0.500 55.795 55.300 -0.008 0.000 0.440 22 M CB -2.710 29.886 32.600 -0.007 0.000 1.475 22 M HN 0.290 8.574 8.290 -0.009 0.000 0.905 23 S N -3.119 112.576 115.700 -0.008 0.000 3.581 23 S HA -0.320 4.144 4.470 -0.010 0.000 0.354 23 S C 0.364 174.964 174.600 0.000 0.000 1.059 23 S CA 0.702 58.898 58.200 -0.007 0.000 1.060 23 S CB -1.216 61.978 63.200 -0.011 0.000 0.908 23 S HN 0.403 8.701 8.310 -0.009 0.007 0.475 24 G N -0.944 107.859 108.800 0.006 0.000 2.920 24 G HA2 0.043 4.011 3.960 0.013 0.000 0.208 24 G HA3 0.043 4.012 3.960 0.014 0.000 0.208 24 G C -0.893 174.033 174.900 0.044 0.000 1.159 24 G CA -0.298 44.812 45.100 0.017 0.000 0.784 24 G HN -0.328 7.964 8.290 0.003 0.000 0.535 25 A N -0.672 122.182 122.820 0.056 0.000 2.462 25 A HA -0.138 4.281 4.320 0.166 0.000 0.243 25 A C -0.086 177.567 177.584 0.116 0.000 1.076 25 A CA 0.157 52.266 52.037 0.120 0.000 0.773 25 A CB 0.461 19.530 19.000 0.114 0.000 1.010 25 A HN -0.508 7.625 8.150 0.036 0.039 0.493 26 T N 3.929 118.597 114.554 0.192 0.000 2.870 26 T HA -0.103 4.316 4.350 0.114 0.000 0.300 26 T C -0.362 174.431 174.700 0.154 0.000 0.989 26 T CA 1.332 63.544 62.100 0.187 0.000 1.139 26 T CB 0.518 69.547 68.868 0.268 0.000 0.920 26 T HN 0.260 8.650 8.240 0.251 0.000 0.537 27 E N 7.066 127.291 120.200 0.042 0.000 2.384 27 E HA -0.257 4.318 4.350 -0.086 -0.277 0.266 27 E C -1.186 175.321 176.600 -0.153 0.000 1.012 27 E CA 0.978 57.343 56.400 -0.059 0.000 0.901 27 E CB 1.067 30.731 29.700 -0.060 0.000 0.967 27 E HN 0.462 8.841 8.360 0.033 0.000 0.435 28 A N 5.153 127.791 122.820 -0.304 0.000 2.486 28 A HA 0.579 4.638 4.320 -0.435 0.000 0.277 28 A C -2.254 175.209 177.584 -0.202 0.000 1.282 28 A CA -1.706 50.050 52.037 -0.469 0.000 0.784 28 A CB 3.781 22.148 19.000 -1.054 0.000 1.350 28 A HN 0.223 8.207 8.150 -0.277 0.000 0.454 29 C N -6.778 112.472 119.300 -0.083 0.000 3.320 29 C HA 1.055 5.541 4.460 -0.060 -0.062 0.335 29 C C -1.867 173.134 174.990 0.018 0.000 1.430 29 C CA -3.010 55.994 59.018 -0.023 0.000 1.271 29 C CB 3.831 31.575 27.740 0.007 0.000 1.609 29 C HN 0.146 8.333 8.230 -0.072 0.000 0.457 30 L N -0.352 120.821 121.223 -0.084 0.000 2.488 30 L HA 0.524 4.842 4.340 -0.036 0.000 0.250 30 L C -2.247 174.431 176.870 -0.319 0.000 1.280 30 L CA -2.285 52.483 54.840 -0.120 0.000 0.929 30 L CB 1.245 43.262 42.059 -0.070 0.000 1.200 30 L HN 0.065 8.228 8.230 -0.111 0.000 0.495 31 P HA -0.087 4.123 4.420 -0.569 -0.131 0.268 31 P C -0.846 176.047 177.300 -0.679 0.000 1.204 31 P CA 0.033 62.611 63.100 -0.870 0.000 0.768 31 P CB 0.510 31.107 31.700 -1.837 0.000 0.842 32 A N 3.931 126.526 122.820 -0.375 0.000 2.267 32 A HA 0.122 4.335 4.320 -0.177 0.000 0.213 32 A C 0.602 178.125 177.584 -0.101 0.000 1.192 32 A CA 0.257 52.180 52.037 -0.190 0.000 0.851 32 A CB 0.637 19.567 19.000 -0.116 0.000 0.881 32 A HN 0.359 8.634 8.150 -0.322 -0.318 0.494 33 G N -1.056 107.694 108.800 -0.083 0.000 2.508 33 G HA2 0.048 4.058 3.960 0.083 0.000 0.278 33 G HA3 0.048 4.026 3.960 0.031 0.000 0.278 33 G C -1.291 173.724 174.900 0.193 0.000 1.389 33 G CA -0.938 44.200 45.100 0.064 0.000 1.050 33 G HN -0.375 7.801 8.290 -0.191 0.000 0.522 34 Q N 0.399 120.279 119.800 0.135 0.000 2.281 34 Q HA -0.158 4.206 4.340 0.041 0.000 0.267 34 Q C -0.461 175.504 176.000 -0.058 0.000 1.053 34 Q CA 0.108 55.943 55.803 0.054 0.000 0.905 34 Q CB 0.447 29.195 28.738 0.016 0.000 1.195 34 Q HN 0.120 8.453 8.270 0.104 0.000 0.398 35 R N 5.741 126.110 120.500 -0.217 0.000 2.490 35 R HA 0.073 3.654 4.340 -1.461 -0.117 0.280 35 R C -0.089 176.011 176.300 -0.333 0.000 1.077 35 R CA -0.027 55.653 56.100 -0.699 0.000 1.065 35 R CB 0.875 30.826 30.300 -0.581 0.000 1.003 35 R HN 0.323 8.528 8.270 -0.108 0.000 0.470 36 K N 5.547 125.764 120.400 -0.304 0.000 2.371 36 K HA 0.400 4.698 4.320 -0.038 0.000 0.251 36 K C -1.223 175.414 176.600 0.061 0.000 0.934 36 K CA -1.522 54.720 56.287 -0.074 0.000 0.798 36 K CB 3.669 36.127 32.500 -0.070 0.000 1.204 36 K HN 0.454 8.421 8.250 -0.472 0.000 0.427 37 S N 2.413 118.163 115.700 0.084 0.000 2.533 37 S HA -0.286 4.142 4.470 -0.070 0.000 0.282 37 S C 0.275 174.837 174.600 -0.063 0.000 1.304 37 S CA 1.711 59.910 58.200 -0.001 0.000 1.063 37 S CB 0.300 63.505 63.200 0.008 0.000 0.881 37 S HN 0.343 8.692 8.310 0.065 0.000 0.493 38 G N 4.511 113.220 108.800 -0.151 0.000 2.655 38 G HA2 -0.393 3.496 3.960 -0.037 0.000 0.680 38 G HA3 -0.393 3.586 3.960 -0.070 -0.061 0.680 38 G C -1.962 172.925 174.900 -0.022 0.000 1.302 38 G CA -0.642 44.417 45.100 -0.068 0.000 0.872 38 G HN 0.060 8.164 8.290 -0.310 0.000 0.540 39 M N -1.310 118.274 119.600 -0.026 0.000 2.478 39 M HA 0.153 4.728 4.480 0.006 -0.092 0.327 39 M C -0.740 175.511 176.300 -0.081 0.000 1.187 39 M CA -0.316 54.962 55.300 -0.036 0.000 1.022 39 M CB 3.258 35.818 32.600 -0.067 0.000 1.629 39 M HN 0.241 8.436 8.290 -0.034 0.075 0.461 40 N N 1.428 120.076 118.700 -0.087 0.000 2.499 40 N HA 0.274 5.079 4.740 -0.101 -0.125 0.281 40 N C -1.199 174.193 175.510 -0.197 0.000 1.098 40 N CA 0.139 53.120 53.050 -0.116 0.000 0.979 40 N CB 2.146 40.576 38.487 -0.095 0.000 1.121 40 N HN 0.146 8.485 8.380 -0.068 0.000 0.466 41 I N 4.173 124.595 120.570 -0.246 0.000 2.410 41 I HA 0.569 4.695 4.170 -0.421 -0.208 0.286 41 I C -1.332 174.536 176.117 -0.414 0.000 1.009 41 I CA -2.796 58.253 61.300 -0.418 0.000 1.111 41 I CB 0.063 37.700 38.000 -0.605 0.000 1.262 41 I HN 0.666 8.761 8.210 -0.192 0.000 0.443 42 N N 6.649 125.105 118.700 -0.406 0.000 2.443 42 N HA 0.486 5.162 4.740 -0.324 -0.131 0.295 42 N C -1.324 173.828 175.510 -0.597 0.000 1.076 42 N CA -1.168 51.654 53.050 -0.380 0.000 0.919 42 N CB 3.012 41.404 38.487 -0.158 0.000 1.176 42 N HN 0.223 8.401 8.380 -0.337 0.000 0.487 43 F N 0.087 119.715 119.950 -0.538 0.000 2.495 43 F HA 0.538 5.124 4.527 -0.148 -0.148 0.327 43 F C -0.650 174.858 175.800 -0.486 0.000 1.103 43 F CA -1.221 56.569 58.000 -0.350 0.000 0.949 43 F CB 3.350 42.175 39.000 -0.292 0.000 1.142 43 F HN 0.266 8.379 8.300 -0.311 0.000 0.457 44 Y N -0.300 120.139 120.300 0.232 0.000 2.512 44 Y HA 0.553 5.388 4.550 0.202 -0.164 0.348 44 Y C -0.785 175.252 175.900 0.228 0.000 0.990 44 Y CA -1.731 56.498 58.100 0.216 0.000 1.033 44 Y CB 3.888 42.485 38.460 0.229 0.000 1.259 44 Y HN 0.862 9.334 8.280 0.320 0.000 0.461 45 Q N 1.162 121.168 119.800 0.344 0.000 2.330 45 Q HA -0.127 4.336 4.340 0.205 0.000 0.279 45 Q C -1.993 174.169 176.000 0.271 0.000 1.024 45 Q CA 0.639 56.587 55.803 0.241 0.000 0.900 45 Q CB 1.282 30.121 28.738 0.168 0.000 1.221 45 Q HN 0.093 8.571 8.270 0.345 0.000 0.396 46 Y N 5.419 125.776 120.300 0.095 0.000 2.433 46 Y HA 0.054 4.639 4.550 0.058 0.000 0.337 46 Y C -2.118 173.772 175.900 -0.017 0.000 1.026 46 Y CA -0.955 57.174 58.100 0.047 0.000 1.037 46 Y CB 3.322 41.802 38.460 0.032 0.000 1.245 46 Y HN 0.202 8.607 8.280 0.208 0.000 0.443 47 S N 6.361 121.778 115.700 -0.471 0.000 2.528 47 S HA 0.037 4.436 4.470 -0.119 0.000 0.277 47 S C -0.745 173.819 174.600 -0.061 0.000 1.297 47 S CA -0.083 57.982 58.200 -0.224 0.000 1.052 47 S CB 0.875 63.914 63.200 -0.268 0.000 0.917 47 S HN 0.455 8.232 8.310 -0.888 0.000 0.492 48 L N 6.146 127.356 121.223 -0.021 0.000 2.540 48 L HA -0.325 4.177 4.340 0.023 -0.148 0.276 48 L C 0.253 177.121 176.870 -0.004 0.000 1.212 48 L CA 1.399 56.234 54.840 -0.007 0.000 0.893 48 L CB 0.053 42.078 42.059 -0.057 0.000 1.138 48 L HN 0.329 8.533 8.230 -0.043 0.000 0.491 49 K N -0.578 119.833 120.400 0.019 0.000 3.341 49 K HA -0.495 3.821 4.320 -0.006 0.000 0.305 49 K C -1.423 175.194 176.600 0.028 0.000 1.270 49 K CA 1.826 58.116 56.287 0.006 0.000 0.897 49 K CB -1.532 30.960 32.500 -0.013 0.000 1.264 49 K HN 0.804 8.966 8.250 0.027 0.104 0.468 50 D N 0.320 120.756 120.400 0.059 0.000 2.344 50 D HA -0.019 4.631 4.640 0.017 0.000 0.253 50 D C -0.219 176.202 176.300 0.201 0.000 1.255 50 D CA -0.267 53.758 54.000 0.042 0.000 0.894 50 D CB 0.144 40.819 40.800 -0.208 0.000 1.067 50 D HN -0.693 7.677 8.370 0.085 0.051 0.492 51 S N 4.174 119.980 115.700 0.177 0.000 2.583 51 S HA 0.150 4.804 4.470 0.307 0.000 0.239 51 S C -0.321 174.525 174.600 0.409 0.000 0.966 51 S CA -0.119 58.263 58.200 0.303 0.000 0.973 51 S CB 0.412 63.724 63.200 0.186 0.000 0.794 51 S HN 0.064 8.451 8.310 0.129 0.000 0.463 52 S N 1.306 117.168 115.700 0.270 0.000 2.731 52 S HA 0.237 4.846 4.470 0.233 0.000 0.244 52 S C 1.297 175.911 174.600 0.022 0.000 1.084 52 S CA 0.871 59.187 58.200 0.193 0.000 0.877 52 S CB 0.786 64.110 63.200 0.206 0.000 0.798 52 S HN -0.151 8.531 8.310 0.225 -0.238 0.496 53 T N 5.514 120.078 114.554 0.016 0.000 2.777 53 T HA -0.269 3.944 4.350 -0.228 0.000 0.266 53 T C 1.385 175.972 174.700 -0.187 0.000 1.040 53 T CA 4.666 66.644 62.100 -0.202 0.000 1.141 53 T CB 0.080 68.678 68.868 -0.451 0.000 0.868 53 T HN -0.189 8.401 8.240 0.068 -0.309 0.444 54 Y N -0.385 119.885 120.300 -0.050 0.000 2.639 54 Y HA -0.247 4.252 4.550 -0.085 0.000 0.297 54 Y C -0.115 175.662 175.900 -0.205 0.000 1.151 54 Y CA 1.173 59.189 58.100 -0.139 0.000 1.335 54 Y CB -1.439 36.848 38.460 -0.289 0.000 0.994 54 Y HN 0.145 8.727 8.280 0.503 0.000 0.548 55 S N -3.197 111.934 115.700 -0.947 0.000 2.523 55 S HA -0.007 3.930 4.470 -0.955 -0.039 0.217 55 S C -0.140 173.999 174.600 -0.769 0.000 0.996 55 S CA -0.737 56.814 58.200 -1.082 0.000 0.921 55 S CB 0.843 63.090 63.200 -1.589 0.000 0.829 55 S HN -0.242 7.453 8.310 -0.805 0.131 0.495 56 N N 2.882 121.364 118.700 -0.363 0.000 2.530 56 N HA 0.029 4.789 4.740 0.033 0.000 0.277 56 N C -0.607 174.942 175.510 0.065 0.000 1.168 56 N CA 0.509 53.551 53.050 -0.014 0.000 0.979 56 N CB 1.356 39.942 38.487 0.165 0.000 1.141 56 N HN -0.759 7.417 8.380 -0.271 0.041 0.459 57 A N 1.930 124.829 122.820 0.133 0.000 1.975 57 A HA -0.115 4.327 4.320 0.204 0.000 0.215 57 A C 1.087 178.797 177.584 0.210 0.000 1.170 57 A CA 2.729 54.900 52.037 0.224 0.000 0.656 57 A CB -0.140 19.053 19.000 0.323 0.000 0.821 57 A HN 0.813 9.059 8.150 0.160 0.000 0.449 58 A N -0.418 122.458 122.820 0.095 0.000 1.902 58 A HA -0.338 3.939 4.320 -0.073 0.000 0.217 58 A C 1.298 178.664 177.584 -0.364 0.000 1.181 58 A CA 2.821 54.781 52.037 -0.129 0.000 0.623 58 A CB -0.856 18.081 19.000 -0.105 0.000 0.818 58 A HN -0.160 8.151 8.150 0.111 -0.095 0.443 59 Y N 0.019 120.201 120.300 -0.196 0.000 2.128 59 Y HA -0.443 3.962 4.550 -0.242 0.000 0.284 59 Y C 1.507 177.408 175.900 0.001 0.000 1.154 59 Y CA 3.911 61.925 58.100 -0.144 0.000 1.149 59 Y CB 0.103 38.537 38.460 -0.042 0.000 0.976 59 Y HN -0.545 8.056 8.280 0.100 -0.261 0.505 60 M N -4.541 115.060 119.600 0.000 0.000 2.319 60 M HA -0.279 4.138 4.480 -0.106 0.000 0.265 60 M C 1.281 177.660 176.300 0.131 0.000 1.068 60 M CA 1.070 56.359 55.300 -0.018 0.000 1.118 60 M CB -0.855 31.702 32.600 -0.071 0.000 1.395 60 M HN -0.539 7.821 8.290 0.117 0.000 0.435 61 A N -3.078 119.882 122.820 0.234 0.000 1.898 61 A HA -0.166 4.458 4.320 0.507 0.000 0.214 61 A C 0.025 177.802 177.584 0.322 0.000 1.183 61 A CA 2.480 54.759 52.037 0.403 0.000 0.622 61 A CB 1.315 20.585 19.000 0.450 0.000 0.824 61 A HN -0.158 8.100 8.150 0.179 0.000 0.444 62 Y N -10.905 109.330 120.300 -0.109 0.000 2.580 62 Y HA 0.211 4.265 4.550 -0.827 0.000 0.290 62 Y C 1.459 176.914 175.900 -0.742 0.000 0.981 62 Y CA -0.789 56.995 58.100 -0.526 0.000 1.120 62 Y CB 0.821 39.120 38.460 -0.268 0.000 1.415 62 Y HN -0.217 7.803 8.280 -0.433 0.000 0.588 63 G N 1.651 109.844 108.800 -1.012 0.000 2.470 63 G HA2 -0.333 3.314 3.960 -0.521 0.000 0.220 63 G HA3 -0.333 3.331 3.960 -0.493 0.000 0.220 63 G C 0.782 175.330 174.900 -0.587 0.000 1.121 63 G CA 2.154 46.861 45.100 -0.654 0.000 0.766 63 G HN 0.197 7.823 8.290 -1.107 0.000 0.553 64 Y N 0.483 120.259 120.300 -0.873 0.000 2.241 64 Y HA -0.425 3.756 4.550 -0.615 0.000 0.286 64 Y C 1.064 176.600 175.900 -0.607 0.000 1.166 64 Y CA 1.000 58.628 58.100 -0.786 0.000 1.203 64 Y CB -1.699 36.261 38.460 -0.833 0.000 0.977 64 Y HN -0.393 7.234 8.280 -1.023 0.039 0.529 65 A N -2.914 119.246 122.820 -1.100 0.000 2.238 65 A HA -0.055 3.482 4.320 -1.306 0.000 0.208 65 A C 0.066 177.466 177.584 -0.307 0.000 1.177 65 A CA 0.540 52.045 52.037 -0.886 0.000 0.804 65 A CB -0.623 17.917 19.000 -0.767 0.000 0.823 65 A HN -0.629 6.631 8.150 -1.445 0.022 0.482 66 S N -2.886 112.685 115.700 -0.215 0.000 2.558 66 S HA -0.074 4.380 4.470 -0.027 0.000 0.217 66 S C 0.894 175.516 174.600 0.036 0.000 0.975 66 S CA 0.716 58.887 58.200 -0.048 0.000 0.912 66 S CB 0.601 63.784 63.200 -0.027 0.000 0.776 66 S HN -0.429 7.550 8.310 -0.280 0.164 0.526 67 K N 1.562 122.008 120.400 0.075 0.000 2.127 67 K HA 0.080 4.476 4.320 0.126 0.000 0.240 67 K C -0.109 176.636 176.600 0.242 0.000 1.024 67 K CA -0.785 55.600 56.287 0.162 0.000 0.918 67 K CB 1.214 33.843 32.500 0.216 0.000 1.108 67 K HN -0.716 7.517 8.250 0.028 0.034 0.485 68 T N 1.800 116.481 114.554 0.212 0.000 2.902 68 T HA -0.118 4.340 4.350 0.181 0.000 0.301 68 T C -0.306 174.560 174.700 0.276 0.000 1.012 68 T CA 1.561 63.783 62.100 0.204 0.000 1.151 68 T CB 0.528 69.482 68.868 0.144 0.000 0.946 68 T HN 0.107 8.451 8.240 0.174 0.000 0.542 69 K N 7.821 128.352 120.400 0.219 0.000 2.312 69 K HA 0.001 4.339 4.320 -0.186 -0.130 0.287 69 K C -0.014 176.589 176.600 0.004 0.000 1.062 69 K CA 0.026 56.310 56.287 -0.006 0.000 0.934 69 K CB 0.179 32.653 32.500 -0.043 0.000 1.027 69 K HN 0.299 8.671 8.250 0.204 0.000 0.478 70 L N 5.257 126.475 121.223 -0.008 0.000 2.249 70 L HA 0.087 4.519 4.340 0.153 0.000 0.207 70 L C 0.314 177.292 176.870 0.179 0.000 1.090 70 L CA 0.691 55.614 54.840 0.138 0.000 0.802 70 L CB 0.575 42.782 42.059 0.246 0.000 0.947 70 L HN 0.673 8.742 8.230 -0.088 0.109 0.453 71 G N -4.856 103.902 108.800 -0.071 0.000 2.345 71 G HA2 -0.089 3.806 3.960 -0.108 0.000 0.285 71 G HA3 -0.089 3.844 3.960 -0.046 0.000 0.285 71 G C -2.953 171.709 174.900 -0.396 0.000 1.297 71 G CA -0.048 44.945 45.100 -0.178 0.000 0.875 71 G HN -0.893 7.293 8.290 -0.172 0.000 0.506 72 S N -1.264 114.214 115.700 -0.371 0.000 2.565 72 S HA 0.894 5.491 4.470 -0.125 -0.202 0.269 72 S C -1.806 172.753 174.600 -0.069 0.000 1.153 72 S CA -0.718 57.381 58.200 -0.169 0.000 0.835 72 S CB 3.793 66.936 63.200 -0.096 0.000 1.122 72 S HN 0.039 8.171 8.310 -0.296 0.000 0.462 73 V N 0.918 120.848 119.914 0.026 0.000 2.841 73 V HA 0.313 4.487 4.120 0.091 0.000 0.310 73 V C -1.946 174.154 176.094 0.011 0.000 1.090 73 V CA -2.199 60.151 62.300 0.084 0.000 0.930 73 V CB 4.451 36.400 31.823 0.210 0.000 1.014 73 V HN 0.604 8.799 8.190 0.008 0.000 0.425 74 G N 4.606 113.418 108.800 0.020 0.000 2.597 74 G HA2 0.153 4.113 3.960 0.000 0.000 0.317 74 G HA3 0.153 4.094 3.960 -0.032 0.000 0.317 74 G C -1.086 173.818 174.900 0.007 0.000 1.230 74 G CA -1.868 43.229 45.100 -0.005 0.000 0.996 74 G HN -0.050 8.265 8.290 0.041 0.000 0.490 75 G N -1.992 106.805 108.800 -0.005 0.000 2.221 75 G HA2 -0.371 3.599 3.960 0.017 0.000 0.265 75 G HA3 -0.371 3.805 3.960 -0.003 -0.219 0.265 75 G C -0.027 174.881 174.900 0.013 0.000 1.041 75 G CA 0.434 45.537 45.100 0.005 0.000 0.807 75 G HN 0.230 8.511 8.290 -0.015 0.000 0.502 76 Q N -0.289 119.505 119.800 -0.010 0.000 2.296 76 Q HA 0.250 4.629 4.340 0.064 0.000 0.257 76 Q C 0.016 176.035 176.000 0.033 0.000 0.942 76 Q CA -1.094 54.717 55.803 0.013 0.000 0.939 76 Q CB 0.181 28.862 28.738 -0.094 0.000 1.198 76 Q HN -0.406 7.840 8.270 -0.040 0.000 0.429 77 T N -0.448 114.160 114.554 0.090 0.000 2.990 77 T HA -0.030 4.395 4.350 0.125 0.000 0.249 77 T C -1.062 173.773 174.700 0.224 0.000 1.039 77 T CA 0.614 62.792 62.100 0.130 0.000 1.036 77 T CB 0.900 69.819 68.868 0.085 0.000 0.994 77 T HN 0.490 8.791 8.240 0.103 0.000 0.489 78 D N 2.000 122.535 120.400 0.225 0.000 2.396 78 D HA 0.321 5.457 4.640 0.263 -0.338 0.225 78 D C -0.003 176.532 176.300 0.392 0.000 1.121 78 D CA 0.659 54.820 54.000 0.267 0.000 0.853 78 D CB 0.727 41.647 40.800 0.199 0.000 1.043 78 D HN -0.446 8.048 8.370 0.208 0.000 0.500 79 I N -4.398 116.417 120.570 0.409 0.000 4.154 79 I HA 0.374 4.862 4.170 0.529 0.000 0.334 79 I C -0.056 176.293 176.117 0.388 0.000 1.371 79 I CA -1.094 60.450 61.300 0.407 0.000 1.110 79 I CB 1.685 39.803 38.000 0.197 0.000 1.085 79 I HN 0.062 8.526 8.210 0.422 0.000 0.398 80 S N 2.004 117.880 115.700 0.293 0.000 2.585 80 S HA 0.033 4.705 4.470 0.136 -0.120 0.273 80 S C -0.654 173.966 174.600 0.034 0.000 1.339 80 S CA 0.723 59.015 58.200 0.153 0.000 1.028 80 S CB 1.097 64.372 63.200 0.124 0.000 0.906 80 S HN -0.613 7.871 8.310 0.290 0.000 0.528 81 I N 1.811 122.329 120.570 -0.087 0.000 2.354 81 I HA 0.088 4.113 4.170 -0.242 0.000 0.292 81 I C -1.876 174.172 176.117 -0.114 0.000 0.989 81 I CA -2.264 58.909 61.300 -0.212 0.000 1.188 81 I CB 0.641 38.336 38.000 -0.508 0.000 1.342 81 I HN 0.156 8.199 8.210 -0.099 0.108 0.457 82 D N 8.219 128.583 120.400 -0.060 0.000 2.586 82 D HA 0.170 4.929 4.640 0.026 -0.103 0.254 82 D C -2.119 174.220 176.300 0.065 0.000 1.248 82 D CA -0.857 53.150 54.000 0.012 0.000 0.843 82 D CB 1.341 42.145 40.800 0.006 0.000 1.332 82 D HN 0.532 8.855 8.370 -0.079 0.000 0.523 83 Y N 4.961 125.260 120.300 -0.001 0.000 2.328 83 Y HA 0.208 4.868 4.550 -0.021 -0.122 0.337 83 Y C -2.449 173.493 175.900 0.071 0.000 1.008 83 Y CA -1.200 56.901 58.100 0.001 0.000 1.129 83 Y CB 2.288 40.734 38.460 -0.024 0.000 1.185 83 Y HN 0.311 8.710 8.280 0.198 0.000 0.476 84 N N 7.282 125.515 118.700 -0.777 0.000 2.342 84 N HA 0.232 4.692 4.740 -0.467 0.000 0.293 84 N C -1.166 173.679 175.510 -1.108 0.000 1.026 84 N CA -0.911 51.761 53.050 -0.630 0.000 0.857 84 N CB 3.672 42.114 38.487 -0.074 0.000 1.256 84 N HN 0.077 8.049 8.380 -0.681 0.000 0.484 85 I N -3.289 116.544 120.570 -1.229 0.000 2.882 85 I HA 0.228 3.892 4.170 -0.843 0.000 0.286 85 I C -2.067 173.736 176.117 -0.523 0.000 1.139 85 I CA -1.949 58.794 61.300 -0.927 0.000 1.379 85 I CB -0.373 37.022 38.000 -1.009 0.000 1.410 85 I HN 0.201 7.441 8.210 -1.617 0.000 0.594 86 P HA -0.053 4.396 4.420 -0.164 -0.128 0.272 86 P C -1.435 175.833 177.300 -0.054 0.000 1.223 86 P CA -0.488 62.449 63.100 -0.272 0.000 0.784 86 P CB 0.200 31.687 31.700 -0.354 0.000 0.923 87 c N 4.083 122.680 118.600 -0.005 0.000 2.281 87 c HA 0.210 4.795 4.570 -0.185 -0.126 0.323 87 c C -1.052 172.982 174.090 -0.093 0.000 1.270 87 c CA -2.018 54.232 56.329 -0.131 0.000 1.559 87 c CB 0.192 42.556 42.510 -0.244 0.000 2.239 87 c HN 0.492 8.726 8.230 0.006 0.000 0.488 88 V N 11.263 131.118 119.914 -0.098 0.000 2.488 88 V HA 0.191 4.288 4.120 -0.038 0.000 0.277 88 V C -0.982 175.063 176.094 -0.082 0.000 1.046 88 V CA 0.452 62.719 62.300 -0.054 0.000 0.986 88 V CB 0.666 32.484 31.823 -0.008 0.000 0.989 88 V HN 0.369 8.855 8.190 -0.096 -0.353 0.475 89 S N 6.726 122.410 115.700 -0.026 0.000 2.697 89 S HA 0.680 5.118 4.470 -0.053 0.000 0.289 89 S C 0.964 175.568 174.600 0.007 0.000 1.149 89 S CA -1.532 56.655 58.200 -0.022 0.000 0.850 89 S CB 2.911 66.108 63.200 -0.005 0.000 1.151 89 S HN 0.258 8.571 8.310 0.004 0.000 0.491 90 S N 0.991 116.693 115.700 0.005 0.000 2.442 90 S HA -0.103 4.372 4.470 0.008 0.000 0.236 90 S C 1.163 175.785 174.600 0.036 0.000 1.007 90 S CA 2.797 61.005 58.200 0.013 0.000 0.965 90 S CB -0.006 63.197 63.200 0.006 0.000 0.773 90 S HN 0.723 9.029 8.310 -0.006 0.000 0.504 91 S N -2.180 113.561 115.700 0.069 0.000 2.517 91 S HA 0.101 4.622 4.470 0.085 0.000 0.214 91 S C -0.067 174.667 174.600 0.223 0.000 0.991 91 S CA 0.145 58.414 58.200 0.115 0.000 0.906 91 S CB 1.179 64.436 63.200 0.095 0.000 0.789 91 S HN -0.089 8.123 8.310 0.069 0.139 0.513 92 G N 0.643 109.561 108.800 0.197 0.000 2.357 92 G HA2 -0.173 3.798 3.960 0.017 0.000 0.289 92 G HA3 -0.173 3.774 3.960 -0.022 0.000 0.289 92 G C -3.037 171.846 174.900 -0.028 0.000 1.302 92 G CA -0.134 44.998 45.100 0.053 0.000 0.936 92 G HN -0.703 7.523 8.290 0.141 0.148 0.513 93 T N 1.875 116.206 114.554 -0.372 0.000 2.758 93 T HA 0.791 5.291 4.350 -0.103 -0.212 0.285 93 T C -0.642 173.692 174.700 -0.611 0.000 0.981 93 T CA -0.158 61.766 62.100 -0.294 0.000 0.965 93 T CB 0.864 69.616 68.868 -0.194 0.000 0.927 93 T HN -0.020 7.925 8.240 -0.491 0.000 0.448 94 F N 4.910 124.833 119.950 -0.045 0.000 2.601 94 F HA 0.414 4.926 4.527 -0.026 0.000 0.309 94 F C -2.442 173.332 175.800 -0.043 0.000 1.089 94 F CA -2.769 55.210 58.000 -0.034 0.000 0.940 94 F CB 3.369 42.354 39.000 -0.025 0.000 1.273 94 F HN 0.069 8.434 8.300 0.109 0.000 0.450 95 P HA 0.062 4.614 4.420 -0.033 -0.151 0.275 95 P C -1.152 176.216 177.300 0.114 0.000 1.227 95 P CA -0.606 62.519 63.100 0.042 0.000 0.781 95 P CB 0.320 32.022 31.700 0.002 0.000 0.906 96 C N 3.572 122.967 119.300 0.159 0.000 2.281 96 C HA 0.622 5.212 4.460 0.217 0.000 0.323 96 C C -2.503 172.723 174.990 0.393 0.000 1.270 96 C CA -3.861 55.332 59.018 0.293 0.000 1.559 96 C CB 2.204 30.232 27.740 0.481 0.000 2.239 96 C HN 0.473 8.770 8.230 0.112 0.000 0.488 97 P HA -0.101 4.749 4.420 0.165 -0.332 0.264 97 P C -0.144 177.175 177.300 0.032 0.000 1.193 97 P CA 0.367 63.555 63.100 0.146 0.000 0.763 97 P CB 0.523 32.258 31.700 0.058 0.000 0.810 98 Q N 5.580 125.168 119.800 -0.354 0.000 2.135 98 Q HA -0.456 3.115 4.340 -1.281 0.000 0.204 98 Q C 1.594 177.305 176.000 -0.481 0.000 0.981 98 Q CA 4.076 59.268 55.803 -1.019 0.000 0.856 98 Q CB -0.179 27.552 28.738 -1.677 0.000 0.902 98 Q HN 0.594 8.652 8.270 -0.353 0.000 0.425 99 E N -3.835 116.205 120.200 -0.267 0.000 2.338 99 E HA -0.246 4.004 4.350 -0.166 0.000 0.197 99 E C 0.281 176.853 176.600 -0.046 0.000 1.007 99 E CA 1.861 58.175 56.400 -0.144 0.000 0.849 99 E CB -1.473 28.166 29.700 -0.102 0.000 0.774 99 E HN 0.335 8.543 8.360 -0.238 0.009 0.506 100 D N -0.931 119.474 120.400 0.007 0.000 2.350 100 D HA 0.190 4.885 4.640 0.092 0.000 0.213 100 D C -0.461 175.981 176.300 0.236 0.000 1.031 100 D CA 0.328 54.392 54.000 0.107 0.000 0.861 100 D CB 0.646 41.511 40.800 0.108 0.000 0.926 100 D HN -0.306 7.908 8.370 -0.009 0.150 0.520 101 S N 0.283 116.101 115.700 0.197 0.000 2.580 101 S HA 0.355 5.279 4.470 0.413 -0.206 0.274 101 S C -0.394 174.397 174.600 0.318 0.000 1.329 101 S CA 0.089 58.483 58.200 0.325 0.000 1.036 101 S CB 1.300 64.687 63.200 0.311 0.000 0.919 101 S HN -0.698 7.496 8.310 0.067 0.156 0.515 102 Y N -2.246 118.192 120.300 0.229 0.000 2.656 102 Y HA 0.025 4.635 4.550 0.101 0.000 0.334 102 Y C -1.155 174.857 175.900 0.188 0.000 1.179 102 Y CA -0.665 57.519 58.100 0.140 0.000 1.050 102 Y CB 1.028 39.536 38.460 0.080 0.000 1.308 102 Y HN 0.198 8.531 8.280 0.089 0.000 0.456 103 G N 1.302 110.260 108.800 0.263 0.000 2.582 103 G HA2 -0.441 3.616 3.960 0.162 0.000 0.288 103 G HA3 -0.441 3.630 3.960 0.184 0.000 0.288 103 G C -1.280 173.706 174.900 0.144 0.000 1.247 103 G CA 1.103 46.308 45.100 0.176 0.000 0.972 103 G HN 0.352 8.823 8.290 0.301 0.000 0.557 104 N N 2.215 120.993 118.700 0.130 0.000 2.646 104 N HA 0.358 5.235 4.740 0.228 0.000 0.303 104 N C -1.668 173.982 175.510 0.233 0.000 1.921 104 N CA -0.418 52.743 53.050 0.186 0.000 0.872 104 N CB 0.149 38.709 38.487 0.122 0.000 1.327 104 N HN 0.340 8.772 8.380 0.086 0.000 0.492 105 W N -1.483 119.771 121.300 -0.078 0.000 3.075 105 W HA 0.700 5.371 4.660 -0.202 -0.132 0.334 105 W C -3.119 173.230 176.519 -0.284 0.000 1.243 105 W CA -2.046 55.200 57.345 -0.164 0.000 1.170 105 W CB 1.294 30.712 29.460 -0.071 0.000 1.452 105 W HN -0.465 7.812 8.180 0.162 0.000 0.572 106 G N -2.352 106.080 108.800 -0.613 0.000 2.733 106 G HA2 0.717 4.015 3.960 -1.135 0.000 0.288 106 G HA3 0.717 4.254 3.960 -0.813 -0.065 0.288 106 G C -3.158 171.366 174.900 -0.626 0.000 1.373 106 G CA -0.572 43.983 45.100 -0.909 0.000 0.895 106 G HN 0.485 8.417 8.290 -0.596 0.000 0.479 107 C N 0.423 119.550 119.300 -0.287 0.000 2.397 107 C HA 0.514 5.256 4.460 0.198 -0.163 0.325 107 C C -1.163 173.963 174.990 0.227 0.000 1.201 107 C CA -2.513 56.545 59.018 0.067 0.000 1.377 107 C CB 2.599 30.350 27.740 0.018 0.000 2.038 107 C HN 0.080 8.146 8.230 -0.274 0.000 0.457 108 K N 8.849 129.444 120.400 0.325 0.000 2.472 108 K HA -0.163 4.297 4.320 0.233 0.000 0.280 108 K C 0.498 177.144 176.600 0.077 0.000 1.028 108 K CA 1.332 57.736 56.287 0.196 0.000 1.045 108 K CB -0.302 32.249 32.500 0.085 0.000 0.902 108 K HN 0.241 8.693 8.250 0.337 0.000 0.478 109 G N 2.706 111.531 108.800 0.041 0.000 2.175 109 G HA2 -0.233 3.708 3.960 -0.033 0.000 0.244 109 G HA3 -0.233 3.713 3.960 -0.024 0.000 0.244 109 G C -0.221 174.654 174.900 -0.042 0.000 0.982 109 G CA 0.481 45.571 45.100 -0.016 0.000 0.641 109 G HN 0.443 8.764 8.290 0.052 0.000 0.527 110 M N -1.185 118.406 119.600 -0.015 0.000 2.296 110 M HA 0.225 4.660 4.480 -0.075 0.000 0.291 110 M C -0.833 175.444 176.300 -0.038 0.000 1.013 110 M CA 0.154 55.424 55.300 -0.051 0.000 1.089 110 M CB 2.587 35.149 32.600 -0.064 0.000 1.677 110 M HN -0.187 8.068 8.290 0.031 0.054 0.584 111 G N -2.151 106.654 108.800 0.010 0.000 2.642 111 G HA2 -0.378 3.573 3.960 -0.014 0.000 0.231 111 G HA3 -0.378 3.630 3.960 0.081 0.000 0.231 111 G C -2.038 172.794 174.900 -0.114 0.000 1.338 111 G CA -0.632 44.472 45.100 0.006 0.000 0.883 111 G HN -0.874 7.454 8.290 0.063 0.000 0.570 112 A N 0.316 123.056 122.820 -0.133 0.000 2.407 112 A HA 0.063 4.271 4.320 -0.358 -0.102 0.248 112 A C -0.595 176.780 177.584 -0.349 0.000 1.082 112 A CA -0.051 51.831 52.037 -0.257 0.000 0.785 112 A CB 1.165 20.074 19.000 -0.152 0.000 1.020 112 A HN -0.012 8.091 8.150 -0.078 0.000 0.489 113 c N 1.280 119.519 118.600 -0.602 0.000 2.329 113 c HA 0.522 4.998 4.570 -0.470 -0.188 0.329 113 c C 1.590 175.445 174.090 -0.392 0.000 1.275 113 c CA -1.231 54.690 56.329 -0.680 0.000 1.726 113 c CB 0.420 42.007 42.510 -1.537 0.000 2.291 113 c HN 0.051 7.841 8.230 -0.734 0.000 0.514 114 S N 4.059 119.654 115.700 -0.176 0.000 2.528 114 S HA -0.161 4.282 4.470 -0.045 0.000 0.219 114 S C -0.412 174.226 174.600 0.064 0.000 0.985 114 S CA 1.533 59.708 58.200 -0.043 0.000 0.914 114 S CB 0.201 63.388 63.200 -0.022 0.000 0.776 114 S HN 0.437 8.653 8.310 -0.157 0.000 0.526 115 N N 1.541 120.318 118.700 0.129 0.000 2.489 115 N HA 0.028 4.893 4.740 0.208 0.000 0.284 115 N C -1.293 174.474 175.510 0.429 0.000 1.158 115 N CA -0.868 52.340 53.050 0.263 0.000 0.965 115 N CB 1.537 40.201 38.487 0.294 0.000 1.195 115 N HN -0.752 7.624 8.380 0.071 0.046 0.506 116 S N -0.699 115.199 115.700 0.329 0.000 2.545 116 S HA 0.093 4.714 4.470 0.252 0.000 0.275 116 S C 1.259 175.987 174.600 0.214 0.000 1.299 116 S CA -0.680 57.669 58.200 0.248 0.000 1.048 116 S CB 0.819 64.094 63.200 0.124 0.000 0.938 116 S HN 0.392 8.867 8.310 0.275 0.000 0.496 117 Q N 7.048 126.826 119.800 -0.037 0.000 2.364 117 Q HA -0.133 4.039 4.340 -0.280 0.000 0.207 117 Q C 0.686 176.637 176.000 -0.082 0.000 0.970 117 Q CA 1.612 57.273 55.803 -0.236 0.000 0.888 117 Q CB 0.176 28.622 28.738 -0.486 0.000 0.951 117 Q HN 0.713 8.928 8.270 -0.092 0.000 0.469 118 G N -4.082 104.699 108.800 -0.032 0.000 3.337 118 G HA2 0.258 4.196 3.960 -0.036 0.000 0.246 118 G HA3 0.258 4.186 3.960 -0.052 0.000 0.246 118 G C -1.801 173.061 174.900 -0.063 0.000 1.131 118 G CA -0.718 44.356 45.100 -0.043 0.000 0.773 118 G HN -0.357 7.872 8.290 -0.007 0.057 0.544 119 I N -4.246 116.260 120.570 -0.107 0.000 2.924 119 I HA 0.484 4.564 4.170 -0.150 0.000 0.316 119 I C -1.929 173.971 176.117 -0.362 0.000 1.014 119 I CA -2.078 59.088 61.300 -0.223 0.000 1.106 119 I CB 2.448 40.291 38.000 -0.262 0.000 1.311 119 I HN -0.938 7.226 8.210 -0.076 0.000 0.502 120 A N -0.520 122.093 122.820 -0.345 0.000 2.407 120 A HA -0.020 4.080 4.320 -0.367 0.000 0.248 120 A C -1.310 175.905 177.584 -0.616 0.000 1.082 120 A CA 0.059 51.829 52.037 -0.445 0.000 0.785 120 A CB 0.567 19.254 19.000 -0.522 0.000 1.020 120 A HN 0.046 8.051 8.150 -0.242 0.000 0.489 121 Y N -1.144 118.999 120.300 -0.261 0.000 2.477 121 Y HA 0.136 4.804 4.550 0.197 0.000 0.347 121 Y C -1.518 174.215 175.900 -0.279 0.000 0.981 121 Y CA -1.341 56.732 58.100 -0.045 0.000 1.033 121 Y CB 4.030 42.529 38.460 0.064 0.000 1.245 121 Y HN -0.229 7.871 8.280 -0.301 0.000 0.455 122 W N 3.188 124.495 121.300 0.012 0.000 2.429 122 W HA 0.716 5.388 4.660 -0.360 -0.228 0.314 122 W C -0.500 175.958 176.519 -0.101 0.000 1.062 122 W CA -0.601 56.598 57.345 -0.242 0.000 1.211 122 W CB 2.029 31.248 29.460 -0.402 0.000 1.305 122 W HN 0.127 8.700 8.180 0.655 0.000 0.476 123 S N 2.025 117.700 115.700 -0.042 0.000 2.752 123 S HA 0.505 5.157 4.470 0.304 0.000 0.284 123 S C -0.462 174.198 174.600 0.100 0.000 1.189 123 S CA -1.115 57.170 58.200 0.142 0.000 0.835 123 S CB 1.817 65.116 63.200 0.166 0.000 1.192 123 S HN 0.495 8.666 8.310 -0.232 0.000 0.506 124 T N -4.070 110.582 114.554 0.163 0.000 3.145 124 T HA 0.410 5.003 4.350 0.087 -0.190 0.255 124 T C 0.369 175.114 174.700 0.075 0.000 1.039 124 T CA -0.017 62.151 62.100 0.114 0.000 0.928 124 T CB 0.048 68.990 68.868 0.123 0.000 1.029 124 T HN 0.282 8.631 8.240 0.181 0.000 0.554 125 D N 3.267 123.704 120.400 0.062 0.000 2.221 125 D HA -0.196 4.464 4.640 0.033 0.000 0.204 125 D C 0.416 176.667 176.300 -0.082 0.000 0.982 125 D CA 3.382 57.404 54.000 0.036 0.000 0.857 125 D CB -0.474 40.413 40.800 0.144 0.000 0.934 125 D HN -0.276 8.021 8.370 0.074 0.118 0.475 126 L N -1.387 119.806 121.223 -0.049 0.000 2.387 126 L HA 0.017 4.014 4.340 -0.571 0.000 0.267 126 L C -1.013 176.011 176.870 0.257 0.000 1.197 126 L CA -0.561 54.229 54.840 -0.084 0.000 1.070 126 L CB -2.127 40.109 42.059 0.295 0.000 1.349 126 L HN -0.248 7.966 8.230 -0.002 0.014 0.422 127 F N 0.044 120.122 119.950 0.214 0.000 3.043 127 F HA -0.436 4.187 4.527 0.161 0.000 0.290 127 F C 0.956 176.887 175.800 0.219 0.000 0.844 127 F CA 0.442 58.569 58.000 0.212 0.000 1.184 127 F CB -2.881 36.267 39.000 0.247 0.000 1.246 127 F HN 0.175 8.222 8.300 -0.346 0.045 0.536 128 G N -4.198 104.760 108.800 0.265 0.000 2.184 128 G HA2 -0.478 3.600 3.960 0.197 0.000 0.264 128 G HA3 -0.478 3.633 3.960 0.144 -0.065 0.264 128 G C -1.121 173.902 174.900 0.205 0.000 0.975 128 G CA 0.267 45.486 45.100 0.199 0.000 0.642 128 G HN -0.213 8.160 8.290 0.188 0.031 0.536 129 F N 2.016 121.995 119.950 0.049 0.000 2.411 129 F HA 0.123 4.620 4.527 -0.050 0.000 0.355 129 F C -1.161 174.574 175.800 -0.108 0.000 1.117 129 F CA -1.164 56.765 58.000 -0.118 0.000 1.139 129 F CB 1.605 40.298 39.000 -0.511 0.000 1.120 129 F HN -0.777 7.631 8.300 0.372 0.116 0.493 130 Y N 11.070 130.915 120.300 -0.758 0.000 2.531 130 Y HA 0.191 4.954 4.550 -0.290 -0.387 0.347 130 Y C -1.279 174.229 175.900 -0.653 0.000 1.024 130 Y CA 0.851 58.646 58.100 -0.509 0.000 1.306 130 Y CB 0.009 38.276 38.460 -0.322 0.000 1.149 130 Y HN 0.365 8.319 8.280 -0.544 0.000 0.527 131 T N 7.973 122.126 114.554 -0.668 0.000 2.630 131 T HA 0.252 4.299 4.350 -0.504 0.000 0.300 131 T C -2.204 172.088 174.700 -0.681 0.000 1.261 131 T CA -1.716 60.054 62.100 -0.549 0.000 1.060 131 T CB 2.556 71.255 68.868 -0.282 0.000 1.670 131 T HN 0.375 8.275 8.240 -0.566 0.000 0.473 132 T N -0.932 113.222 114.554 -0.666 0.000 3.029 132 T HA 0.919 4.938 4.350 -0.940 -0.233 0.346 132 T C -0.542 173.857 174.700 -0.502 0.000 1.211 132 T CA -3.773 57.844 62.100 -0.805 0.000 1.009 132 T CB -0.415 67.878 68.868 -0.959 0.000 1.084 132 T HN 0.332 8.280 8.240 -0.486 0.000 0.536 133 P HA -0.044 4.162 4.420 -0.357 0.000 0.226 133 P C 0.004 176.980 177.300 -0.540 0.000 1.153 133 P CA 2.014 64.720 63.100 -0.657 0.000 0.777 133 P CB -0.110 30.798 31.700 -1.321 0.000 0.794 134 T N -7.820 106.477 114.554 -0.428 0.000 2.849 134 T HA -0.330 4.175 4.350 -0.032 -0.174 0.270 134 T C -0.824 173.792 174.700 -0.139 0.000 1.066 134 T CA 1.717 63.726 62.100 -0.152 0.000 1.130 134 T CB 0.095 68.907 68.868 -0.094 0.000 0.864 134 T HN -0.182 7.749 8.240 -0.471 0.026 0.481 135 N N -0.960 117.642 118.700 -0.164 0.000 2.747 135 N HA 0.285 5.276 4.740 -0.042 -0.276 0.262 135 N C -2.590 172.927 175.510 0.011 0.000 1.261 135 N CA -0.235 52.788 53.050 -0.046 0.000 0.809 135 N CB 1.779 40.262 38.487 -0.007 0.000 1.450 135 N HN -0.476 7.731 8.380 -0.221 0.040 0.560 136 V N 0.854 120.786 119.914 0.031 0.000 3.236 136 V HA 0.278 4.527 4.120 0.216 0.000 0.287 136 V C -2.804 173.335 176.094 0.075 0.000 1.491 136 V CA -1.506 60.873 62.300 0.132 0.000 1.037 136 V CB 3.913 35.821 31.823 0.142 0.000 1.160 136 V HN 0.182 8.322 8.190 -0.083 0.000 0.453 137 T N 7.153 121.828 114.554 0.202 0.000 2.812 137 T HA 0.693 5.213 4.350 -0.045 -0.198 0.282 137 T C -1.415 173.349 174.700 0.108 0.000 0.990 137 T CA -0.421 61.746 62.100 0.111 0.000 0.960 137 T CB 1.570 70.581 68.868 0.238 0.000 0.948 137 T HN 0.090 8.507 8.240 0.296 0.000 0.438 138 L N 5.824 127.036 121.223 -0.018 0.000 2.334 138 L HA 0.729 5.068 4.340 -0.319 -0.190 0.275 138 L C -1.874 174.838 176.870 -0.263 0.000 1.036 138 L CA -0.920 53.802 54.840 -0.197 0.000 0.807 138 L CB 2.666 44.620 42.059 -0.176 0.000 1.231 138 L HN 0.827 9.056 8.230 -0.001 0.000 0.438 139 E N 2.570 122.602 120.200 -0.281 0.000 2.185 139 E HA 0.647 4.981 4.350 -0.311 -0.171 0.261 139 E C -1.430 175.034 176.600 -0.226 0.000 0.879 139 E CA -1.777 54.469 56.400 -0.258 0.000 0.756 139 E CB 3.034 32.669 29.700 -0.108 0.000 1.152 139 E HN 0.449 8.640 8.360 -0.282 0.000 0.416 140 M N 8.237 127.719 119.600 -0.196 0.000 2.180 140 M HA 0.807 5.359 4.480 -0.240 -0.216 0.350 140 M C -0.538 175.707 176.300 -0.092 0.000 1.125 140 M CA -0.789 54.397 55.300 -0.189 0.000 1.031 140 M CB 1.926 34.412 32.600 -0.190 0.000 1.623 140 M HN 0.905 9.092 8.290 -0.171 0.000 0.451 141 T N -0.753 113.748 114.554 -0.088 0.000 2.906 141 T HA 1.074 5.670 4.350 0.066 -0.207 0.295 141 T C -0.722 173.977 174.700 -0.002 0.000 1.061 141 T CA -2.677 59.402 62.100 -0.035 0.000 1.000 141 T CB 3.739 72.478 68.868 -0.215 0.000 1.103 141 T HN 0.465 8.633 8.240 -0.120 0.000 0.486 142 G N -0.056 108.824 108.800 0.134 0.000 2.325 142 G HA2 0.366 4.485 3.960 0.220 0.000 0.295 142 G HA3 0.366 4.486 3.960 0.229 -0.022 0.295 142 G C -3.596 171.482 174.900 0.298 0.000 1.274 142 G CA 1.101 46.336 45.100 0.225 0.000 0.857 142 G HN -0.251 8.204 8.290 0.275 0.000 0.499 143 Y N -2.669 117.915 120.300 0.474 0.000 2.376 143 Y HA 0.504 5.512 4.550 0.474 -0.174 0.340 143 Y C -1.409 174.820 175.900 0.548 0.000 0.965 143 Y CA -1.504 56.921 58.100 0.542 0.000 1.078 143 Y CB 4.034 42.907 38.460 0.688 0.000 1.193 143 Y HN 0.369 9.078 8.280 0.716 0.000 0.452 144 F N 4.254 124.496 119.950 0.487 0.000 2.411 144 F HA 0.600 5.579 4.527 0.404 -0.209 0.350 144 F C -1.866 174.177 175.800 0.404 0.000 1.114 144 F CA -1.431 56.806 58.000 0.395 0.000 1.135 144 F CB 2.885 42.037 39.000 0.252 0.000 1.120 144 F HN 0.715 9.434 8.300 0.699 0.000 0.495 145 L N 8.628 129.777 121.223 -0.122 0.000 2.283 145 L HA 0.707 4.987 4.340 -0.100 0.000 0.281 145 L C -2.183 174.545 176.870 -0.238 0.000 1.033 145 L CA -4.474 50.278 54.840 -0.147 0.000 0.848 145 L CB 2.608 44.586 42.059 -0.134 0.000 1.226 145 L HN 0.379 8.415 8.230 -0.323 0.000 0.429 146 P HA 0.435 4.933 4.420 0.130 0.000 0.276 146 P C -1.639 175.740 177.300 0.132 0.000 1.235 146 P CA -1.505 61.646 63.100 0.084 0.000 0.772 146 P CB 0.014 31.727 31.700 0.021 0.000 0.871 147 P HA 0.063 4.515 4.420 0.053 0.000 0.235 147 P C -0.661 176.729 177.300 0.151 0.000 1.177 147 P CA 0.632 63.806 63.100 0.124 0.000 0.785 147 P CB 0.542 32.308 31.700 0.111 0.000 0.885 148 Q N -1.339 118.602 119.800 0.235 0.000 2.389 148 Q HA 0.381 4.794 4.340 0.121 0.000 0.277 148 Q C -1.744 174.360 176.000 0.174 0.000 1.082 148 Q CA -2.045 53.849 55.803 0.153 0.000 0.810 148 Q CB 2.956 31.736 28.738 0.069 0.000 1.374 148 Q HN -0.571 7.876 8.270 0.362 0.040 0.422 149 T N 3.142 117.746 114.554 0.083 0.000 2.851 149 T HA 0.381 4.900 4.350 -0.045 -0.196 0.298 149 T C 0.160 174.726 174.700 -0.223 0.000 0.977 149 T CA -0.318 61.763 62.100 -0.032 0.000 1.126 149 T CB 0.279 69.185 68.868 0.063 0.000 0.916 149 T HN 0.215 8.506 8.240 0.085 0.000 0.529 150 G N 5.953 114.390 108.800 -0.605 0.000 2.350 150 G HA2 -0.121 3.552 3.960 -0.479 0.000 0.276 150 G HA3 -0.121 3.156 3.960 -1.138 0.000 0.276 150 G C -2.809 171.556 174.900 -0.891 0.000 1.313 150 G CA -0.015 44.574 45.100 -0.853 0.000 0.903 150 G HN 0.138 8.011 8.290 -0.695 0.000 0.490 151 S N 1.305 116.708 115.700 -0.495 0.000 2.489 151 S HA 0.270 4.781 4.470 -0.167 -0.141 0.277 151 S C -1.377 173.040 174.600 -0.304 0.000 1.230 151 S CA 0.659 58.722 58.200 -0.228 0.000 1.053 151 S CB 0.878 64.047 63.200 -0.051 0.000 0.955 151 S HN 0.033 8.131 8.310 -0.355 0.000 0.488 152 Y N 5.374 125.526 120.300 -0.246 0.000 2.352 152 Y HA 0.498 5.056 4.550 -0.317 -0.199 0.339 152 Y C -0.266 175.455 175.900 -0.299 0.000 0.992 152 Y CA -1.455 56.450 58.100 -0.326 0.000 1.100 152 Y CB 2.826 41.022 38.460 -0.441 0.000 1.192 152 Y HN 0.616 8.970 8.280 0.122 0.000 0.458 153 T N 5.490 119.898 114.554 -0.244 0.000 2.788 153 T HA 0.400 4.866 4.350 -0.060 -0.152 0.296 153 T C -0.998 173.533 174.700 -0.281 0.000 1.009 153 T CA -0.263 61.739 62.100 -0.164 0.000 0.949 153 T CB 0.581 69.381 68.868 -0.112 0.000 0.946 153 T HN 0.226 8.284 8.240 -0.303 0.000 0.453 154 F N 8.018 127.887 119.950 -0.134 0.000 2.375 154 F HA 0.338 4.954 4.527 -0.123 -0.163 0.333 154 F C -0.475 175.216 175.800 -0.182 0.000 1.104 154 F CA -0.296 57.601 58.000 -0.171 0.000 1.149 154 F CB 1.827 40.667 39.000 -0.267 0.000 1.190 154 F HN 0.540 8.951 8.300 0.184 0.000 0.533 155 S N -0.737 114.971 115.700 0.012 0.000 2.540 155 S HA 0.754 5.554 4.470 -0.071 -0.373 0.275 155 S C -1.409 173.234 174.600 0.071 0.000 1.123 155 S CA -1.261 56.930 58.200 -0.015 0.000 0.907 155 S CB 3.182 66.403 63.200 0.035 0.000 1.081 155 S HN 0.419 8.773 8.310 0.074 0.000 0.476 156 F N 1.027 121.015 119.950 0.065 0.000 2.426 156 F HA 0.644 5.404 4.527 0.065 -0.194 0.348 156 F C 0.462 176.287 175.800 0.042 0.000 1.124 156 F CA -2.828 55.205 58.000 0.055 0.000 1.008 156 F CB 1.032 40.058 39.000 0.043 0.000 1.139 156 F HN 0.436 8.768 8.300 0.053 0.000 0.452 157 A N 4.692 127.644 122.820 0.220 0.000 1.969 157 A HA -0.103 4.282 4.320 0.108 0.000 0.218 157 A C -0.446 177.198 177.584 0.100 0.000 1.169 157 A CA 2.130 54.240 52.037 0.123 0.000 0.635 157 A CB 0.669 19.718 19.000 0.083 0.000 0.810 157 A HN 0.226 8.506 8.150 0.218 0.000 0.445 158 T N -6.173 108.440 114.554 0.099 0.000 2.739 158 T HA 0.132 4.528 4.350 0.076 0.000 0.303 158 T C -2.133 172.588 174.700 0.035 0.000 1.389 158 T CA -1.018 61.120 62.100 0.064 0.000 1.001 158 T CB 2.482 71.368 68.868 0.029 0.000 1.436 158 T HN -0.721 7.582 8.240 0.104 0.000 0.500 159 V N 1.060 120.987 119.914 0.022 0.000 2.668 159 V HA 0.481 4.702 4.120 -0.053 -0.132 0.304 159 V C -1.804 174.307 176.094 0.028 0.000 1.071 159 V CA -1.004 61.289 62.300 -0.010 0.000 0.894 159 V CB 3.369 35.182 31.823 -0.017 0.000 1.008 159 V HN 0.100 8.309 8.190 0.032 0.000 0.425 160 D N 6.937 127.380 120.400 0.071 0.000 2.386 160 D HA 0.211 4.857 4.640 0.011 0.000 0.247 160 D C -1.060 175.295 176.300 0.091 0.000 1.336 160 D CA -0.763 53.272 54.000 0.058 0.000 0.976 160 D CB 2.164 43.004 40.800 0.067 0.000 1.257 160 D HN 0.144 8.586 8.370 0.120 0.000 0.570 161 D N 5.816 126.139 120.400 -0.129 0.000 2.525 161 D HA 0.232 4.799 4.640 -0.121 0.000 0.248 161 D C -0.824 175.487 176.300 0.019 0.000 1.000 161 D CA 1.228 55.121 54.000 -0.178 0.000 0.923 161 D CB 3.171 43.635 40.800 -0.561 0.000 1.101 161 D HN -0.032 8.162 8.370 -0.295 0.000 0.493 162 S N -5.742 109.905 115.700 -0.089 0.000 2.567 162 S HA 0.319 4.908 4.470 -0.028 -0.136 0.270 162 S C -2.431 172.064 174.600 -0.175 0.000 1.152 162 S CA -0.960 57.208 58.200 -0.053 0.000 0.835 162 S CB 2.866 66.065 63.200 -0.002 0.000 1.115 162 S HN -0.560 7.567 8.310 -0.304 0.000 0.459 163 A N -0.718 122.023 122.820 -0.132 0.000 2.608 163 A HA 1.042 5.480 4.320 -0.141 -0.203 0.292 163 A C -2.625 174.934 177.584 -0.042 0.000 1.066 163 A CA -0.633 51.331 52.037 -0.122 0.000 0.676 163 A CB 3.763 22.611 19.000 -0.253 0.000 1.277 163 A HN 0.106 8.074 8.150 -0.105 0.118 0.413 164 I N -5.203 115.338 120.570 -0.047 0.000 2.934 164 I HA 0.974 5.282 4.170 -0.031 -0.157 0.306 164 I C -2.422 173.765 176.117 0.117 0.000 1.110 164 I CA -2.381 58.855 61.300 -0.107 0.000 1.019 164 I CB 4.552 42.130 38.000 -0.703 0.000 1.227 164 I HN 0.316 8.487 8.210 -0.065 0.000 0.434 165 L N 2.299 123.535 121.223 0.021 0.000 2.410 165 L HA 0.836 5.368 4.340 -0.006 -0.195 0.270 165 L C -1.811 175.018 176.870 -0.069 0.000 0.983 165 L CA -1.189 53.615 54.840 -0.060 0.000 0.822 165 L CB 3.721 45.616 42.059 -0.274 0.000 1.285 165 L HN -0.058 8.143 8.230 -0.049 0.000 0.409 166 S N 5.661 121.322 115.700 -0.066 0.000 2.521 166 S HA 0.476 4.924 4.470 -0.036 0.000 0.295 166 S C -2.140 172.352 174.600 -0.180 0.000 1.098 166 S CA -0.697 57.475 58.200 -0.047 0.000 0.999 166 S CB 2.920 66.168 63.200 0.080 0.000 1.034 166 S HN 0.586 8.852 8.310 -0.074 0.000 0.483 167 V N 2.636 122.428 119.914 -0.204 0.000 2.588 167 V HA 0.872 5.049 4.120 -0.235 -0.198 0.304 167 V C -0.365 175.667 176.094 -0.104 0.000 1.042 167 V CA -2.054 60.111 62.300 -0.225 0.000 0.877 167 V CB 2.356 33.966 31.823 -0.355 0.000 0.996 167 V HN -0.092 8.000 8.190 -0.162 0.000 0.425 168 G N 5.340 114.092 108.800 -0.080 0.000 2.528 168 G HA2 -0.179 3.783 3.960 0.004 0.000 0.681 168 G HA3 -0.179 3.958 3.960 0.094 -0.121 0.681 168 G C -1.475 173.333 174.900 -0.153 0.000 1.340 168 G CA -0.449 44.639 45.100 -0.020 0.000 0.855 168 G HN 0.587 8.800 8.290 -0.127 0.000 0.649 169 G N -0.905 107.812 108.800 -0.138 0.000 2.414 169 G HA2 -0.175 3.825 3.960 -0.119 0.000 0.236 169 G HA3 -0.175 3.813 3.960 -0.234 -0.168 0.236 169 G C -0.382 174.455 174.900 -0.106 0.000 1.293 169 G CA 0.563 45.570 45.100 -0.156 0.000 0.869 169 G HN -0.156 7.970 8.290 -0.100 0.104 0.556 170 S N 0.337 115.980 115.700 -0.095 0.000 3.127 170 S HA -0.472 4.141 4.470 -0.044 -0.170 0.281 170 S C -0.499 174.062 174.600 -0.064 0.000 1.293 170 S CA 2.361 60.525 58.200 -0.061 0.000 1.156 170 S CB -0.820 62.351 63.200 -0.049 0.000 1.389 170 S HN -0.018 8.232 8.310 -0.101 0.000 0.672 171 I N -3.343 117.176 120.570 -0.085 0.000 3.623 171 I HA 0.007 4.137 4.170 -0.066 0.000 0.253 171 I C 0.621 176.708 176.117 -0.050 0.000 1.144 171 I CA 1.058 62.315 61.300 -0.072 0.000 1.461 171 I CB 1.095 39.051 38.000 -0.073 0.000 1.575 171 I HN -0.565 7.506 8.210 -0.117 0.069 0.445 172 A N -0.875 121.876 122.820 -0.115 0.000 1.854 172 A HA -0.172 4.164 4.320 0.027 0.000 0.214 172 A C -0.977 176.655 177.584 0.080 0.000 1.192 172 A CA 2.392 54.383 52.037 -0.076 0.000 0.611 172 A CB 1.069 19.918 19.000 -0.251 0.000 0.832 172 A HN -0.171 7.873 8.150 -0.178 0.000 0.442 173 F N -8.222 111.706 119.950 -0.037 0.000 2.978 173 F HA 0.168 4.680 4.527 -0.025 0.000 0.324 173 F C -2.506 173.275 175.800 -0.032 0.000 1.157 173 F CA -1.535 56.442 58.000 -0.037 0.000 0.879 173 F CB 0.490 39.460 39.000 -0.050 0.000 1.364 173 F HN -0.965 7.094 8.300 -0.402 0.000 0.465 174 E N 0.279 120.647 120.200 0.279 0.000 2.277 174 E HA 0.263 4.643 4.350 0.049 0.000 0.274 174 E C -0.254 176.501 176.600 0.258 0.000 1.022 174 E CA -1.303 55.189 56.400 0.154 0.000 0.853 174 E CB 1.667 31.433 29.700 0.110 0.000 1.086 174 E HN 0.325 8.897 8.360 0.354 0.000 0.397 175 C N 1.011 120.392 119.300 0.136 0.000 2.611 175 C HA -0.344 4.317 4.460 0.336 0.000 0.416 175 C C 1.655 176.776 174.990 0.218 0.000 1.366 175 C CA 0.974 60.117 59.018 0.209 0.000 1.761 175 C CB -1.022 26.770 27.740 0.086 0.000 2.619 175 C HN 0.630 8.899 8.230 0.064 0.000 0.606 176 C N -0.897 118.583 119.300 0.301 0.000 4.358 176 C HA -0.513 4.049 4.460 0.170 0.000 0.287 176 C C -1.479 173.612 174.990 0.169 0.000 1.414 176 C CA 1.340 60.458 59.018 0.167 0.000 1.949 176 C CB -2.000 25.751 27.740 0.017 0.000 1.274 176 C HN 0.488 8.998 8.230 0.467 0.000 0.793 177 A N -2.572 120.389 122.820 0.235 0.000 2.663 177 A HA 0.188 4.690 4.320 0.080 -0.134 0.273 177 A C -0.148 177.441 177.584 0.008 0.000 0.932 177 A CA -0.219 51.891 52.037 0.123 0.000 1.055 177 A CB 0.257 19.326 19.000 0.115 0.000 1.206 177 A HN -0.371 7.922 8.150 0.360 0.073 0.485 178 Q N 1.240 120.972 119.800 -0.113 0.000 2.181 178 Q HA -0.366 2.985 4.340 -1.648 0.000 0.205 178 Q C 1.212 176.944 176.000 -0.448 0.000 0.980 178 Q CA 3.595 58.974 55.803 -0.707 0.000 0.862 178 Q CB 0.002 28.494 28.738 -0.410 0.000 0.905 178 Q HN 0.340 8.651 8.270 0.068 0.000 0.429 179 E N -4.327 115.768 120.200 -0.175 0.000 2.489 179 E HA -0.014 4.264 4.350 -0.121 0.000 0.193 179 E C 0.264 176.827 176.600 -0.062 0.000 1.057 179 E CA -0.335 56.004 56.400 -0.102 0.000 0.866 179 E CB 0.162 29.839 29.700 -0.039 0.000 0.916 179 E HN -0.405 8.237 8.360 -0.103 -0.344 0.500 180 Q N 0.079 119.842 119.800 -0.062 0.000 2.471 180 Q HA 0.116 4.449 4.340 -0.011 0.000 0.223 180 Q C -1.457 174.534 176.000 -0.015 0.000 1.045 180 Q CA -1.506 54.284 55.803 -0.021 0.000 0.956 180 Q CB -0.903 27.832 28.738 -0.004 0.000 1.249 180 Q HN -0.878 7.287 8.270 -0.085 0.055 0.549 181 P HA 0.004 4.421 4.420 -0.006 0.000 0.268 181 P C -1.858 175.429 177.300 -0.022 0.000 1.208 181 P CA -0.789 62.301 63.100 -0.017 0.000 0.777 181 P CB -0.557 31.126 31.700 -0.029 0.000 0.875 182 P HA 0.040 4.496 4.420 0.060 0.000 0.269 182 P C -0.202 177.082 177.300 -0.027 0.000 1.209 182 P CA -0.299 62.805 63.100 0.006 0.000 0.776 182 P CB 0.616 32.297 31.700 -0.031 0.000 0.876 183 I N -3.510 117.068 120.570 0.013 0.000 3.021 183 I HA 0.155 4.257 4.170 -0.114 0.000 0.303 183 I C 0.244 176.302 176.117 -0.098 0.000 1.044 183 I CA -0.557 60.709 61.300 -0.055 0.000 1.266 183 I CB 1.043 39.037 38.000 -0.009 0.000 1.447 183 I HN 0.039 8.292 8.210 0.071 0.000 0.593 184 T N -3.929 110.498 114.554 -0.212 0.000 3.086 184 T HA -0.005 4.162 4.350 -0.305 0.000 0.250 184 T C 0.369 175.038 174.700 -0.052 0.000 1.074 184 T CA -0.419 61.506 62.100 -0.291 0.000 0.988 184 T CB 0.159 68.689 68.868 -0.562 0.000 0.988 184 T HN -0.121 8.001 8.240 -0.197 0.000 0.530 185 S N 1.437 117.107 115.700 -0.051 0.000 2.546 185 S HA -0.053 4.352 4.470 -0.108 0.000 0.290 185 S C 0.408 174.901 174.600 -0.179 0.000 1.290 185 S CA 0.119 58.262 58.200 -0.095 0.000 1.069 185 S CB 0.911 64.056 63.200 -0.093 0.000 0.846 185 S HN -0.427 7.809 8.310 -0.049 0.044 0.495 186 T N 0.735 115.088 114.554 -0.336 0.000 3.176 186 T HA 0.098 3.690 4.350 -1.262 0.000 0.263 186 T C -0.116 173.967 174.700 -1.028 0.000 1.021 186 T CA -1.131 60.465 62.100 -0.841 0.000 0.905 186 T CB -0.018 68.583 68.868 -0.445 0.000 1.057 186 T HN 0.165 8.255 8.240 -0.251 0.000 0.558 187 N N 3.911 122.273 118.700 -0.564 0.000 3.245 187 N HA -0.017 4.543 4.740 -0.300 0.000 0.296 187 N C -0.759 174.606 175.510 -0.241 0.000 1.254 187 N CA -1.365 51.485 53.050 -0.334 0.000 1.190 187 N CB -0.840 37.545 38.487 -0.170 0.000 1.460 187 N HN -0.661 7.411 8.380 -0.412 0.061 0.538 188 F N 1.430 121.373 119.950 -0.012 0.000 2.506 188 F HA -0.103 4.401 4.527 -0.038 0.000 0.351 188 F C 1.313 177.079 175.800 -0.058 0.000 1.136 188 F CA 0.208 58.190 58.000 -0.031 0.000 1.298 188 F CB -0.186 38.805 39.000 -0.014 0.000 1.145 188 F HN -0.507 7.416 8.300 -0.563 0.039 0.593 189 T N 2.251 116.861 114.554 0.093 0.000 2.809 189 T HA -0.155 4.190 4.350 -0.009 0.000 0.260 189 T C 0.051 174.730 174.700 -0.036 0.000 1.039 189 T CA 3.355 65.442 62.100 -0.021 0.000 1.141 189 T CB 0.751 69.534 68.868 -0.141 0.000 0.869 189 T HN 0.251 8.544 8.240 0.088 0.000 0.437 190 I N 0.073 120.595 120.570 -0.080 0.000 2.410 190 I HA 0.070 4.188 4.170 -0.086 0.000 0.286 190 I C -2.362 173.731 176.117 -0.040 0.000 1.009 190 I CA -0.704 60.516 61.300 -0.133 0.000 1.111 190 I CB 1.857 39.583 38.000 -0.456 0.000 1.262 190 I HN -0.292 7.864 8.210 -0.090 0.000 0.443 191 N N 7.646 126.361 118.700 0.025 0.000 2.469 191 N HA 0.075 4.722 4.740 -0.155 0.000 0.239 191 N C -0.915 174.601 175.510 0.009 0.000 1.053 191 N CA -0.428 52.618 53.050 -0.006 0.000 0.937 191 N CB 0.530 39.088 38.487 0.119 0.000 1.163 191 N HN 0.577 8.982 8.380 0.043 0.000 0.509 192 G N 3.534 112.347 108.800 0.022 0.000 3.805 192 G HA2 0.080 4.196 3.960 0.224 0.000 0.290 192 G HA3 0.080 4.098 3.960 0.098 0.000 0.290 192 G C -0.467 174.410 174.900 -0.039 0.000 1.077 192 G CA -1.235 43.921 45.100 0.094 0.000 0.852 192 G HN 0.049 8.322 8.290 -0.027 0.000 0.531 193 I N 2.135 122.627 120.570 -0.129 0.000 2.618 193 I HA -0.211 3.821 4.170 -0.230 0.000 0.284 193 I C -1.564 174.410 176.117 -0.237 0.000 1.146 193 I CA -0.592 60.579 61.300 -0.215 0.000 1.425 193 I CB 0.903 38.761 38.000 -0.238 0.000 1.383 193 I HN -0.458 7.910 8.210 -0.130 -0.236 0.562 194 K N 9.554 129.746 120.400 -0.347 0.000 2.436 194 K HA -0.044 4.198 4.320 -0.130 0.000 0.282 194 K C -1.781 174.520 176.600 -0.499 0.000 1.044 194 K CA -1.873 54.202 56.287 -0.352 0.000 1.028 194 K CB -0.659 31.532 32.500 -0.514 0.000 0.919 194 K HN -0.397 7.613 8.250 -0.401 0.000 0.474 195 P HA 0.048 4.288 4.420 -0.300 0.000 0.272 195 P C 0.235 177.397 177.300 -0.231 0.000 1.223 195 P CA -0.571 62.388 63.100 -0.234 0.000 0.784 195 P CB 1.209 32.877 31.700 -0.054 0.000 0.923 196 W N 1.453 122.717 121.300 -0.059 0.000 2.342 196 W HA -0.375 4.248 4.660 -0.061 0.000 0.297 196 W C -0.424 176.093 176.519 -0.004 0.000 1.213 196 W CA 1.842 59.162 57.345 -0.041 0.000 1.251 196 W CB 0.417 29.859 29.460 -0.031 0.000 1.136 196 W HN 0.223 8.338 8.180 -0.108 0.000 0.526 197 D N -2.138 118.386 120.400 0.206 0.000 2.473 197 D HA 0.188 4.910 4.640 0.136 0.000 0.226 197 D C 0.076 176.429 176.300 0.089 0.000 1.089 197 D CA -0.699 53.382 54.000 0.135 0.000 0.883 197 D CB -0.198 40.669 40.800 0.112 0.000 1.029 197 D HN -0.495 7.963 8.370 0.189 0.025 0.517 198 G N 1.174 110.024 108.800 0.083 0.000 3.102 198 G HA2 -0.005 4.009 3.960 0.090 0.000 0.264 198 G HA3 -0.005 4.114 3.960 0.052 -0.128 0.264 198 G C -1.030 173.901 174.900 0.052 0.000 0.788 198 G CA -0.036 45.106 45.100 0.070 0.000 2.029 198 G HN 0.319 8.665 8.290 0.093 0.000 0.608 199 S N 2.266 117.991 115.700 0.041 0.000 2.632 199 S HA 0.397 4.886 4.470 0.031 0.000 0.267 199 S C -1.576 173.041 174.600 0.028 0.000 1.276 199 S CA -0.307 57.913 58.200 0.033 0.000 0.998 199 S CB 0.898 64.117 63.200 0.031 0.000 0.953 199 S HN -0.649 7.633 8.310 0.041 0.053 0.547 200 L N -1.108 120.131 121.223 0.026 0.000 2.059 200 L HA 0.102 4.458 4.340 0.027 0.000 0.317 200 L C -2.366 174.520 176.870 0.027 0.000 0.541 200 L CA 0.336 55.192 54.840 0.027 0.000 1.202 200 L CB -1.998 40.078 42.059 0.028 0.000 1.697 200 L HN -0.043 8.201 8.230 0.025 0.000 0.335 201 P HA -0.159 4.293 4.420 0.052 0.000 0.245 201 P C -1.532 175.790 177.300 0.036 0.000 1.347 201 P CA 0.305 63.430 63.100 0.043 0.000 1.314 201 P CB -0.973 30.756 31.700 0.048 0.000 1.679 202 D N 2.105 122.526 120.400 0.034 0.000 2.393 202 D HA -0.174 4.483 4.640 0.028 0.000 0.246 202 D C -0.085 176.246 176.300 0.051 0.000 1.275 202 D CA 0.061 54.081 54.000 0.033 0.000 0.979 202 D CB 1.045 41.860 40.800 0.026 0.000 1.101 202 D HN -0.496 7.893 8.370 0.032 0.000 0.505 203 N N -2.263 116.466 118.700 0.048 0.000 2.359 203 N HA -0.212 4.856 4.740 0.082 -0.279 0.261 203 N C -0.670 174.876 175.510 0.060 0.000 1.267 203 N CA 1.188 54.275 53.050 0.061 0.000 0.864 203 N CB 0.034 38.545 38.487 0.040 0.000 1.063 203 N HN 0.286 8.688 8.380 0.037 0.000 0.474 204 I N 5.970 126.588 120.570 0.080 0.000 2.509 204 I HA 0.218 4.409 4.170 0.035 0.000 0.293 204 I C -1.132 174.978 176.117 -0.011 0.000 1.020 204 I CA -0.627 60.702 61.300 0.048 0.000 1.088 204 I CB 2.575 40.629 38.000 0.090 0.000 1.267 204 I HN 0.361 8.639 8.210 0.114 0.000 0.430 205 T N 1.442 115.979 114.554 -0.029 0.000 2.910 205 T HA 0.933 5.421 4.350 -0.077 -0.184 0.287 205 T C -0.820 173.849 174.700 -0.053 0.000 1.050 205 T CA -2.857 59.212 62.100 -0.050 0.000 1.011 205 T CB 3.698 72.552 68.868 -0.024 0.000 1.195 205 T HN -0.071 8.161 8.240 -0.013 0.000 0.540 206 G N -1.372 107.409 108.800 -0.031 0.000 2.742 206 G HA2 0.287 4.420 3.960 -0.022 0.000 0.296 206 G HA3 0.287 4.246 3.960 -0.002 0.000 0.296 206 G C -2.844 172.089 174.900 0.055 0.000 1.436 206 G CA 0.063 45.162 45.100 -0.003 0.000 0.928 206 G HN 0.074 8.353 8.290 -0.017 0.000 0.520 207 T N 2.899 117.483 114.554 0.049 0.000 2.885 207 T HA 0.928 5.532 4.350 0.088 -0.200 0.285 207 T C -0.496 174.252 174.700 0.080 0.000 1.019 207 T CA -0.994 61.147 62.100 0.067 0.000 1.010 207 T CB 2.605 71.493 68.868 0.033 0.000 1.022 207 T HN 0.049 8.309 8.240 0.033 0.000 0.466 208 V N 3.126 123.101 119.914 0.103 0.000 2.760 208 V HA 0.257 4.420 4.120 0.070 0.000 0.309 208 V C -2.169 173.969 176.094 0.072 0.000 1.077 208 V CA -1.122 61.219 62.300 0.068 0.000 0.910 208 V CB 3.885 35.708 31.823 -0.001 0.000 1.008 208 V HN 0.534 8.796 8.190 0.119 0.000 0.424 209 Y N 8.034 128.320 120.300 -0.022 0.000 2.327 209 Y HA 0.148 4.838 4.550 -0.025 -0.155 0.336 209 Y C -1.493 174.316 175.900 -0.151 0.000 1.035 209 Y CA -0.191 57.874 58.100 -0.058 0.000 1.165 209 Y CB 1.350 39.776 38.460 -0.056 0.000 1.181 209 Y HN 0.520 8.925 8.280 0.208 0.000 0.494 210 M N 3.730 123.062 119.600 -0.447 0.000 2.530 210 M HA 0.303 4.645 4.480 -0.230 0.000 0.307 210 M C -1.830 174.272 176.300 -0.329 0.000 1.161 210 M CA -1.314 53.743 55.300 -0.405 0.000 0.903 210 M CB 4.973 37.087 32.600 -0.810 0.000 1.711 210 M HN 0.254 8.174 8.290 -0.617 0.000 0.451 211 Y N -0.286 120.199 120.300 0.309 0.000 2.330 211 Y HA 0.189 4.914 4.550 0.292 0.000 0.336 211 Y C -0.170 176.006 175.900 0.460 0.000 1.036 211 Y CA -1.342 56.984 58.100 0.376 0.000 1.125 211 Y CB 1.251 39.932 38.460 0.367 0.000 1.194 211 Y HN 0.057 8.722 8.280 0.643 0.000 0.469 212 A N 3.189 126.253 122.820 0.406 0.000 2.540 212 A HA -0.356 4.283 4.320 0.236 -0.178 0.239 212 A C 0.899 178.612 177.584 0.214 0.000 1.061 212 A CA 1.040 53.239 52.037 0.270 0.000 0.758 212 A CB -0.096 19.013 19.000 0.181 0.000 0.991 212 A HN 0.198 8.559 8.150 0.351 0.000 0.502 213 G N 3.266 112.100 108.800 0.056 0.000 2.199 213 G HA2 -0.430 3.429 3.960 -0.168 0.000 0.254 213 G HA3 -0.430 3.409 3.960 -0.202 0.000 0.254 213 G C -1.074 173.649 174.900 -0.296 0.000 0.982 213 G CA -0.069 44.938 45.100 -0.154 0.000 0.632 213 G HN 0.074 8.395 8.290 0.051 0.000 0.529 214 Y N -0.523 119.775 120.300 -0.003 0.000 2.335 214 Y HA -0.033 4.484 4.550 -0.056 0.000 0.323 214 Y C -0.569 175.258 175.900 -0.121 0.000 1.224 214 Y CA 0.721 58.787 58.100 -0.057 0.000 1.241 214 Y CB 1.557 39.979 38.460 -0.063 0.000 1.235 214 Y HN -1.013 7.408 8.280 0.345 0.066 0.492 215 Y N -0.582 119.800 120.300 0.137 0.000 2.367 215 Y HA 0.136 5.036 4.550 0.363 -0.132 0.342 215 Y C -0.577 175.458 175.900 0.225 0.000 0.979 215 Y CA -0.669 57.574 58.100 0.238 0.000 1.161 215 Y CB 0.561 39.070 38.460 0.082 0.000 1.155 215 Y HN 0.189 8.638 8.280 0.282 0.000 0.503 216 Y N 4.061 124.633 120.300 0.453 0.000 2.353 216 Y HA 0.315 4.987 4.550 0.203 0.000 0.340 216 Y C -1.736 174.265 175.900 0.168 0.000 0.972 216 Y CA -1.928 56.331 58.100 0.265 0.000 1.157 216 Y CB 1.418 39.989 38.460 0.185 0.000 1.157 216 Y HN 0.655 9.393 8.280 0.764 0.000 0.495 217 P HA -0.099 3.952 4.420 -0.839 -0.135 0.264 217 P C -1.782 175.321 177.300 -0.330 0.000 1.183 217 P CA 0.678 63.367 63.100 -0.686 0.000 0.763 217 P CB 0.276 31.137 31.700 -1.398 0.000 0.807 218 L N 3.269 124.398 121.223 -0.156 0.000 2.438 218 L HA 0.831 5.258 4.340 -0.163 -0.185 0.270 218 L C -2.517 174.391 176.870 0.064 0.000 0.972 218 L CA -0.904 53.897 54.840 -0.065 0.000 0.831 218 L CB 4.620 46.681 42.059 0.002 0.000 1.273 218 L HN 0.469 8.670 8.230 -0.048 0.000 0.405 219 K N 6.040 126.445 120.400 0.009 0.000 2.443 219 K HA 0.892 5.498 4.320 0.081 -0.238 0.252 219 K C -2.183 174.416 176.600 -0.002 0.000 0.933 219 K CA -1.765 54.561 56.287 0.065 0.000 0.792 219 K CB 3.957 36.545 32.500 0.148 0.000 1.185 219 K HN 0.521 8.734 8.250 -0.062 0.000 0.425 220 V N 6.424 126.328 119.914 -0.017 0.000 2.487 220 V HA 0.698 5.037 4.120 0.039 -0.195 0.298 220 V C -1.653 174.400 176.094 -0.068 0.000 1.028 220 V CA -1.623 60.678 62.300 0.000 0.000 0.860 220 V CB 2.724 34.562 31.823 0.025 0.000 0.991 220 V HN 0.338 8.510 8.190 -0.030 0.000 0.427 221 V N 7.710 127.571 119.914 -0.088 0.000 2.540 221 V HA 0.762 5.126 4.120 -0.284 -0.415 0.302 221 V C -1.991 174.026 176.094 -0.128 0.000 1.035 221 V CA -1.843 60.320 62.300 -0.229 0.000 0.873 221 V CB 2.585 34.175 31.823 -0.387 0.000 0.992 221 V HN 0.224 8.386 8.190 -0.046 0.000 0.428 222 Y N 8.762 128.918 120.300 -0.240 0.000 2.442 222 Y HA 0.683 5.274 4.550 -0.203 -0.162 0.344 222 Y C -2.487 173.317 175.900 -0.159 0.000 0.976 222 Y CA -2.316 55.668 58.100 -0.194 0.000 1.040 222 Y CB 4.140 42.498 38.460 -0.170 0.000 1.228 222 Y HN 0.669 8.882 8.280 -0.113 0.000 0.451 223 S N 6.235 121.244 115.700 -1.151 0.000 2.536 223 S HA 0.674 4.862 4.470 -0.786 -0.191 0.287 223 S C -2.027 171.858 174.600 -1.192 0.000 1.101 223 S CA -1.357 56.256 58.200 -0.977 0.000 0.950 223 S CB 3.273 66.109 63.200 -0.608 0.000 1.056 223 S HN 0.592 8.230 8.310 -1.121 0.000 0.481 224 N N 1.445 119.639 118.700 -0.843 0.000 2.284 224 N HA 0.293 4.851 4.740 -0.511 -0.124 0.300 224 N C -1.476 173.702 175.510 -0.554 0.000 1.047 224 N CA -0.994 51.742 53.050 -0.522 0.000 0.821 224 N CB 2.689 41.082 38.487 -0.157 0.000 1.337 224 N HN 0.027 7.992 8.380 -0.692 0.000 0.482 225 A N 4.965 127.505 122.820 -0.467 0.000 2.085 225 A HA 0.244 4.509 4.320 -0.091 0.000 0.208 225 A C -2.010 175.516 177.584 -0.097 0.000 1.191 225 A CA 0.330 52.230 52.037 -0.228 0.000 0.799 225 A CB 2.301 21.175 19.000 -0.210 0.000 0.877 225 A HN 0.378 8.820 8.150 -0.463 -0.570 0.473 226 V N -2.836 117.006 119.914 -0.119 0.000 3.147 226 V HA 0.145 4.283 4.120 -0.058 -0.052 0.299 226 V C -1.407 174.674 176.094 -0.021 0.000 1.302 226 V CA -1.694 60.568 62.300 -0.063 0.000 1.015 226 V CB 2.887 34.674 31.823 -0.060 0.000 1.086 226 V HN -0.943 7.432 8.190 -0.152 -0.276 0.437 227 S N 2.293 117.977 115.700 -0.025 0.000 4.046 227 S HA -0.392 3.986 4.470 -0.153 0.000 0.572 227 S C -0.017 174.587 174.600 0.007 0.000 2.022 227 S CA 1.319 59.449 58.200 -0.117 0.000 4.201 227 S CB -0.695 62.366 63.200 -0.231 0.000 0.438 227 S HN 0.223 8.514 8.310 -0.030 0.000 0.618 228 W N 2.476 123.781 121.300 0.008 0.000 2.148 228 W HA -0.069 4.706 4.660 -0.018 -0.126 0.347 228 W C 0.418 177.010 176.519 0.121 0.000 1.288 228 W CA 1.025 58.381 57.345 0.017 0.000 1.252 228 W CB 0.841 30.262 29.460 -0.065 0.000 1.156 228 W HN -0.155 8.242 8.180 0.362 0.000 0.580 229 G N -0.786 108.260 108.800 0.411 0.000 2.643 229 G HA2 0.581 4.777 3.960 0.394 0.000 0.305 229 G HA3 0.581 4.908 3.960 0.324 -0.173 0.305 229 G C -2.780 172.245 174.900 0.209 0.000 1.387 229 G CA -0.050 45.258 45.100 0.347 0.000 0.982 229 G HN 0.061 8.600 8.290 0.414 0.000 0.501 230 T N 5.297 119.934 114.554 0.138 0.000 3.032 230 T HA 0.520 5.040 4.350 -0.016 -0.179 0.312 230 T C -2.183 172.476 174.700 -0.069 0.000 1.078 230 T CA 0.157 62.267 62.100 0.016 0.000 1.028 230 T CB 3.608 72.498 68.868 0.037 0.000 1.091 230 T HN 0.373 8.739 8.240 0.211 0.000 0.457 231 L N 5.637 126.759 121.223 -0.168 0.000 2.564 231 L HA 0.712 5.079 4.340 -0.212 -0.154 0.259 231 L C -3.114 173.698 176.870 -0.097 0.000 1.101 231 L CA -1.782 52.918 54.840 -0.233 0.000 0.900 231 L CB 4.178 45.966 42.059 -0.451 0.000 1.110 231 L HN 0.715 8.760 8.230 -0.149 0.095 0.468 232 P HA 0.369 4.838 4.420 0.082 0.000 0.295 232 P C -1.722 175.699 177.300 0.202 0.000 1.354 232 P CA -0.898 62.256 63.100 0.089 0.000 0.814 232 P CB -0.171 31.572 31.700 0.071 0.000 0.935 233 I N 6.636 127.367 120.570 0.269 0.000 2.359 233 I HA 0.643 5.274 4.170 0.459 -0.186 0.294 233 I C -0.750 175.629 176.117 0.437 0.000 0.987 233 I CA -1.054 60.487 61.300 0.402 0.000 1.225 233 I CB 2.001 40.239 38.000 0.397 0.000 1.366 233 I HN 0.255 8.614 8.210 0.247 0.000 0.466 234 S N 4.507 120.434 115.700 0.378 0.000 2.638 234 S HA 1.047 5.921 4.470 0.481 -0.116 0.274 234 S C -2.009 172.718 174.600 0.213 0.000 1.157 234 S CA -1.660 56.736 58.200 0.327 0.000 0.826 234 S CB 4.008 67.277 63.200 0.116 0.000 1.139 234 S HN 0.406 8.908 8.310 0.319 0.000 0.474 235 V N -0.223 119.740 119.914 0.083 0.000 2.808 235 V HA 0.574 4.684 4.120 -0.348 -0.198 0.308 235 V C -2.566 173.406 176.094 -0.204 0.000 1.099 235 V CA -2.594 59.563 62.300 -0.238 0.000 0.920 235 V CB 4.436 35.953 31.823 -0.510 0.000 1.014 235 V HN 0.561 8.803 8.190 0.087 0.000 0.425 236 E N 8.347 128.394 120.200 -0.255 0.000 2.174 236 E HA 0.589 5.006 4.350 -0.181 -0.176 0.282 236 E C -0.747 175.658 176.600 -0.325 0.000 0.992 236 E CA -2.027 54.240 56.400 -0.222 0.000 0.803 236 E CB 2.204 31.797 29.700 -0.178 0.000 1.090 236 E HN 0.143 8.326 8.360 -0.296 0.000 0.396 237 L N 6.112 127.145 121.223 -0.317 0.000 2.468 237 L HA 0.347 4.174 4.340 -0.854 0.000 0.254 237 L C -0.578 175.978 176.870 -0.523 0.000 1.171 237 L CA -1.665 52.867 54.840 -0.514 0.000 0.809 237 L CB -0.827 41.085 42.059 -0.244 0.000 1.155 237 L HN 0.445 8.536 8.230 -0.232 0.000 0.473 238 P HA -0.127 4.153 4.420 -0.397 -0.098 0.218 238 P C -0.196 176.968 177.300 -0.228 0.000 1.148 238 P CA 1.941 64.792 63.100 -0.415 0.000 0.822 238 P CB 0.372 31.831 31.700 -0.401 0.000 0.784 239 D N -5.503 114.787 120.400 -0.184 0.000 2.349 239 D HA -0.114 4.471 4.640 -0.091 0.000 0.224 239 D C 1.158 177.400 176.300 -0.097 0.000 1.029 239 D CA -0.336 53.601 54.000 -0.106 0.000 0.879 239 D CB -0.485 40.276 40.800 -0.065 0.000 0.906 239 D HN -0.514 8.071 8.370 -0.201 -0.336 0.528 240 G N -0.708 108.016 108.800 -0.127 0.000 2.195 240 G HA2 -0.411 3.500 3.960 -0.082 0.000 0.246 240 G HA3 -0.411 3.638 3.960 -0.115 -0.158 0.246 240 G C -0.127 174.718 174.900 -0.091 0.000 0.984 240 G CA 0.217 45.256 45.100 -0.103 0.000 0.633 240 G HN 0.013 8.030 8.290 -0.168 0.172 0.525 241 T N -0.827 113.675 114.554 -0.087 0.000 2.882 241 T HA 0.038 4.352 4.350 -0.059 0.000 0.287 241 T C -0.797 173.848 174.700 -0.091 0.000 1.014 241 T CA -0.962 61.097 62.100 -0.069 0.000 1.049 241 T CB 1.362 70.206 68.868 -0.041 0.000 1.001 241 T HN -0.362 8.078 8.240 -0.089 -0.254 0.525 242 T N 3.360 117.866 114.554 -0.080 0.000 2.829 242 T HA 0.591 5.053 4.350 -0.114 -0.181 0.280 242 T C -0.288 174.347 174.700 -0.108 0.000 0.999 242 T CA -0.126 61.917 62.100 -0.095 0.000 0.983 242 T CB 2.253 71.077 68.868 -0.073 0.000 0.968 242 T HN -0.065 8.136 8.240 -0.065 0.000 0.446 243 V N 7.101 126.920 119.914 -0.159 0.000 2.370 243 V HA 0.187 4.176 4.120 -0.219 0.000 0.283 243 V C -1.755 174.158 176.094 -0.302 0.000 1.023 243 V CA -0.785 61.355 62.300 -0.266 0.000 0.857 243 V CB 1.448 33.016 31.823 -0.425 0.000 0.985 243 V HN 0.825 8.922 8.190 -0.155 0.000 0.443 244 S N 7.204 122.733 115.700 -0.285 0.000 2.500 244 S HA 0.418 4.952 4.470 -0.107 -0.128 0.301 244 S C -0.098 174.358 174.600 -0.240 0.000 1.092 244 S CA -0.474 57.616 58.200 -0.183 0.000 1.030 244 S CB 2.484 65.650 63.200 -0.057 0.000 1.031 244 S HN 0.325 8.487 8.310 -0.247 0.000 0.483 245 D N 1.753 122.104 120.400 -0.080 0.000 4.365 245 D HA -0.502 4.272 4.640 0.224 0.000 0.198 245 D C -0.687 175.636 176.300 0.038 0.000 0.997 245 D CA 3.590 57.629 54.000 0.065 0.000 2.182 245 D CB -1.007 39.815 40.800 0.036 0.000 1.147 245 D HN 0.717 9.137 8.370 0.083 0.000 0.409 246 N N 3.202 121.818 118.700 -0.140 0.000 2.462 246 N HA 0.100 5.098 4.740 0.129 -0.182 0.242 246 N C -0.469 174.930 175.510 -0.186 0.000 1.010 246 N CA -0.438 52.591 53.050 -0.034 0.000 0.939 246 N CB -0.085 38.405 38.487 0.004 0.000 1.127 246 N HN -0.200 8.034 8.380 -0.178 0.039 0.509 247 F N 3.910 123.948 119.950 0.147 0.000 2.798 247 F HA -0.028 4.663 4.527 0.273 0.000 0.291 247 F C -0.872 175.041 175.800 0.189 0.000 1.174 247 F CA -0.847 57.285 58.000 0.220 0.000 1.392 247 F CB -0.286 38.849 39.000 0.225 0.000 0.966 247 F HN 0.587 9.158 8.300 0.451 0.000 0.509 248 E N 0.640 120.951 120.200 0.185 0.000 2.415 248 E HA -0.342 4.014 4.350 0.010 0.000 0.263 248 E C 0.921 177.539 176.600 0.031 0.000 0.995 248 E CA 1.918 58.360 56.400 0.069 0.000 0.915 248 E CB 0.207 29.932 29.700 0.042 0.000 0.951 248 E HN -0.601 8.249 8.360 0.137 -0.409 0.449 249 G N 5.480 114.214 108.800 -0.110 0.000 2.217 249 G HA2 -0.340 3.461 3.960 -0.265 0.000 0.246 249 G HA3 -0.340 3.604 3.960 -0.027 0.000 0.246 249 G C -0.666 174.036 174.900 -0.331 0.000 0.990 249 G CA 0.522 45.511 45.100 -0.185 0.000 0.627 249 G HN 0.960 9.142 8.290 -0.179 0.000 0.522 250 Y N -3.483 116.774 120.300 -0.072 0.000 2.535 250 Y HA 0.177 4.617 4.550 -0.183 0.000 0.264 250 Y C -0.994 174.793 175.900 -0.187 0.000 1.087 250 Y CA 0.522 58.523 58.100 -0.165 0.000 1.285 250 Y CB 2.822 41.208 38.460 -0.124 0.000 1.200 250 Y HN -0.280 7.956 8.280 0.042 0.069 0.514 251 V N -4.886 114.945 119.914 -0.138 0.000 2.604 251 V HA 0.955 5.404 4.120 0.169 -0.227 0.305 251 V C -1.457 174.342 176.094 -0.491 0.000 1.043 251 V CA -3.317 58.947 62.300 -0.060 0.000 0.888 251 V CB 1.963 33.853 31.823 0.112 0.000 0.995 251 V HN -0.712 7.349 8.190 -0.214 0.000 0.429 252 Y N 3.474 123.918 120.300 0.240 0.000 2.615 252 Y HA 0.600 5.378 4.550 0.043 -0.202 0.341 252 Y C -1.038 174.963 175.900 0.168 0.000 1.089 252 Y CA -1.429 56.742 58.100 0.119 0.000 1.049 252 Y CB 4.798 43.295 38.460 0.062 0.000 1.296 252 Y HN 0.282 8.798 8.280 0.393 0.000 0.470 253 S N -0.934 114.842 115.700 0.127 0.000 2.566 253 S HA 0.658 5.502 4.470 0.396 -0.136 0.298 253 S C -1.749 172.754 174.600 -0.161 0.000 1.083 253 S CA -1.146 57.141 58.200 0.144 0.000 0.978 253 S CB 2.688 65.932 63.200 0.074 0.000 1.073 253 S HN 0.565 8.891 8.310 0.027 0.000 0.491 254 F N 0.221 120.270 119.950 0.166 0.000 2.556 254 F HA 0.284 4.808 4.527 -0.006 0.000 0.314 254 F C -0.694 175.141 175.800 0.058 0.000 1.106 254 F CA -0.677 57.342 58.000 0.031 0.000 0.911 254 F CB 3.679 42.608 39.000 -0.117 0.000 1.190 254 F HN 0.071 8.956 8.300 0.530 -0.267 0.448 255 D N 2.317 122.830 120.400 0.189 0.000 2.449 255 D HA -0.172 4.631 4.640 0.091 -0.109 0.236 255 D C 0.565 176.936 176.300 0.119 0.000 1.149 255 D CA 0.966 55.035 54.000 0.116 0.000 0.878 255 D CB 0.396 41.240 40.800 0.073 0.000 1.198 255 D HN 0.304 8.768 8.370 0.157 0.000 0.446 256 D N 1.336 121.783 120.400 0.077 0.000 2.506 256 D HA -0.226 4.616 4.640 0.084 -0.152 0.234 256 D C -0.071 176.258 176.300 0.047 0.000 1.143 256 D CA 1.639 55.678 54.000 0.064 0.000 0.871 256 D CB 0.409 41.231 40.800 0.037 0.000 1.190 256 D HN -0.020 8.729 8.370 0.058 -0.344 0.459 257 D N 2.031 122.453 120.400 0.035 0.000 2.472 257 D HA 0.119 4.768 4.640 0.014 0.000 0.248 257 D C 0.575 176.880 176.300 0.009 0.000 1.271 257 D CA -1.045 52.962 54.000 0.012 0.000 0.888 257 D CB 0.586 41.380 40.800 -0.009 0.000 1.337 257 D HN 0.336 8.732 8.370 0.043 0.000 0.526 258 L N 2.943 124.175 121.223 0.014 0.000 2.622 258 L HA -0.043 4.308 4.340 0.018 0.000 0.233 258 L C 0.489 177.361 176.870 0.004 0.000 1.156 258 L CA 0.804 55.652 54.840 0.013 0.000 0.866 258 L CB -0.086 41.982 42.059 0.015 0.000 0.980 258 L HN 0.180 8.419 8.230 0.016 0.000 0.448 259 S N -3.718 111.981 115.700 -0.001 0.000 2.557 259 S HA 0.018 4.486 4.470 -0.004 0.000 0.223 259 S C -0.916 173.677 174.600 -0.012 0.000 0.969 259 S CA -0.296 57.901 58.200 -0.005 0.000 0.927 259 S CB 0.675 63.873 63.200 -0.004 0.000 0.806 259 S HN -0.707 7.787 8.310 -0.001 -0.185 0.489 260 Q N 3.979 123.767 119.800 -0.019 0.000 2.402 260 Q HA -0.038 4.285 4.340 -0.029 0.000 0.238 260 Q C -0.011 175.971 176.000 -0.028 0.000 1.126 260 Q CA -0.031 55.752 55.803 -0.032 0.000 0.904 260 Q CB -0.562 28.142 28.738 -0.056 0.000 1.357 260 Q HN -0.802 7.415 8.270 -0.018 0.042 0.491 261 S N 6.953 122.640 115.700 -0.021 0.000 2.383 261 S HA -0.330 4.132 4.470 -0.013 0.000 0.229 261 S C 0.421 175.010 174.600 -0.019 0.000 1.030 261 S CA 2.900 61.090 58.200 -0.016 0.000 1.002 261 S CB -0.083 63.111 63.200 -0.010 0.000 0.829 261 S HN 0.307 8.606 8.310 -0.019 0.000 0.467 262 N N -0.601 118.086 118.700 -0.023 0.000 2.314 262 N HA -0.044 4.687 4.740 -0.015 0.000 0.200 262 N C 0.308 175.791 175.510 -0.044 0.000 1.135 262 N CA -0.138 52.898 53.050 -0.022 0.000 0.835 262 N CB -1.819 36.664 38.487 -0.007 0.000 0.989 262 N HN 0.018 8.365 8.380 -0.025 0.018 0.478 263 C N -3.647 115.621 119.300 -0.054 0.000 2.450 263 C HA 0.018 4.417 4.460 -0.102 0.000 0.279 263 C C -0.370 174.577 174.990 -0.071 0.000 1.335 263 C CA 0.305 59.276 59.018 -0.079 0.000 1.749 263 C CB 0.508 28.201 27.740 -0.077 0.000 1.963 263 C HN -0.752 7.385 8.230 -0.045 0.067 0.501 264 T N 2.877 117.398 114.554 -0.055 0.000 2.817 264 T HA -0.030 4.284 4.350 -0.060 0.000 0.293 264 T C -0.752 173.890 174.700 -0.098 0.000 0.964 264 T CA 2.057 64.120 62.100 -0.062 0.000 1.085 264 T CB 0.720 69.562 68.868 -0.042 0.000 0.921 264 T HN -0.447 7.766 8.240 -0.044 0.000 0.502 265 I N 6.508 126.995 120.570 -0.139 0.000 2.479 265 I HA 0.444 4.494 4.170 -0.200 0.000 0.279 265 I C -1.884 174.130 176.117 -0.172 0.000 1.102 265 I CA -4.727 56.447 61.300 -0.210 0.000 1.196 265 I CB -1.274 36.529 38.000 -0.328 0.000 1.427 265 I HN 0.594 8.723 8.210 -0.134 0.000 0.503 266 P HA -0.099 4.270 4.420 -0.084 0.000 0.216 266 P C -0.628 176.616 177.300 -0.094 0.000 1.150 266 P CA 2.246 65.294 63.100 -0.086 0.000 0.837 266 P CB 0.415 32.083 31.700 -0.053 0.000 0.786 267 D N -4.851 115.488 120.400 -0.102 0.000 2.434 267 D HA 0.283 4.869 4.640 -0.090 0.000 0.275 267 D C -1.593 174.593 176.300 -0.190 0.000 1.172 267 D CA -3.184 50.753 54.000 -0.105 0.000 0.916 267 D CB -0.676 40.085 40.800 -0.064 0.000 1.041 267 D HN -0.183 8.131 8.370 -0.093 0.000 0.501 268 P HA -0.041 3.988 4.420 -0.652 0.000 0.228 268 P C 0.688 177.520 177.300 -0.779 0.000 1.151 268 P CA 1.046 63.772 63.100 -0.623 0.000 0.770 268 P CB 0.390 31.652 31.700 -0.730 0.000 0.786 269 S N -1.697 113.632 115.700 -0.618 0.000 2.515 269 S HA -0.144 3.485 4.470 -1.402 0.000 0.231 269 S C 0.932 175.330 174.600 -0.337 0.000 0.987 269 S CA 2.629 60.414 58.200 -0.692 0.000 0.936 269 S CB 0.244 63.311 63.200 -0.221 0.000 0.766 269 S HN 0.510 9.161 8.310 -0.361 -0.558 0.528 270 I N -6.933 113.513 120.570 -0.208 0.000 4.403 270 I HA 0.270 4.383 4.170 -0.095 0.000 0.331 270 I C -0.246 175.844 176.117 -0.045 0.000 1.327 270 I CA -0.893 60.349 61.300 -0.096 0.000 1.175 270 I CB 1.481 39.446 38.000 -0.058 0.000 1.165 270 I HN -0.417 7.703 8.210 -0.200 -0.029 0.413 271 H N 0.000 118.999 119.070 -0.118 0.000 2.539 271 H HA 0.000 4.544 4.556 -0.020 0.000 0.296 271 H CA 0.000 56.034 56.048 -0.023 0.000 1.023 271 H CB 0.000 29.754 29.762 -0.013 0.000 1.292 271 H HN 0.000 8.137 8.280 -0.001 0.142 0.496