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 2e7y_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNIIGFSKAL FSTWIYYSPE RILFDAGEGV STTLGSKVYA FKYVFLTHGH DATA SEQUENCE VDHIAGLWGV VNIRNNXXXX XEKPLDVFYP EGNRAVEEYT EFIKRANPDL DATA SEQUENCE RFSFNVHPLK EGERVFLRNA GGFKRYVQPF RTXXXXXXVS FGYHIFEVRR DATA SEQUENCE KLKKEFQGLD SKEISRLVKE KGRDFVTEEY HKKVLTISGD SLALDPEEIR DATA SEQUENCE GTELLIHECT FLDARDRRYK NHAAIDEVME SVKAAGVKKV ILYHISTRYI DATA SEQUENCE RQLKSVIKKY REEMPDVEIL YMDPRKVFEM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.624 32.600 0.040 0.000 1.302 2 N N 1.573 120.263 118.700 -0.017 0.000 2.409 2 N HA 0.241 4.982 4.740 0.002 0.000 0.179 2 N C -0.037 175.457 175.510 -0.027 0.000 1.032 2 N CA 0.950 53.953 53.050 -0.078 0.000 0.898 2 N CB 1.101 39.564 38.487 -0.041 0.000 0.971 2 N HN 0.589 8.969 8.380 -0.000 0.000 0.441 3 I N 1.165 121.788 120.570 0.089 0.000 2.548 3 I HA 0.345 4.516 4.170 0.002 0.000 0.287 3 I C -1.087 175.171 176.117 0.234 0.000 1.103 3 I CA -0.400 61.021 61.300 0.201 0.000 1.049 3 I CB 2.342 40.520 38.000 0.297 0.000 1.232 3 I HN -0.270 7.940 8.210 -0.000 0.000 0.429 4 I N 5.228 125.999 120.570 0.336 0.000 2.447 4 I HA 0.734 4.905 4.170 0.002 0.000 0.287 4 I C 0.181 176.509 176.117 0.352 0.000 1.023 4 I CA -0.290 61.223 61.300 0.356 0.000 1.083 4 I CB 2.031 40.320 38.000 0.481 0.000 1.245 4 I HN 0.685 8.895 8.210 -0.000 0.000 0.434 5 G N 4.930 113.763 108.800 0.055 0.000 2.687 5 G HA2 0.738 4.699 3.960 0.002 0.000 0.291 5 G HA3 0.738 4.699 3.960 0.002 0.000 0.291 5 G C -2.203 172.293 174.900 -0.673 0.000 1.420 5 G CA -0.486 44.325 45.100 -0.482 0.000 0.796 5 G HN 0.364 8.654 8.290 -0.000 0.000 0.485 6 F N 0.065 119.328 119.950 -1.145 0.000 2.628 6 F HA 0.754 5.282 4.527 0.001 0.000 0.309 6 F C -0.760 174.777 175.800 -0.438 0.000 1.108 6 F CA -0.632 56.952 58.000 -0.693 0.000 0.971 6 F CB 2.373 40.979 39.000 -0.657 0.000 1.279 6 F HN 0.712 9.012 8.300 -0.000 0.000 0.441 7 S N 5.383 120.311 115.700 -1.287 0.000 2.562 7 S HA 0.524 4.995 4.470 0.002 0.000 0.274 7 S C -2.000 172.128 174.600 -0.788 0.000 1.160 7 S CA -0.682 57.111 58.200 -0.677 0.000 0.933 7 S CB 1.220 64.346 63.200 -0.124 0.000 1.100 7 S HN 0.862 9.172 8.310 -0.000 0.000 0.468 8 K N 3.544 123.692 120.400 -0.421 0.000 2.652 8 K HA 0.622 4.943 4.320 0.002 0.000 0.249 8 K C -0.296 176.189 176.600 -0.192 0.000 0.986 8 K CA -0.573 55.562 56.287 -0.253 0.000 0.867 8 K CB 1.357 33.830 32.500 -0.045 0.000 1.201 8 K HN 0.857 9.107 8.250 -0.000 0.000 0.450 9 A N 4.226 126.794 122.820 -0.421 0.000 2.591 9 A HA 0.062 4.383 4.320 0.002 0.000 0.244 9 A C 1.126 178.612 177.584 -0.162 0.000 1.031 9 A CA 0.924 52.544 52.037 -0.694 0.000 0.767 9 A CB -0.585 18.062 19.000 -0.588 0.000 0.942 9 A HN 1.109 9.259 8.150 -0.000 0.000 0.514 10 L N -0.474 120.666 121.223 -0.138 0.000 5.134 10 L HA -0.345 3.996 4.340 0.002 0.000 0.407 10 L C 1.198 177.966 176.870 -0.169 0.000 0.869 10 L CA 1.644 56.443 54.840 -0.067 0.000 1.827 10 L CB -1.918 40.057 42.059 -0.140 0.000 1.501 10 L HN 0.735 8.965 8.230 -0.000 0.000 0.610 11 F N -0.667 119.261 119.950 -0.036 0.000 2.399 11 F HA 0.372 4.900 4.527 0.001 0.000 0.282 11 F C 1.328 177.168 175.800 0.066 0.000 1.027 11 F CA 1.095 59.110 58.000 0.026 0.000 1.333 11 F CB 0.452 39.488 39.000 0.060 0.000 1.132 11 F HN 0.065 8.364 8.300 -0.000 0.000 0.590 12 S N -1.099 114.784 115.700 0.305 0.000 2.560 12 S HA 0.560 5.031 4.470 0.002 0.000 0.283 12 S C -1.209 173.532 174.600 0.236 0.000 1.141 12 S CA -0.409 57.962 58.200 0.286 0.000 0.902 12 S CB 1.260 64.714 63.200 0.424 0.000 1.104 12 S HN -0.000 8.310 8.310 -0.000 0.000 0.454 13 T N 5.739 120.378 114.554 0.143 0.000 3.071 13 T HA 0.711 5.062 4.350 0.002 0.000 0.311 13 T C -1.636 173.271 174.700 0.345 0.000 1.042 13 T CA -0.619 61.553 62.100 0.120 0.000 1.028 13 T CB 0.753 69.621 68.868 0.001 0.000 1.068 13 T HN 0.678 8.918 8.240 -0.000 0.000 0.451 14 W N 3.170 124.621 121.300 0.252 0.000 3.573 14 W HA 0.721 5.382 4.660 0.001 0.000 0.306 14 W C -2.460 174.211 176.519 0.254 0.000 1.227 14 W CA -1.368 56.128 57.345 0.251 0.000 1.212 14 W CB 0.430 30.022 29.460 0.221 0.000 1.331 14 W HN 0.454 8.634 8.180 -0.000 0.000 0.524 15 I N 3.798 124.692 120.570 0.540 0.000 2.468 15 I HA 0.163 4.334 4.170 0.002 0.000 0.284 15 I C -1.355 175.123 176.117 0.600 0.000 1.038 15 I CA -0.883 60.657 61.300 0.400 0.000 1.083 15 I CB 1.855 39.954 38.000 0.165 0.000 1.223 15 I HN 0.336 8.546 8.210 -0.000 0.000 0.443 16 Y N 7.601 128.204 120.300 0.505 0.000 2.341 16 Y HA 0.313 4.864 4.550 0.002 0.000 0.340 16 Y C -1.167 174.970 175.900 0.396 0.000 0.997 16 Y CA -0.969 57.376 58.100 0.409 0.000 1.149 16 Y CB 0.688 39.423 38.460 0.457 0.000 1.171 16 Y HN 0.454 8.734 8.280 -0.000 0.000 0.494 17 Y N 5.806 125.964 120.300 -0.237 0.000 2.595 17 Y HA 0.251 4.801 4.550 0.001 0.000 0.336 17 Y C 1.164 176.736 175.900 -0.546 0.000 0.996 17 Y CA -0.597 57.372 58.100 -0.218 0.000 1.260 17 Y CB 0.665 39.188 38.460 0.105 0.000 1.108 17 Y HN 0.711 8.991 8.280 -0.000 0.000 0.509 18 S N 4.241 119.406 115.700 -0.893 0.000 2.402 18 S HA -0.061 4.410 4.470 0.002 0.000 0.229 18 S C -0.865 173.441 174.600 -0.490 0.000 1.021 18 S CA 0.766 58.552 58.200 -0.690 0.000 0.974 18 S CB -1.081 61.935 63.200 -0.307 0.000 0.800 18 S HN 0.582 8.892 8.310 -0.000 0.000 0.484 19 P HA -0.075 4.345 4.420 -0.000 0.000 0.216 19 P C 1.110 178.271 177.300 -0.231 0.000 1.150 19 P CA 1.273 64.080 63.100 -0.489 0.000 0.843 19 P CB -0.032 31.270 31.700 -0.663 0.000 0.787 20 E N -2.228 117.860 120.200 -0.186 0.000 2.538 20 E HA 0.157 4.508 4.350 0.002 0.000 0.207 20 E C 0.087 176.812 176.600 0.208 0.000 1.002 20 E CA -0.213 56.261 56.400 0.123 0.000 0.952 20 E CB 0.170 30.037 29.700 0.278 0.000 1.031 20 E HN -0.104 8.256 8.360 -0.000 0.000 0.476 21 R N 0.166 120.733 120.500 0.112 0.000 3.525 21 R HA -0.160 4.181 4.340 0.002 0.000 0.276 21 R C -0.463 176.075 176.300 0.397 0.000 1.116 21 R CA 0.387 56.676 56.100 0.315 0.000 0.745 21 R CB -2.413 28.069 30.300 0.303 0.000 1.185 21 R HN 0.211 8.481 8.270 -0.000 0.000 0.454 22 I N 0.492 121.212 120.570 0.251 0.000 2.377 22 I HA 0.292 4.463 4.170 0.002 0.000 0.293 22 I C -0.049 176.072 176.117 0.008 0.000 0.987 22 I CA -1.263 60.120 61.300 0.139 0.000 1.185 22 I CB 1.395 39.366 38.000 -0.048 0.000 1.341 22 I HN -0.070 8.140 8.210 -0.000 0.000 0.455 23 L N 7.425 128.548 121.223 -0.166 0.000 2.287 23 L HA 0.517 4.858 4.340 0.002 0.000 0.287 23 L C -1.352 175.433 176.870 -0.142 0.000 1.022 23 L CA 0.155 54.906 54.840 -0.148 0.000 0.814 23 L CB 0.735 42.409 42.059 -0.640 0.000 1.217 23 L HN 0.249 8.479 8.230 -0.000 0.000 0.420 24 F N 4.435 124.501 119.950 0.194 0.000 2.391 24 F HA 0.475 5.002 4.527 0.001 0.000 0.359 24 F C 0.229 176.192 175.800 0.272 0.000 1.122 24 F CA -0.244 57.873 58.000 0.196 0.000 1.120 24 F CB 0.633 39.706 39.000 0.122 0.000 1.142 24 F HN 0.576 8.876 8.300 -0.000 0.000 0.483 25 D N 1.679 122.341 120.400 0.436 0.000 10.890 25 D HA -0.089 4.552 4.640 0.002 0.000 0.359 25 D C -0.584 175.929 176.300 0.356 0.000 3.118 25 D CA 0.859 55.119 54.000 0.433 0.000 2.613 25 D CB -0.166 40.978 40.800 0.573 0.000 1.178 25 D HN 0.711 9.081 8.370 -0.000 0.000 0.941 26 A N 0.775 123.782 122.820 0.311 0.000 3.474 26 A HA 0.637 4.958 4.320 0.002 0.000 0.251 26 A C 0.548 178.258 177.584 0.209 0.000 1.062 26 A CA 0.353 52.524 52.037 0.223 0.000 0.945 26 A CB 0.278 19.357 19.000 0.132 0.000 1.296 26 A HN 0.724 8.874 8.150 -0.000 0.000 0.592 27 G N 0.541 109.530 108.800 0.315 0.000 2.636 27 G HA2 0.414 4.375 3.960 0.002 0.000 0.246 27 G HA3 0.414 4.375 3.960 0.002 0.000 0.246 27 G C 0.226 175.264 174.900 0.229 0.000 1.216 27 G CA 0.023 45.280 45.100 0.261 0.000 0.854 27 G HN 0.883 9.173 8.290 -0.000 0.000 0.572 28 E N -0.744 119.552 120.200 0.159 0.000 2.481 28 E HA 0.331 4.682 4.350 0.002 0.000 0.263 28 E C 1.107 177.760 176.600 0.088 0.000 0.992 28 E CA 0.188 56.643 56.400 0.092 0.000 0.938 28 E CB 0.302 30.044 29.700 0.070 0.000 0.933 28 E HN 1.360 9.720 8.360 -0.000 0.000 0.453 29 G N 1.756 110.541 108.800 -0.024 0.000 2.213 29 G HA2 -0.359 3.602 3.960 0.002 0.000 0.236 29 G HA3 -0.359 3.602 3.960 0.002 0.000 0.236 29 G C 0.701 175.465 174.900 -0.227 0.000 0.991 29 G CA 0.150 45.214 45.100 -0.060 0.000 0.629 29 G HN 0.758 9.048 8.290 -0.000 0.000 0.517 30 V N 2.040 121.629 119.914 -0.541 0.000 2.295 30 V HA -0.134 3.987 4.120 0.002 0.000 0.246 30 V C 2.965 178.682 176.094 -0.628 0.000 1.049 30 V CA 3.811 65.418 62.300 -1.154 0.000 1.024 30 V CB -0.406 30.635 31.823 -1.302 0.000 0.648 30 V HN 1.229 9.419 8.190 -0.000 0.000 0.447 31 S N -1.399 114.081 115.700 -0.368 0.000 2.383 31 S HA -0.195 4.276 4.470 0.002 0.000 0.227 31 S C 1.946 176.386 174.600 -0.267 0.000 1.026 31 S CA 1.837 59.856 58.200 -0.301 0.000 0.981 31 S CB -0.961 62.099 63.200 -0.234 0.000 0.818 31 S HN 0.635 8.945 8.310 -0.000 0.000 0.472 32 T N 2.361 116.785 114.554 -0.217 0.000 2.708 32 T HA -0.077 4.274 4.350 0.002 0.000 0.266 32 T C 1.998 176.618 174.700 -0.135 0.000 1.037 32 T CA 2.025 64.029 62.100 -0.159 0.000 1.146 32 T CB -0.953 67.843 68.868 -0.120 0.000 0.865 32 T HN 0.594 8.834 8.240 -0.000 0.000 0.435 33 T N 2.393 116.874 114.554 -0.123 0.000 2.701 33 T HA 0.089 4.440 4.350 0.002 0.000 0.263 33 T C 1.920 176.586 174.700 -0.056 0.000 1.040 33 T CA 0.869 62.958 62.100 -0.019 0.000 1.147 33 T CB -0.395 68.592 68.868 0.197 0.000 0.865 33 T HN 0.247 8.487 8.240 -0.000 0.000 0.426 34 L N 0.627 121.742 121.223 -0.180 0.000 2.478 34 L HA 0.167 4.508 4.340 0.002 0.000 0.223 34 L C 2.032 178.755 176.870 -0.245 0.000 1.140 34 L CA 0.250 54.978 54.840 -0.186 0.000 0.842 34 L CB -1.378 40.509 42.059 -0.286 0.000 0.953 34 L HN 0.497 8.727 8.230 -0.000 0.000 0.452 35 G N 1.134 109.778 108.800 -0.261 0.000 2.634 35 G HA2 -0.463 3.498 3.960 0.002 0.000 0.309 35 G HA3 -0.463 3.498 3.960 0.002 0.000 0.309 35 G C 1.000 175.621 174.900 -0.466 0.000 1.265 35 G CA 0.893 45.817 45.100 -0.292 0.000 0.998 35 G HN 0.442 8.732 8.290 -0.000 0.000 0.551 36 S N 0.185 115.614 115.700 -0.452 0.000 2.500 36 S HA -0.006 4.465 4.470 0.002 0.000 0.239 36 S C 1.870 176.095 174.600 -0.625 0.000 0.989 36 S CA 1.810 59.586 58.200 -0.706 0.000 0.951 36 S CB -0.122 62.896 63.200 -0.302 0.000 0.759 36 S HN 0.732 9.042 8.310 -0.000 0.000 0.523 37 K N 1.172 121.299 120.400 -0.454 0.000 2.280 37 K HA -0.035 4.286 4.320 0.002 0.000 0.202 37 K C 2.113 178.254 176.600 -0.766 0.000 1.047 37 K CA 1.278 57.316 56.287 -0.416 0.000 0.942 37 K CB -0.609 31.706 32.500 -0.308 0.000 0.739 37 K HN 0.567 8.817 8.250 -0.000 0.000 0.457 38 V N -1.717 117.583 119.914 -1.023 0.000 2.720 38 V HA -0.248 3.873 4.120 0.002 0.000 0.256 38 V C 1.688 177.177 176.094 -1.008 0.000 1.082 38 V CA 1.257 62.598 62.300 -1.599 0.000 1.101 38 V CB -1.147 30.063 31.823 -1.022 0.000 0.693 38 V HN 0.266 8.456 8.190 -0.000 0.000 0.479 39 Y N 1.106 121.096 120.300 -0.517 0.000 2.333 39 Y HA 0.027 4.578 4.550 0.001 0.000 0.290 39 Y C 2.745 178.516 175.900 -0.216 0.000 1.144 39 Y CA 0.686 58.615 58.100 -0.285 0.000 1.228 39 Y CB -0.252 38.099 38.460 -0.181 0.000 0.985 39 Y HN 0.400 8.680 8.280 -0.000 0.000 0.542 40 A N 0.176 122.930 122.820 -0.109 0.000 2.119 40 A HA 0.024 4.345 4.320 0.002 0.000 0.216 40 A C 0.543 178.239 177.584 0.187 0.000 1.152 40 A CA -0.271 51.789 52.037 0.039 0.000 0.708 40 A CB -1.011 18.041 19.000 0.088 0.000 0.805 40 A HN 0.339 8.489 8.150 -0.000 0.000 0.460 41 F N 0.485 120.463 119.950 0.047 0.000 2.623 41 F HA -0.045 4.483 4.527 0.001 0.000 0.383 41 F C 1.418 177.229 175.800 0.019 0.000 1.077 41 F CA 0.061 58.108 58.000 0.078 0.000 1.268 41 F CB 0.576 39.592 39.000 0.026 0.000 1.053 41 F HN 0.159 8.459 8.300 -0.000 0.000 0.571 42 K N 2.675 123.181 120.400 0.177 0.000 2.365 42 K HA 0.140 4.461 4.320 0.002 0.000 0.195 42 K C -1.073 175.215 176.600 -0.521 0.000 1.079 42 K CA 0.406 56.553 56.287 -0.234 0.000 0.979 42 K CB 0.598 32.906 32.500 -0.320 0.000 0.929 42 K HN 0.454 8.704 8.250 -0.000 0.000 0.523 43 Y N -1.055 119.346 120.300 0.170 0.000 2.581 43 Y HA 0.413 4.964 4.550 0.001 0.000 0.337 43 Y C -0.851 175.018 175.900 -0.052 0.000 1.108 43 Y CA -1.358 56.793 58.100 0.085 0.000 1.033 43 Y CB 1.647 40.186 38.460 0.132 0.000 1.318 43 Y HN -0.441 7.839 8.280 -0.000 0.000 0.459 44 V N 2.555 122.483 119.914 0.023 0.000 2.577 44 V HA 0.490 4.610 4.120 0.002 0.000 0.303 44 V C -1.353 174.640 176.094 -0.168 0.000 1.042 44 V CA -0.969 61.286 62.300 -0.075 0.000 0.872 44 V CB 1.654 33.452 31.823 -0.041 0.000 0.998 44 V HN 0.570 8.760 8.190 -0.000 0.000 0.423 45 F N 4.737 124.624 119.950 -0.104 0.000 2.477 45 F HA 0.627 5.155 4.527 0.001 0.000 0.335 45 F C -0.077 175.775 175.800 0.088 0.000 1.130 45 F CA -0.521 57.411 58.000 -0.113 0.000 0.948 45 F CB 1.664 40.256 39.000 -0.680 0.000 1.154 45 F HN 0.191 8.491 8.300 -0.000 0.000 0.439 46 L N 3.019 124.495 121.223 0.422 0.000 2.295 46 L HA 0.337 4.678 4.340 0.002 0.000 0.285 46 L C 1.270 178.514 176.870 0.623 0.000 1.035 46 L CA -0.441 54.675 54.840 0.460 0.000 0.806 46 L CB 1.825 44.099 42.059 0.357 0.000 1.214 46 L HN 0.771 9.001 8.230 -0.000 0.000 0.426 47 T N -2.404 112.499 114.554 0.582 0.000 3.023 47 T HA 0.025 4.376 4.350 0.002 0.000 0.266 47 T C 0.477 175.361 174.700 0.306 0.000 1.093 47 T CA 0.783 63.159 62.100 0.460 0.000 1.129 47 T CB -0.170 68.889 68.868 0.318 0.000 0.899 47 T HN 0.796 9.036 8.240 -0.000 0.000 0.491 48 H N -2.230 116.853 119.070 0.022 0.000 2.838 48 H HA 0.407 4.964 4.556 0.001 0.000 0.269 48 H C 0.249 175.576 175.328 -0.002 0.000 1.463 48 H CA -0.653 55.344 56.048 -0.084 0.000 1.141 48 H CB 0.827 30.419 29.762 -0.283 0.000 1.821 48 H HN 0.071 8.351 8.280 -0.000 0.000 0.544 49 G N -0.581 108.169 108.800 -0.084 0.000 3.502 49 G HA2 0.141 4.102 3.960 0.002 0.000 0.267 49 G HA3 0.141 4.102 3.960 0.002 0.000 0.267 49 G C -0.248 174.637 174.900 -0.026 0.000 1.090 49 G CA -0.277 44.788 45.100 -0.059 0.000 0.795 49 G HN 0.579 8.869 8.290 -0.000 0.000 0.535 50 H N -0.442 118.496 119.070 -0.221 0.000 2.707 50 H HA 0.061 4.618 4.556 0.002 0.000 0.359 50 H C 1.473 176.756 175.328 -0.076 0.000 1.113 50 H CA -0.460 55.529 56.048 -0.098 0.000 1.422 50 H CB 2.589 32.344 29.762 -0.012 0.000 1.443 50 H HN -0.064 8.216 8.280 -0.000 0.000 0.591 51 V N 2.591 122.525 119.914 0.033 0.000 2.317 51 V HA -0.322 3.799 4.120 0.002 0.000 0.251 51 V C 1.797 177.883 176.094 -0.012 0.000 1.065 51 V CA 2.590 64.852 62.300 -0.062 0.000 1.049 51 V CB -0.402 31.359 31.823 -0.104 0.000 0.651 51 V HN 0.974 9.164 8.190 -0.000 0.000 0.450 52 D N -2.250 118.179 120.400 0.048 0.000 2.392 52 D HA -0.183 4.458 4.640 0.002 0.000 0.228 52 D C 1.495 177.747 176.300 -0.079 0.000 1.003 52 D CA 1.294 55.308 54.000 0.023 0.000 0.917 52 D CB -0.560 40.256 40.800 0.027 0.000 0.890 52 D HN 0.722 9.092 8.370 -0.000 0.000 0.532 53 H N -0.375 118.733 119.070 0.064 0.000 2.893 53 H HA 0.257 4.814 4.556 0.002 0.000 0.270 53 H C 1.619 176.998 175.328 0.085 0.000 1.095 53 H CA 0.303 56.405 56.048 0.090 0.000 1.186 53 H CB 1.350 31.061 29.762 -0.084 0.000 1.562 53 H HN 0.343 8.623 8.280 -0.000 0.000 0.536 54 I N -4.053 116.579 120.570 0.103 0.000 4.779 54 I HA 0.405 4.575 4.170 0.002 0.000 0.339 54 I C 1.895 178.027 176.117 0.025 0.000 1.293 54 I CA 0.089 61.439 61.300 0.084 0.000 1.324 54 I CB 0.203 38.232 38.000 0.048 0.000 1.424 54 I HN -0.134 8.076 8.210 -0.000 0.000 0.489 55 A N 2.007 124.781 122.820 -0.076 0.000 2.076 55 A HA 0.036 4.357 4.320 0.002 0.000 0.220 55 A C 2.145 179.815 177.584 0.143 0.000 1.160 55 A CA 1.830 53.820 52.037 -0.079 0.000 0.653 55 A CB -1.232 17.726 19.000 -0.069 0.000 0.801 55 A HN 0.598 8.748 8.150 -0.000 0.000 0.455 56 G N -1.041 107.833 108.800 0.124 0.000 2.813 56 G HA2 0.129 4.090 3.960 0.002 0.000 0.209 56 G HA3 0.129 4.090 3.960 0.002 0.000 0.209 56 G C 1.230 176.198 174.900 0.114 0.000 1.150 56 G CA 0.665 45.817 45.100 0.087 0.000 0.785 56 G HN 0.416 8.706 8.290 -0.000 0.000 0.535 57 L N -0.108 121.242 121.223 0.212 0.000 2.083 57 L HA 0.060 4.401 4.340 0.002 0.000 0.209 57 L C 2.326 179.253 176.870 0.096 0.000 1.083 57 L CA 1.332 56.250 54.840 0.131 0.000 0.752 57 L CB -0.456 41.694 42.059 0.153 0.000 0.899 57 L HN 0.392 8.622 8.230 -0.000 0.000 0.433 58 W N 0.682 121.983 121.300 0.001 0.000 2.335 58 W HA -0.102 4.558 4.660 0.001 0.000 0.311 58 W C 2.289 178.762 176.519 -0.076 0.000 1.213 58 W CA 1.941 59.235 57.345 -0.084 0.000 1.274 58 W CB -1.184 28.318 29.460 0.069 0.000 1.148 58 W HN 0.243 8.423 8.180 -0.000 0.000 0.498 59 G N 0.472 109.291 108.800 0.031 0.000 2.440 59 G HA2 -0.273 3.688 3.960 0.002 0.000 0.218 59 G HA3 -0.273 3.688 3.960 0.002 0.000 0.218 59 G C 1.603 176.446 174.900 -0.094 0.000 1.154 59 G CA 2.027 47.044 45.100 -0.139 0.000 0.767 59 G HN 0.200 8.490 8.290 -0.000 0.000 0.552 60 V N 1.169 121.052 119.914 -0.051 0.000 2.255 60 V HA -0.225 3.896 4.120 0.002 0.000 0.247 60 V C 3.206 179.276 176.094 -0.039 0.000 1.051 60 V CA 2.048 64.322 62.300 -0.043 0.000 1.018 60 V CB -0.617 31.241 31.823 0.059 0.000 0.641 60 V HN 0.429 8.619 8.190 -0.000 0.000 0.445 61 V N -0.685 119.199 119.914 -0.050 0.000 2.667 61 V HA -0.141 3.980 4.120 0.002 0.000 0.252 61 V C 2.069 178.187 176.094 0.039 0.000 1.065 61 V CA 2.275 64.558 62.300 -0.028 0.000 1.083 61 V CB -1.225 30.496 31.823 -0.169 0.000 0.692 61 V HN 0.594 8.784 8.190 -0.000 0.000 0.468 62 N N 0.974 119.701 118.700 0.046 0.000 2.080 62 N HA -0.139 4.602 4.740 0.002 0.000 0.189 62 N C 1.699 177.215 175.510 0.010 0.000 1.036 62 N CA 2.193 55.269 53.050 0.043 0.000 0.846 62 N CB -0.285 38.181 38.487 -0.035 0.000 1.015 62 N HN 0.378 8.758 8.380 -0.000 0.000 0.423 63 I N 0.942 121.493 120.570 -0.032 0.000 2.226 63 I HA -0.180 3.991 4.170 0.002 0.000 0.245 63 I C 2.232 178.418 176.117 0.115 0.000 1.100 63 I CA 1.152 62.441 61.300 -0.019 0.000 1.374 63 I CB -1.041 36.876 38.000 -0.139 0.000 1.057 63 I HN 0.303 8.513 8.210 -0.000 0.000 0.413 64 R N 0.359 120.914 120.500 0.092 0.000 2.081 64 R HA -0.179 4.162 4.340 0.002 0.000 0.235 64 R C 2.080 178.447 176.300 0.112 0.000 1.131 64 R CA 1.510 57.721 56.100 0.185 0.000 0.960 64 R CB -0.470 29.889 30.300 0.099 0.000 0.856 64 R HN 0.506 8.776 8.270 -0.000 0.000 0.436 65 N N 1.200 119.947 118.700 0.077 0.000 2.244 65 N HA -0.114 4.627 4.740 0.002 0.000 0.183 65 N C 0.455 175.980 175.510 0.026 0.000 1.016 65 N CA 0.393 53.474 53.050 0.051 0.000 0.866 65 N CB -0.004 38.522 38.487 0.066 0.000 0.980 65 N HN 0.216 8.596 8.380 -0.000 0.000 0.430 73 K N 2.562 122.977 120.400 0.024 0.000 2.276 73 K HA 0.193 4.514 4.320 0.002 0.000 0.259 73 K C -2.263 174.369 176.600 0.053 0.000 1.001 73 K CA -1.249 55.060 56.287 0.037 0.000 0.927 73 K CB 0.112 32.636 32.500 0.041 0.000 0.969 73 K HN -0.098 8.152 8.250 -0.000 0.000 0.490 74 P HA -0.098 4.322 4.420 -0.000 0.000 0.265 74 P C -0.572 176.786 177.300 0.097 0.000 1.187 74 P CA -0.201 62.952 63.100 0.087 0.000 0.766 74 P CB 0.355 32.096 31.700 0.068 0.000 0.820 75 L N 3.452 124.754 121.223 0.133 0.000 2.410 75 L HA 0.153 4.494 4.340 0.002 0.000 0.273 75 L C 0.046 176.991 176.870 0.125 0.000 1.152 75 L CA 0.494 55.410 54.840 0.126 0.000 0.855 75 L CB -0.231 41.921 42.059 0.154 0.000 1.129 75 L HN 0.242 8.472 8.230 -0.000 0.000 0.463 76 D N 4.697 125.157 120.400 0.100 0.000 2.295 76 D HA 0.256 4.897 4.640 0.002 0.000 0.248 76 D C -0.787 175.483 176.300 -0.050 0.000 1.154 76 D CA 0.019 54.059 54.000 0.066 0.000 0.857 76 D CB 1.763 42.681 40.800 0.196 0.000 1.117 76 D HN 0.307 8.677 8.370 -0.000 0.000 0.468 77 V N 4.154 123.963 119.914 -0.174 0.000 2.378 77 V HA 0.327 4.448 4.120 0.002 0.000 0.288 77 V C -0.342 175.633 176.094 -0.198 0.000 1.016 77 V CA -0.740 61.493 62.300 -0.112 0.000 0.840 77 V CB 0.538 32.389 31.823 0.046 0.000 0.994 77 V HN 0.297 8.487 8.190 -0.000 0.000 0.431 78 F N 5.319 125.279 119.950 0.016 0.000 2.425 78 F HA 0.797 5.325 4.527 0.002 0.000 0.331 78 F C 0.000 176.000 175.800 0.333 0.000 1.085 78 F CA -0.584 57.493 58.000 0.129 0.000 1.028 78 F CB 1.476 40.408 39.000 -0.114 0.000 1.177 78 F HN 0.612 8.912 8.300 -0.000 0.000 0.487 79 Y N -0.136 120.400 120.300 0.393 0.000 2.670 79 Y HA 0.696 5.248 4.550 0.002 0.000 0.334 79 Y C -3.408 172.631 175.900 0.232 0.000 1.185 79 Y CA -3.594 54.694 58.100 0.312 0.000 1.053 79 Y CB 0.777 39.338 38.460 0.169 0.000 1.298 79 Y HN 0.221 8.501 8.280 -0.000 0.000 0.459 80 P HA 0.072 4.492 4.420 -0.000 0.000 0.271 80 P C -0.633 176.448 177.300 -0.365 0.000 1.226 80 P CA 0.065 62.778 63.100 -0.645 0.000 0.765 80 P CB 0.705 31.780 31.700 -1.042 0.000 0.835 81 E N 2.696 122.733 120.200 -0.271 0.000 2.452 81 E HA 0.119 4.470 4.350 0.002 0.000 0.261 81 E C 1.165 177.742 176.600 -0.037 0.000 0.987 81 E CA 1.038 57.360 56.400 -0.131 0.000 0.926 81 E CB -0.294 29.407 29.700 0.002 0.000 0.934 81 E HN 0.760 9.120 8.360 -0.000 0.000 0.452 82 G N 3.980 112.818 108.800 0.064 0.000 2.234 82 G HA2 -0.340 3.621 3.960 0.002 0.000 0.235 82 G HA3 -0.340 3.621 3.960 0.002 0.000 0.235 82 G C 0.347 175.301 174.900 0.089 0.000 0.997 82 G CA 0.222 45.362 45.100 0.066 0.000 0.623 82 G HN 0.665 8.955 8.290 -0.000 0.000 0.514 83 N N 1.072 119.858 118.700 0.144 0.000 2.400 83 N HA 0.341 5.082 4.740 0.002 0.000 0.278 83 N C 1.815 177.389 175.510 0.106 0.000 1.247 83 N CA -0.023 53.100 53.050 0.123 0.000 0.970 83 N CB 0.116 38.701 38.487 0.163 0.000 1.312 83 N HN 0.436 8.816 8.380 -0.000 0.000 0.488 84 R N 2.390 122.928 120.500 0.064 0.000 2.096 84 R HA -0.141 4.200 4.340 0.002 0.000 0.235 84 R C 1.832 178.145 176.300 0.021 0.000 1.127 84 R CA 1.322 57.448 56.100 0.042 0.000 0.968 84 R CB -0.265 30.057 30.300 0.037 0.000 0.861 84 R HN 0.583 8.853 8.270 -0.000 0.000 0.440 85 A N 0.859 123.695 122.820 0.028 0.000 1.940 85 A HA -0.123 4.198 4.320 0.002 0.000 0.219 85 A C 2.369 179.966 177.584 0.021 0.000 1.176 85 A CA 1.415 53.470 52.037 0.029 0.000 0.631 85 A CB -0.480 18.546 19.000 0.043 0.000 0.814 85 A HN 0.113 8.263 8.150 -0.000 0.000 0.446 86 V N 0.034 119.924 119.914 -0.040 0.000 2.358 86 V HA -0.247 3.874 4.120 0.002 0.000 0.246 86 V C 2.394 178.371 176.094 -0.195 0.000 1.047 86 V CA 2.230 64.451 62.300 -0.133 0.000 1.035 86 V CB -0.811 30.780 31.823 -0.388 0.000 0.658 86 V HN 0.656 8.846 8.190 -0.000 0.000 0.452 87 E N -0.066 119.999 120.200 -0.224 0.000 2.077 87 E HA -0.236 4.115 4.350 0.002 0.000 0.193 87 E C 2.225 178.796 176.600 -0.049 0.000 0.989 87 E CA 1.451 57.757 56.400 -0.156 0.000 0.800 87 E CB -0.153 29.508 29.700 -0.065 0.000 0.746 87 E HN 0.675 9.035 8.360 -0.000 0.000 0.452 88 E N 0.027 120.231 120.200 0.006 0.000 2.077 88 E HA -0.203 4.148 4.350 0.002 0.000 0.193 88 E C 1.906 178.576 176.600 0.117 0.000 0.989 88 E CA 0.928 57.357 56.400 0.049 0.000 0.800 88 E CB -0.139 29.591 29.700 0.051 0.000 0.746 88 E HN 0.264 8.624 8.360 -0.000 0.000 0.452 89 Y N 1.782 122.076 120.300 -0.010 0.000 2.220 89 Y HA -0.188 4.363 4.550 0.001 0.000 0.291 89 Y C 2.618 178.555 175.900 0.063 0.000 1.129 89 Y CA 1.874 59.996 58.100 0.036 0.000 1.161 89 Y CB -0.612 37.850 38.460 0.005 0.000 0.997 89 Y HN 0.049 8.329 8.280 -0.000 0.000 0.522 90 T N -2.335 112.158 114.554 -0.103 0.000 2.867 90 T HA -0.152 4.199 4.350 0.002 0.000 0.268 90 T C 1.624 176.258 174.700 -0.109 0.000 1.057 90 T CA 1.578 63.614 62.100 -0.108 0.000 1.136 90 T CB -0.430 68.466 68.868 0.046 0.000 0.874 90 T HN 0.468 8.708 8.240 -0.000 0.000 0.466 91 E N 0.455 120.597 120.200 -0.096 0.000 2.072 91 E HA 0.007 4.358 4.350 0.002 0.000 0.191 91 E C 1.725 178.235 176.600 -0.149 0.000 0.985 91 E CA 1.159 57.489 56.400 -0.116 0.000 0.801 91 E CB -0.337 29.325 29.700 -0.063 0.000 0.750 91 E HN 0.625 8.985 8.360 -0.000 0.000 0.452 92 F N 1.546 121.374 119.950 -0.204 0.000 2.134 92 F HA -0.179 4.349 4.527 0.001 0.000 0.299 92 F C 1.888 177.457 175.800 -0.385 0.000 1.097 92 F CA 1.282 59.134 58.000 -0.247 0.000 1.264 92 F CB -0.196 38.681 39.000 -0.205 0.000 1.001 92 F HN -0.098 8.202 8.300 -0.000 0.000 0.479 93 I N 0.652 120.710 120.570 -0.854 0.000 2.163 93 I HA -0.331 3.840 4.170 0.002 0.000 0.243 93 I C 2.380 178.078 176.117 -0.698 0.000 1.085 93 I CA 1.746 62.414 61.300 -1.053 0.000 1.347 93 I CB -0.532 37.059 38.000 -0.681 0.000 1.044 93 I HN 0.160 8.370 8.210 -0.000 0.000 0.408 94 K N 0.201 120.342 120.400 -0.431 0.000 2.103 94 K HA -0.154 4.167 4.320 0.002 0.000 0.204 94 K C 2.257 178.628 176.600 -0.381 0.000 1.052 94 K CA 0.943 57.005 56.287 -0.376 0.000 0.945 94 K CB -0.173 32.093 32.500 -0.390 0.000 0.722 94 K HN 0.244 8.494 8.250 -0.000 0.000 0.443 95 R N 1.001 121.277 120.500 -0.375 0.000 2.075 95 R HA -0.053 4.288 4.340 0.002 0.000 0.232 95 R C 2.009 178.119 176.300 -0.316 0.000 1.126 95 R CA 1.399 57.326 56.100 -0.288 0.000 0.963 95 R CB -0.131 30.045 30.300 -0.206 0.000 0.858 95 R HN 0.127 8.397 8.270 -0.000 0.000 0.435 96 A N 0.182 122.694 122.820 -0.513 0.000 2.123 96 A HA 0.040 4.361 4.320 0.002 0.000 0.214 96 A C -0.076 177.302 177.584 -0.343 0.000 1.152 96 A CA 0.601 52.359 52.037 -0.465 0.000 0.728 96 A CB -0.003 18.518 19.000 -0.799 0.000 0.814 96 A HN 0.487 8.637 8.150 -0.000 0.000 0.464 97 N N -0.467 118.014 118.700 -0.365 0.000 2.804 97 N HA 0.334 5.075 4.740 0.002 0.000 0.251 97 N C -2.602 172.805 175.510 -0.172 0.000 1.250 97 N CA -1.282 51.651 53.050 -0.195 0.000 0.820 97 N CB 1.521 39.925 38.487 -0.139 0.000 1.156 97 N HN -0.060 8.320 8.380 -0.000 0.000 0.512 98 P HA -0.248 4.172 4.420 -0.000 0.000 0.217 98 P C 0.880 178.114 177.300 -0.109 0.000 1.151 98 P CA 1.316 64.334 63.100 -0.137 0.000 0.849 98 P CB 0.160 31.816 31.700 -0.074 0.000 0.787 99 D N -0.708 119.663 120.400 -0.048 0.000 2.350 99 D HA -0.122 4.519 4.640 0.002 0.000 0.216 99 D C 1.449 177.747 176.300 -0.004 0.000 0.968 99 D CA 0.958 54.957 54.000 -0.002 0.000 0.894 99 D CB -0.633 40.179 40.800 0.020 0.000 0.909 99 D HN 0.283 8.653 8.370 -0.000 0.000 0.520 100 L N -0.695 120.499 121.223 -0.048 0.000 2.693 100 L HA 0.279 4.620 4.340 0.002 0.000 0.235 100 L C 2.467 179.260 176.870 -0.128 0.000 1.127 100 L CA -0.418 54.423 54.840 0.001 0.000 0.914 100 L CB 0.015 42.124 42.059 0.083 0.000 1.193 100 L HN -0.162 8.068 8.230 -0.000 0.000 0.502 101 R N 0.849 121.134 120.500 -0.360 0.000 2.185 101 R HA -0.157 4.184 4.340 0.002 0.000 0.247 101 R C 0.959 176.654 176.300 -1.009 0.000 1.159 101 R CA 1.899 57.547 56.100 -0.753 0.000 0.988 101 R CB -0.001 29.711 30.300 -0.979 0.000 0.871 101 R HN 0.289 8.559 8.270 -0.000 0.000 0.458 102 F N -1.497 118.378 119.950 -0.125 0.000 2.683 102 F HA 0.158 4.686 4.527 0.001 0.000 0.306 102 F C 1.635 177.390 175.800 -0.074 0.000 1.102 102 F CA -0.311 57.614 58.000 -0.126 0.000 1.244 102 F CB 0.866 39.818 39.000 -0.081 0.000 1.029 102 F HN -0.012 8.288 8.300 -0.000 0.000 0.545 103 S N 0.482 116.212 115.700 0.050 0.000 2.496 103 S HA 0.118 4.589 4.470 0.002 0.000 0.224 103 S C 0.168 174.917 174.600 0.248 0.000 0.996 103 S CA 0.040 58.338 58.200 0.164 0.000 0.927 103 S CB -0.648 62.681 63.200 0.215 0.000 0.774 103 S HN 0.341 8.651 8.310 -0.000 0.000 0.524 104 F N -1.000 118.925 119.950 -0.042 0.000 2.713 104 F HA 0.755 5.283 4.527 0.001 0.000 0.311 104 F C -1.502 174.235 175.800 -0.106 0.000 1.141 104 F CA -1.366 56.599 58.000 -0.058 0.000 0.939 104 F CB 0.809 39.770 39.000 -0.064 0.000 1.325 104 F HN -0.251 8.049 8.300 -0.000 0.000 0.453 105 N N 0.998 119.615 118.700 -0.139 0.000 2.235 105 N HA 0.590 5.331 4.740 0.002 0.000 0.293 105 N C -1.495 173.753 175.510 -0.437 0.000 1.083 105 N CA -0.538 52.290 53.050 -0.369 0.000 0.801 105 N CB 2.805 41.116 38.487 -0.293 0.000 1.559 105 N HN 0.767 9.147 8.380 -0.000 0.000 0.472 106 V N -0.442 119.198 119.914 -0.457 0.000 2.630 106 V HA 0.638 4.759 4.120 0.002 0.000 0.305 106 V C -0.654 175.169 176.094 -0.452 0.000 1.046 106 V CA -0.331 61.796 62.300 -0.288 0.000 0.934 106 V CB 1.869 33.677 31.823 -0.026 0.000 1.003 106 V HN 0.607 8.797 8.190 -0.000 0.000 0.451 107 H N 3.585 122.681 119.070 0.042 0.000 3.013 107 H HA 0.484 5.041 4.556 0.002 0.000 0.326 107 H C -2.882 172.368 175.328 -0.129 0.000 0.973 107 H CA -1.554 54.461 56.048 -0.055 0.000 1.369 107 H CB 2.384 31.949 29.762 -0.329 0.000 1.598 107 H HN 0.582 8.862 8.280 -0.000 0.000 0.518 108 P HA 0.220 4.640 4.420 -0.000 0.000 0.279 108 P C -0.195 177.075 177.300 -0.051 0.000 1.239 108 P CA -0.355 62.387 63.100 -0.596 0.000 0.789 108 P CB 1.675 33.158 31.700 -0.362 0.000 0.933 109 L N 2.726 123.988 121.223 0.065 0.000 2.342 109 L HA 0.466 4.807 4.340 0.002 0.000 0.271 109 L C 0.813 177.902 176.870 0.366 0.000 1.008 109 L CA -0.977 54.044 54.840 0.302 0.000 0.818 109 L CB 1.984 44.333 42.059 0.484 0.000 1.296 109 L HN 0.252 8.482 8.230 -0.000 0.000 0.427 110 K N 1.100 121.651 120.400 0.252 0.000 2.087 110 K HA 0.237 4.558 4.320 0.002 0.000 0.255 110 K C -0.369 176.284 176.600 0.089 0.000 0.988 110 K CA -0.691 55.734 56.287 0.230 0.000 0.915 110 K CB 1.374 33.950 32.500 0.126 0.000 1.043 110 K HN 0.501 8.751 8.250 -0.000 0.000 0.457 111 E N 0.349 120.564 120.200 0.024 0.000 2.452 111 E HA -0.053 4.298 4.350 0.002 0.000 0.261 111 E C 0.607 177.104 176.600 -0.173 0.000 0.987 111 E CA 0.972 57.167 56.400 -0.342 0.000 0.926 111 E CB 0.078 29.689 29.700 -0.150 0.000 0.934 111 E HN 0.727 9.087 8.360 -0.000 0.000 0.452 112 G N 3.568 112.248 108.800 -0.200 0.000 2.234 112 G HA2 -0.387 3.574 3.960 0.002 0.000 0.260 112 G HA3 -0.387 3.574 3.960 0.002 0.000 0.260 112 G C 0.183 175.077 174.900 -0.009 0.000 0.987 112 G CA 0.445 45.518 45.100 -0.046 0.000 0.625 112 G HN 0.692 8.982 8.290 -0.000 0.000 0.532 113 E N 1.288 121.480 120.200 -0.014 0.000 2.351 113 E HA 0.360 4.711 4.350 0.002 0.000 0.266 113 E C 0.728 177.356 176.600 0.047 0.000 1.031 113 E CA -0.493 55.928 56.400 0.036 0.000 0.911 113 E CB 0.250 29.997 29.700 0.078 0.000 0.986 113 E HN 0.496 8.856 8.360 -0.000 0.000 0.446 114 R N 2.453 122.965 120.500 0.020 0.000 2.490 114 R HA 0.333 4.673 4.340 0.002 0.000 0.278 114 R C -0.804 175.487 176.300 -0.015 0.000 1.069 114 R CA -0.628 55.452 56.100 -0.032 0.000 1.080 114 R CB 1.413 31.556 30.300 -0.262 0.000 1.030 114 R HN 0.272 8.542 8.270 -0.000 0.000 0.491 115 V N 4.412 124.280 119.914 -0.076 0.000 2.325 115 V HA 0.242 4.363 4.120 0.002 0.000 0.280 115 V C -0.661 175.381 176.094 -0.087 0.000 1.016 115 V CA -0.653 61.602 62.300 -0.075 0.000 0.818 115 V CB 0.579 32.243 31.823 -0.266 0.000 1.019 115 V HN 0.547 8.737 8.190 -0.000 0.000 0.434 116 F N 4.628 124.657 119.950 0.131 0.000 2.495 116 F HA 0.381 4.911 4.527 0.005 0.000 0.365 116 F C 0.548 176.474 175.800 0.210 0.000 1.090 116 F CA -0.051 58.104 58.000 0.258 0.000 1.235 116 F CB 0.740 39.981 39.000 0.403 0.000 1.119 116 F HN 0.252 8.552 8.300 -0.000 0.000 0.562 117 L N 5.279 126.598 121.223 0.160 0.000 2.292 117 L HA 0.371 4.712 4.340 0.002 0.000 0.284 117 L C 1.415 178.215 176.870 -0.117 0.000 1.065 117 L CA -0.790 54.067 54.840 0.028 0.000 0.806 117 L CB 1.378 43.392 42.059 -0.074 0.000 1.175 117 L HN 0.698 8.928 8.230 -0.000 0.000 0.431 118 R N 3.525 123.994 120.500 -0.051 0.000 2.143 118 R HA -0.270 4.071 4.340 0.002 0.000 0.239 118 R C 0.989 176.997 176.300 -0.486 0.000 1.126 118 R CA 1.683 57.552 56.100 -0.386 0.000 0.927 118 R CB -0.628 29.670 30.300 -0.002 0.000 0.860 118 R HN 0.951 9.221 8.270 -0.000 0.000 0.433 119 N N -0.762 117.848 118.700 -0.149 0.000 1.275 119 N HA -0.295 4.446 4.740 0.002 0.000 0.130 119 N C -0.478 174.985 175.510 -0.078 0.000 0.862 119 N CA 0.737 53.730 53.050 -0.095 0.000 0.908 119 N CB -1.458 36.948 38.487 -0.136 0.000 1.078 119 N HN 0.440 8.820 8.380 -0.000 0.000 0.600 120 A N 0.268 123.057 122.820 -0.052 0.000 2.507 120 A HA 0.531 4.852 4.320 0.002 0.000 0.270 120 A C 1.191 178.773 177.584 -0.003 0.000 1.318 120 A CA 1.442 53.472 52.037 -0.012 0.000 0.924 120 A CB -0.687 18.320 19.000 0.011 0.000 1.061 120 A HN 1.747 9.897 8.150 -0.000 0.000 0.516 121 G N -2.120 106.641 108.800 -0.066 0.000 2.159 121 G HA2 -0.144 3.817 3.960 0.002 0.000 0.227 121 G HA3 -0.144 3.817 3.960 0.002 0.000 0.227 121 G C 1.079 176.061 174.900 0.138 0.000 0.986 121 G CA 0.329 45.458 45.100 0.048 0.000 0.651 121 G HN 1.187 9.477 8.290 -0.000 0.000 0.523 122 G N -0.378 108.435 108.800 0.021 0.000 2.453 122 G HA2 0.335 4.295 3.960 0.002 0.000 0.215 122 G HA3 0.335 4.295 3.960 0.002 0.000 0.215 122 G C 0.971 176.025 174.900 0.256 0.000 1.147 122 G CA 0.721 45.895 45.100 0.124 0.000 0.802 122 G HN 1.079 9.369 8.290 -0.000 0.000 0.535 123 F N -0.102 119.939 119.950 0.152 0.000 3.100 123 F HA -0.238 4.292 4.527 0.004 0.000 0.283 123 F C 1.681 177.672 175.800 0.318 0.000 0.900 123 F CA 1.034 59.189 58.000 0.258 0.000 1.010 123 F CB -1.501 37.589 39.000 0.150 0.000 1.029 123 F HN 0.206 8.506 8.300 -0.000 0.000 0.637 124 K N -0.263 120.297 120.400 0.267 0.000 2.305 124 K HA 0.064 4.385 4.320 0.002 0.000 0.199 124 K C 0.758 177.454 176.600 0.159 0.000 1.047 124 K CA 0.771 57.179 56.287 0.202 0.000 0.976 124 K CB 0.175 32.733 32.500 0.097 0.000 0.765 124 K HN 0.331 8.581 8.250 -0.000 0.000 0.474 125 R N 0.673 121.249 120.500 0.128 0.000 2.711 125 R HA 0.384 4.725 4.340 0.002 0.000 0.284 125 R C -1.043 175.231 176.300 -0.044 0.000 0.968 125 R CA -0.980 55.106 56.100 -0.023 0.000 0.924 125 R CB 1.087 31.357 30.300 -0.051 0.000 1.162 125 R HN -0.065 8.205 8.270 -0.000 0.000 0.465 126 Y N -2.305 117.832 120.300 -0.272 0.000 2.597 126 Y HA 0.611 5.162 4.550 0.003 0.000 0.340 126 Y C -1.351 174.374 175.900 -0.292 0.000 1.097 126 Y CA -1.421 56.398 58.100 -0.469 0.000 1.037 126 Y CB 1.022 38.794 38.460 -1.147 0.000 1.305 126 Y HN 0.216 8.496 8.280 -0.000 0.000 0.463 127 V N 2.702 122.516 119.914 -0.168 0.000 2.472 127 V HA 0.492 4.613 4.120 0.002 0.000 0.290 127 V C -0.703 175.417 176.094 0.042 0.000 1.037 127 V CA -0.555 61.600 62.300 -0.241 0.000 0.908 127 V CB 1.452 32.816 31.823 -0.764 0.000 0.985 127 V HN 0.841 9.031 8.190 -0.000 0.000 0.454 128 Q N 5.993 125.893 119.800 0.167 0.000 2.274 128 Q HA 0.460 4.801 4.340 0.002 0.000 0.268 128 Q C -2.837 173.263 176.000 0.168 0.000 1.015 128 Q CA -1.765 54.197 55.803 0.264 0.000 0.775 128 Q CB 3.356 32.397 28.738 0.504 0.000 1.256 128 Q HN 0.504 8.774 8.270 -0.000 0.000 0.442 129 P HA 0.281 4.701 4.420 -0.000 0.000 0.282 129 P C -1.278 175.712 177.300 -0.516 0.000 1.249 129 P CA -0.235 62.513 63.100 -0.586 0.000 0.806 129 P CB 0.525 31.684 31.700 -0.901 0.000 0.984 130 F N -0.592 118.974 119.950 -0.641 0.000 2.576 130 F HA 0.742 5.269 4.527 0.001 0.000 0.313 130 F C 0.159 175.740 175.800 -0.364 0.000 1.078 130 F CA -1.973 55.774 58.000 -0.422 0.000 0.921 130 F CB 1.081 39.943 39.000 -0.231 0.000 1.232 130 F HN 0.116 8.416 8.300 -0.000 0.000 0.459 131 R N 1.234 121.722 120.500 -0.021 0.000 2.594 131 R HA 0.550 4.891 4.340 0.002 0.000 0.272 131 R C -0.251 176.101 176.300 0.086 0.000 1.074 131 R CA 0.404 56.559 56.100 0.091 0.000 1.105 131 R CB 0.737 31.106 30.300 0.115 0.000 1.008 131 R HN 1.013 9.283 8.270 -0.000 0.000 0.472 140 S N 4.849 120.403 115.700 -0.244 0.000 2.472 140 S HA 0.897 5.367 4.470 0.002 0.000 0.303 140 S C -1.029 173.477 174.600 -0.157 0.000 1.099 140 S CA -0.302 57.723 58.200 -0.291 0.000 1.077 140 S CB 0.964 63.933 63.200 -0.385 0.000 1.031 140 S HN 0.494 8.804 8.310 -0.000 0.000 0.487 141 F N 1.807 121.555 119.950 -0.336 0.000 2.546 141 F HA 0.626 5.154 4.527 0.002 0.000 0.320 141 F C 1.016 176.319 175.800 -0.829 0.000 1.076 141 F CA -1.162 56.482 58.000 -0.592 0.000 0.928 141 F CB 2.324 40.889 39.000 -0.725 0.000 1.189 141 F HN 0.735 9.035 8.300 -0.000 0.000 0.465 142 G N 0.975 109.088 108.800 -1.143 0.000 2.552 142 G HA2 0.615 4.576 3.960 0.002 0.000 0.324 142 G HA3 0.615 4.576 3.960 0.002 0.000 0.324 142 G C -2.279 171.554 174.900 -1.779 0.000 1.217 142 G CA -0.410 43.807 45.100 -1.470 0.000 0.989 142 G HN 0.544 8.834 8.290 -0.000 0.000 0.490 143 Y N -1.046 118.720 120.300 -0.891 0.000 2.504 143 Y HA 0.416 4.967 4.550 0.001 0.000 0.344 143 Y C -0.201 175.478 175.900 -0.368 0.000 1.023 143 Y CA -0.968 56.833 58.100 -0.499 0.000 1.020 143 Y CB 2.483 40.781 38.460 -0.271 0.000 1.282 143 Y HN 0.416 8.696 8.280 -0.000 0.000 0.454 144 H N 3.117 122.214 119.070 0.045 0.000 2.524 144 H HA 0.549 5.106 4.556 0.002 0.000 0.353 144 H C -0.843 174.218 175.328 -0.445 0.000 1.136 144 H CA -0.729 55.134 56.048 -0.308 0.000 1.193 144 H CB 2.255 31.646 29.762 -0.619 0.000 1.558 144 H HN 0.542 8.822 8.280 -0.000 0.000 0.515 145 I N 3.364 123.668 120.570 -0.443 0.000 2.354 145 I HA 0.192 4.363 4.170 0.002 0.000 0.292 145 I C -0.548 175.194 176.117 -0.624 0.000 0.989 145 I CA -0.371 60.665 61.300 -0.441 0.000 1.188 145 I CB 0.788 38.566 38.000 -0.371 0.000 1.342 145 I HN 0.245 8.455 8.210 -0.000 0.000 0.457 146 F N 4.245 123.820 119.950 -0.625 0.000 2.480 146 F HA 0.407 4.936 4.527 0.004 0.000 0.329 146 F C 0.360 175.781 175.800 -0.632 0.000 1.091 146 F CA -0.566 56.989 58.000 -0.742 0.000 0.972 146 F CB 1.744 39.956 39.000 -1.314 0.000 1.150 146 F HN 0.403 8.703 8.300 -0.000 0.000 0.467 147 E N 2.063 122.156 120.200 -0.178 0.000 2.176 147 E HA 0.470 4.821 4.350 0.002 0.000 0.267 147 E C -1.592 174.913 176.600 -0.157 0.000 0.893 147 E CA -0.695 55.617 56.400 -0.147 0.000 0.761 147 E CB 1.860 31.503 29.700 -0.094 0.000 1.133 147 E HN 0.385 8.745 8.360 -0.000 0.000 0.409 148 V N 5.640 125.480 119.914 -0.122 0.000 2.368 148 V HA 0.323 4.444 4.120 0.002 0.000 0.266 148 V C 0.261 176.288 176.094 -0.112 0.000 1.045 148 V CA -0.040 62.204 62.300 -0.094 0.000 0.899 148 V CB 0.643 32.481 31.823 0.026 0.000 1.006 148 V HN 0.662 8.852 8.190 -0.000 0.000 0.470 149 R N 4.121 124.431 120.500 -0.317 0.000 2.943 149 R HA 0.807 5.148 4.340 0.002 0.000 0.246 149 R C -0.582 175.587 176.300 -0.218 0.000 1.201 149 R CA -1.008 54.882 56.100 -0.349 0.000 1.056 149 R CB 1.953 31.895 30.300 -0.596 0.000 1.243 149 R HN 0.532 8.802 8.270 -0.000 0.000 0.498 150 R N 0.359 120.887 120.500 0.048 0.000 2.725 150 R HA 0.375 4.716 4.340 0.002 0.000 0.277 150 R C -1.229 175.278 176.300 0.344 0.000 0.987 150 R CA -0.908 55.328 56.100 0.226 0.000 0.901 150 R CB 2.395 32.778 30.300 0.138 0.000 1.207 150 R HN 0.628 8.898 8.270 -0.000 0.000 0.463 151 K N 1.150 121.732 120.400 0.303 0.000 2.512 151 K HA 0.387 4.708 4.320 0.002 0.000 0.263 151 K C -1.226 175.440 176.600 0.110 0.000 0.966 151 K CA -1.054 55.339 56.287 0.176 0.000 0.851 151 K CB 1.503 34.038 32.500 0.059 0.000 1.395 151 K HN 0.189 8.439 8.250 -0.000 0.000 0.440 152 L N 2.284 123.559 121.223 0.086 0.000 2.455 152 L HA 0.138 4.479 4.340 0.002 0.000 0.272 152 L C -0.134 176.775 176.870 0.064 0.000 1.174 152 L CA 0.521 55.423 54.840 0.103 0.000 0.869 152 L CB 0.286 42.408 42.059 0.106 0.000 1.130 152 L HN 0.527 8.757 8.230 -0.000 0.000 0.474 153 K N 4.018 124.469 120.400 0.085 0.000 2.469 153 K HA -0.077 4.243 4.320 0.002 0.000 0.274 153 K C 1.050 177.580 176.600 -0.117 0.000 0.983 153 K CA 0.147 56.404 56.287 -0.050 0.000 0.974 153 K CB 0.560 32.980 32.500 -0.133 0.000 0.913 153 K HN 0.543 8.793 8.250 -0.000 0.000 0.493 154 K N 2.560 122.865 120.400 -0.158 0.000 2.074 154 K HA -0.210 4.111 4.320 0.002 0.000 0.209 154 K C 1.620 178.094 176.600 -0.211 0.000 1.048 154 K CA 1.887 58.086 56.287 -0.148 0.000 0.926 154 K CB 0.132 32.552 32.500 -0.134 0.000 0.713 154 K HN 0.622 8.872 8.250 -0.000 0.000 0.444 155 E N -0.091 119.869 120.200 -0.401 0.000 2.333 155 E HA -0.198 4.153 4.350 0.002 0.000 0.198 155 E C 1.070 177.397 176.600 -0.454 0.000 1.007 155 E CA 1.181 57.284 56.400 -0.494 0.000 0.845 155 E CB -0.294 28.990 29.700 -0.695 0.000 0.766 155 E HN 0.501 8.861 8.360 -0.000 0.000 0.507 156 F N 1.005 120.949 119.950 -0.010 0.000 2.678 156 F HA 0.235 4.761 4.527 -0.001 0.000 0.305 156 F C 2.165 177.971 175.800 0.010 0.000 1.090 156 F CA -0.530 57.476 58.000 0.010 0.000 1.272 156 F CB 0.285 39.297 39.000 0.020 0.000 1.060 156 F HN -0.147 8.153 8.300 -0.000 0.000 0.576 157 Q N 0.660 120.525 119.800 0.108 0.000 2.181 157 Q HA -0.149 4.192 4.340 0.002 0.000 0.205 157 Q C 2.381 178.423 176.000 0.071 0.000 0.980 157 Q CA 1.474 57.320 55.803 0.072 0.000 0.862 157 Q CB -0.445 28.305 28.738 0.020 0.000 0.905 157 Q HN 0.536 8.806 8.270 -0.000 0.000 0.429 158 G N 0.205 109.048 108.800 0.072 0.000 2.880 158 G HA2 0.110 4.071 3.960 0.002 0.000 0.209 158 G HA3 0.110 4.071 3.960 0.002 0.000 0.209 158 G C 0.514 175.456 174.900 0.071 0.000 1.157 158 G CA -0.253 44.883 45.100 0.060 0.000 0.779 158 G HN 0.054 8.344 8.290 -0.000 0.000 0.539 159 L N 1.752 123.034 121.223 0.100 0.000 2.439 159 L HA 0.266 4.607 4.340 0.002 0.000 0.269 159 L C 0.435 177.339 176.870 0.055 0.000 1.179 159 L CA -0.816 54.073 54.840 0.082 0.000 0.828 159 L CB 0.582 42.698 42.059 0.094 0.000 1.106 159 L HN 0.220 8.450 8.230 -0.000 0.000 0.467 160 D N 0.545 120.968 120.400 0.039 0.000 2.433 160 D HA 0.105 4.746 4.640 0.002 0.000 0.255 160 D C 0.932 177.247 176.300 0.024 0.000 1.226 160 D CA -0.568 53.450 54.000 0.030 0.000 1.015 160 D CB 0.599 41.413 40.800 0.023 0.000 1.091 160 D HN 0.396 8.766 8.370 -0.000 0.000 0.527 161 S N -0.625 115.087 115.700 0.020 0.000 2.365 161 S HA -0.228 4.243 4.470 0.002 0.000 0.225 161 S C 1.591 176.196 174.600 0.009 0.000 1.039 161 S CA 1.801 60.011 58.200 0.016 0.000 1.033 161 S CB -0.441 62.768 63.200 0.015 0.000 0.887 161 S HN 0.581 8.891 8.310 -0.000 0.000 0.447 162 K N 1.412 121.817 120.400 0.008 0.000 2.025 162 K HA -0.053 4.267 4.320 0.002 0.000 0.207 162 K C 1.975 178.574 176.600 -0.003 0.000 1.049 162 K CA 1.449 57.737 56.287 0.002 0.000 0.933 162 K CB -0.285 32.217 32.500 0.004 0.000 0.714 162 K HN 0.441 8.691 8.250 -0.000 0.000 0.438 163 E N -0.170 120.031 120.200 0.002 0.000 2.077 163 E HA -0.191 4.160 4.350 0.002 0.000 0.193 163 E C 1.972 178.558 176.600 -0.023 0.000 0.989 163 E CA 1.249 57.647 56.400 -0.003 0.000 0.800 163 E CB -0.209 29.500 29.700 0.015 0.000 0.746 163 E HN 0.237 8.597 8.360 -0.000 0.000 0.452 164 I N 0.863 121.424 120.570 -0.015 0.000 2.315 164 I HA -0.192 3.979 4.170 0.002 0.000 0.248 164 I C 2.033 178.124 176.117 -0.044 0.000 1.117 164 I CA 1.286 62.564 61.300 -0.037 0.000 1.404 164 I CB -0.040 37.961 38.000 0.000 0.000 1.071 164 I HN -0.132 8.078 8.210 -0.000 0.000 0.419 165 S N 0.310 115.997 115.700 -0.023 0.000 2.402 165 S HA -0.144 4.327 4.470 0.002 0.000 0.229 165 S C 2.124 176.705 174.600 -0.032 0.000 1.021 165 S CA 0.932 59.120 58.200 -0.020 0.000 0.974 165 S CB -0.377 62.818 63.200 -0.008 0.000 0.800 165 S HN 0.444 8.754 8.310 -0.000 0.000 0.484 166 R N 0.582 121.060 120.500 -0.036 0.000 2.115 166 R HA -0.018 4.323 4.340 0.002 0.000 0.230 166 R C 2.193 178.452 176.300 -0.067 0.000 1.111 166 R CA 0.950 57.025 56.100 -0.043 0.000 0.976 166 R CB -0.316 29.963 30.300 -0.035 0.000 0.870 166 R HN 0.327 8.597 8.270 -0.000 0.000 0.445 167 L N 0.570 121.738 121.223 -0.091 0.000 2.072 167 L HA -0.072 4.269 4.340 0.002 0.000 0.205 167 L C 2.081 178.881 176.870 -0.116 0.000 1.079 167 L CA 1.341 56.099 54.840 -0.137 0.000 0.752 167 L CB -0.347 41.578 42.059 -0.224 0.000 0.906 167 L HN -0.064 8.166 8.230 -0.000 0.000 0.436 168 V N 0.104 119.971 119.914 -0.079 0.000 2.407 168 V HA -0.308 3.813 4.120 0.002 0.000 0.248 168 V C 2.639 178.711 176.094 -0.037 0.000 1.055 168 V CA 2.064 64.342 62.300 -0.037 0.000 1.049 168 V CB -0.711 31.102 31.823 -0.017 0.000 0.662 168 V HN 0.547 8.737 8.190 -0.000 0.000 0.455 169 K N 0.419 120.793 120.400 -0.043 0.000 2.026 169 K HA -0.263 4.058 4.320 0.002 0.000 0.208 169 K C 2.233 178.799 176.600 -0.056 0.000 1.048 169 K CA 2.167 58.431 56.287 -0.039 0.000 0.929 169 K CB -0.171 32.308 32.500 -0.035 0.000 0.713 169 K HN 0.621 8.871 8.250 -0.000 0.000 0.439 170 E N -0.169 119.983 120.200 -0.081 0.000 2.112 170 E HA -0.162 4.189 4.350 0.002 0.000 0.190 170 E C 1.478 177.987 176.600 -0.152 0.000 0.979 170 E CA 1.031 57.367 56.400 -0.107 0.000 0.814 170 E CB 0.261 29.890 29.700 -0.118 0.000 0.762 170 E HN 0.077 8.437 8.360 -0.000 0.000 0.460 171 K N -0.489 119.798 120.400 -0.189 0.000 2.365 171 K HA 0.268 4.589 4.320 0.002 0.000 0.195 171 K C -0.121 176.431 176.600 -0.079 0.000 1.079 171 K CA 0.735 56.861 56.287 -0.269 0.000 0.979 171 K CB 1.570 33.706 32.500 -0.607 0.000 0.929 171 K HN 0.271 8.521 8.250 -0.000 0.000 0.523 172 G N 0.323 109.113 108.800 -0.017 0.000 2.650 172 G HA2 -0.183 3.778 3.960 0.002 0.000 0.686 172 G HA3 -0.183 3.778 3.960 0.002 0.000 0.686 172 G C -0.222 174.730 174.900 0.086 0.000 1.205 172 G CA -0.343 44.779 45.100 0.037 0.000 0.781 172 G HN 0.090 8.380 8.290 -0.000 0.000 0.648 173 R N 0.526 121.067 120.500 0.069 0.000 2.105 173 R HA -0.033 4.308 4.340 0.002 0.000 0.239 173 R C 2.017 178.380 176.300 0.105 0.000 1.135 173 R CA 2.126 58.271 56.100 0.076 0.000 0.967 173 R CB -0.240 30.096 30.300 0.060 0.000 0.861 173 R HN 0.612 8.882 8.270 -0.000 0.000 0.442 174 D N -0.069 120.399 120.400 0.113 0.000 2.144 174 D HA -0.168 4.473 4.640 0.002 0.000 0.199 174 D C 1.372 177.758 176.300 0.144 0.000 0.984 174 D CA 0.959 55.029 54.000 0.116 0.000 0.834 174 D CB -0.148 40.715 40.800 0.104 0.000 0.955 174 D HN 0.110 8.480 8.370 -0.000 0.000 0.465 175 F N 0.456 120.434 119.950 0.047 0.000 2.171 175 F HA -0.137 4.388 4.527 -0.003 0.000 0.300 175 F C 1.860 177.745 175.800 0.141 0.000 1.090 175 F CA 0.931 58.975 58.000 0.072 0.000 1.293 175 F CB 0.101 39.116 39.000 0.024 0.000 1.013 175 F HN -0.167 8.133 8.300 -0.000 0.000 0.486 176 V N -0.504 119.504 119.914 0.157 0.000 3.235 176 V HA 0.010 4.131 4.120 0.002 0.000 0.259 176 V C 0.804 177.020 176.094 0.203 0.000 1.133 176 V CA 1.202 63.576 62.300 0.123 0.000 1.128 176 V CB -0.758 31.056 31.823 -0.015 0.000 0.757 176 V HN 0.481 8.671 8.190 -0.000 0.000 0.469 177 T N -0.925 113.704 114.554 0.125 0.000 2.888 177 T HA 0.715 5.066 4.350 0.002 0.000 0.288 177 T C -0.867 173.883 174.700 0.082 0.000 1.063 177 T CA -0.826 61.342 62.100 0.113 0.000 1.010 177 T CB 2.565 71.502 68.868 0.114 0.000 1.214 177 T HN 0.451 8.691 8.240 -0.000 0.000 0.533 178 E N 0.146 120.403 120.200 0.095 0.000 2.292 178 E HA 0.465 4.816 4.350 0.002 0.000 0.272 178 E C -0.991 175.713 176.600 0.173 0.000 0.881 178 E CA -1.038 55.416 56.400 0.090 0.000 0.754 178 E CB 1.879 31.605 29.700 0.044 0.000 1.201 178 E HN 0.864 9.224 8.360 -0.000 0.000 0.425 179 E N 2.740 123.032 120.200 0.153 0.000 2.301 179 E HA 0.387 4.738 4.350 0.002 0.000 0.275 179 E C -1.005 175.741 176.600 0.244 0.000 1.030 179 E CA -0.790 55.725 56.400 0.191 0.000 0.852 179 E CB 0.707 30.493 29.700 0.143 0.000 1.060 179 E HN 0.629 8.989 8.360 -0.000 0.000 0.401 180 Y N -1.344 119.022 120.300 0.111 0.000 2.545 180 Y HA 0.481 5.031 4.550 0.000 0.000 0.348 180 Y C -0.901 175.159 175.900 0.266 0.000 1.002 180 Y CA -1.376 56.774 58.100 0.084 0.000 1.039 180 Y CB 1.365 39.853 38.460 0.048 0.000 1.271 180 Y HN 0.499 8.779 8.280 -0.000 0.000 0.467 181 H N 2.058 121.154 119.070 0.044 0.000 2.556 181 H HA 0.350 4.906 4.556 0.001 0.000 0.310 181 H C -0.989 174.402 175.328 0.105 0.000 1.057 181 H CA -1.114 54.924 56.048 -0.017 0.000 1.264 181 H CB 1.750 31.453 29.762 -0.100 0.000 1.404 181 H HN 0.395 8.675 8.280 -0.000 0.000 0.462 182 K N 2.859 123.360 120.400 0.168 0.000 2.185 182 K HA 0.183 4.504 4.320 0.002 0.000 0.269 182 K C -0.604 176.067 176.600 0.118 0.000 0.987 182 K CA -0.754 55.634 56.287 0.168 0.000 0.865 182 K CB 0.826 33.373 32.500 0.079 0.000 1.090 182 K HN 0.432 8.682 8.250 -0.000 0.000 0.450 183 K N 3.670 124.064 120.400 -0.011 0.000 2.262 183 K HA 0.095 4.416 4.320 0.002 0.000 0.288 183 K C 0.474 176.917 176.600 -0.262 0.000 1.090 183 K CA -0.259 55.795 56.287 -0.389 0.000 0.918 183 K CB 0.616 32.860 32.500 -0.428 0.000 1.139 183 K HN 0.374 8.624 8.250 -0.000 0.000 0.462 184 V N 3.495 123.237 119.914 -0.287 0.000 2.488 184 V HA -0.059 4.062 4.120 0.002 0.000 0.246 184 V C 0.432 176.394 176.094 -0.220 0.000 1.046 184 V CA 0.820 63.008 62.300 -0.186 0.000 1.053 184 V CB -0.259 31.474 31.823 -0.150 0.000 0.679 184 V HN 0.552 8.742 8.190 -0.000 0.000 0.458 185 L N -0.991 120.039 121.223 -0.322 0.000 2.505 185 L HA 0.641 4.982 4.340 0.002 0.000 0.259 185 L C -0.951 175.749 176.870 -0.283 0.000 0.952 185 L CA 0.186 54.828 54.840 -0.331 0.000 0.840 185 L CB 2.416 44.164 42.059 -0.518 0.000 1.358 185 L HN -0.061 8.169 8.230 -0.000 0.000 0.409 186 T N 5.632 120.065 114.554 -0.202 0.000 2.848 186 T HA 0.677 5.028 4.350 0.002 0.000 0.285 186 T C -0.713 173.864 174.700 -0.205 0.000 0.995 186 T CA -0.155 61.885 62.100 -0.101 0.000 0.970 186 T CB 1.083 69.988 68.868 0.062 0.000 0.976 186 T HN 0.442 8.682 8.240 -0.000 0.000 0.441 187 I N 2.681 123.094 120.570 -0.262 0.000 2.418 187 I HA 0.217 4.388 4.170 0.002 0.000 0.287 187 I C 1.470 177.490 176.117 -0.162 0.000 1.008 187 I CA -0.632 60.491 61.300 -0.294 0.000 1.104 187 I CB 2.198 39.861 38.000 -0.562 0.000 1.264 187 I HN 0.771 8.981 8.210 -0.000 0.000 0.438 188 S N 4.343 119.990 115.700 -0.088 0.000 2.383 188 S HA 0.112 4.583 4.470 0.002 0.000 0.227 188 S C 1.165 175.641 174.600 -0.207 0.000 1.026 188 S CA 0.513 58.613 58.200 -0.166 0.000 0.981 188 S CB -0.201 62.700 63.200 -0.498 0.000 0.818 188 S HN 1.129 9.439 8.310 -0.000 0.000 0.472 189 G N 1.241 110.019 108.800 -0.036 0.000 2.693 189 G HA2 -0.151 3.810 3.960 0.002 0.000 0.226 189 G HA3 -0.151 3.810 3.960 0.002 0.000 0.226 189 G C -1.400 173.346 174.900 -0.257 0.000 1.354 189 G CA -0.157 44.904 45.100 -0.066 0.000 0.873 189 G HN 0.459 8.749 8.290 -0.000 0.000 0.562 190 D N 1.020 121.147 120.400 -0.454 0.000 2.308 190 D HA 0.616 5.257 4.640 0.002 0.000 0.251 190 D C 0.750 176.800 176.300 -0.417 0.000 1.127 190 D CA 1.080 54.794 54.000 -0.476 0.000 0.876 190 D CB 1.302 41.808 40.800 -0.491 0.000 1.176 190 D HN 1.347 9.717 8.370 -0.000 0.000 0.446 191 S N 0.772 116.287 115.700 -0.309 0.000 2.688 191 S HA 0.305 4.775 4.470 0.002 0.000 0.266 191 S C -0.961 173.599 174.600 -0.066 0.000 1.061 191 S CA -0.997 57.074 58.200 -0.216 0.000 0.844 191 S CB 0.088 63.181 63.200 -0.178 0.000 1.103 191 S HN 0.232 8.542 8.310 -0.000 0.000 0.471 192 L N 1.534 122.750 121.223 -0.011 0.000 2.479 192 L HA 0.651 4.992 4.340 0.002 0.000 0.248 192 L C 1.342 178.318 176.870 0.177 0.000 1.205 192 L CA -0.504 54.381 54.840 0.075 0.000 0.817 192 L CB 0.057 42.138 42.059 0.037 0.000 1.162 192 L HN 1.043 9.273 8.230 -0.000 0.000 0.486 193 A N 1.228 124.142 122.820 0.157 0.000 2.567 193 A HA 0.176 4.497 4.320 0.002 0.000 0.240 193 A C -0.063 177.627 177.584 0.177 0.000 1.053 193 A CA -0.073 52.043 52.037 0.131 0.000 0.755 193 A CB -0.439 18.543 19.000 -0.031 0.000 0.978 193 A HN 0.519 8.669 8.150 -0.000 0.000 0.507 194 L N 2.448 123.874 121.223 0.339 0.000 2.417 194 L HA 0.114 4.455 4.340 0.002 0.000 0.268 194 L C 0.346 177.253 176.870 0.062 0.000 1.158 194 L CA -0.568 54.380 54.840 0.179 0.000 0.819 194 L CB 0.396 42.572 42.059 0.195 0.000 1.112 194 L HN 0.659 8.889 8.230 -0.000 0.000 0.458 195 D N 3.585 123.996 120.400 0.017 0.000 2.458 195 D HA 0.012 4.653 4.640 0.002 0.000 0.243 195 D C -1.498 174.787 176.300 -0.026 0.000 1.146 195 D CA -0.865 53.129 54.000 -0.010 0.000 0.877 195 D CB 1.327 42.114 40.800 -0.021 0.000 1.176 195 D HN 0.300 8.670 8.370 -0.000 0.000 0.461 196 P HA -0.179 4.241 4.420 -0.000 0.000 0.218 196 P C 1.212 178.488 177.300 -0.040 0.000 1.146 196 P CA 0.980 64.062 63.100 -0.030 0.000 0.813 196 P CB 0.305 31.989 31.700 -0.026 0.000 0.778 197 E N -0.169 120.005 120.200 -0.043 0.000 2.150 197 E HA -0.244 4.107 4.350 0.002 0.000 0.193 197 E C 1.891 178.446 176.600 -0.075 0.000 0.985 197 E CA 0.972 57.342 56.400 -0.050 0.000 0.814 197 E CB -0.096 29.579 29.700 -0.042 0.000 0.752 197 E HN 0.071 8.431 8.360 -0.000 0.000 0.466 198 E N 0.661 120.800 120.200 -0.101 0.000 2.107 198 E HA -0.118 4.233 4.350 0.002 0.000 0.191 198 E C 2.062 178.580 176.600 -0.137 0.000 0.982 198 E CA 1.473 57.767 56.400 -0.177 0.000 0.809 198 E CB -0.152 29.365 29.700 -0.306 0.000 0.756 198 E HN 0.586 8.946 8.360 -0.000 0.000 0.459 199 I N -1.939 118.581 120.570 -0.083 0.000 3.228 199 I HA 0.166 4.336 4.170 0.002 0.000 0.279 199 I C 1.239 177.321 176.117 -0.057 0.000 1.221 199 I CA -0.274 61.002 61.300 -0.040 0.000 1.458 199 I CB -0.211 37.787 38.000 -0.002 0.000 1.105 199 I HN -0.166 8.044 8.210 -0.000 0.000 0.445 200 R N 2.434 122.899 120.500 -0.057 0.000 2.523 200 R HA 0.117 4.458 4.340 0.002 0.000 0.281 200 R C 1.160 177.427 176.300 -0.055 0.000 0.969 200 R CA 1.524 57.596 56.100 -0.048 0.000 1.093 200 R CB 0.070 30.346 30.300 -0.039 0.000 0.917 200 R HN 0.648 8.918 8.270 -0.000 0.000 0.408 201 G N 2.281 111.057 108.800 -0.040 0.000 2.217 201 G HA2 -0.286 3.675 3.960 0.002 0.000 0.246 201 G HA3 -0.286 3.675 3.960 0.002 0.000 0.246 201 G C 0.259 175.130 174.900 -0.048 0.000 0.990 201 G CA 0.344 45.426 45.100 -0.030 0.000 0.627 201 G HN 0.739 9.029 8.290 -0.000 0.000 0.522 202 T N 0.753 115.261 114.554 -0.076 0.000 2.851 202 T HA 0.433 4.784 4.350 0.002 0.000 0.298 202 T C 1.541 176.204 174.700 -0.062 0.000 0.977 202 T CA 0.710 62.753 62.100 -0.096 0.000 1.126 202 T CB 0.643 69.452 68.868 -0.098 0.000 0.916 202 T HN 0.358 8.598 8.240 -0.000 0.000 0.529 203 E N 3.363 123.524 120.200 -0.065 0.000 2.268 203 E HA 0.095 4.446 4.350 0.002 0.000 0.195 203 E C 0.392 176.972 176.600 -0.035 0.000 0.995 203 E CA 0.478 56.856 56.400 -0.035 0.000 0.836 203 E CB 0.298 29.983 29.700 -0.026 0.000 0.763 203 E HN 0.418 8.778 8.360 -0.000 0.000 0.491 204 L N 1.437 122.623 121.223 -0.063 0.000 2.528 204 L HA 0.291 4.632 4.340 0.002 0.000 0.267 204 L C -1.786 175.034 176.870 -0.084 0.000 0.961 204 L CA -0.754 54.050 54.840 -0.059 0.000 0.866 204 L CB 1.698 43.723 42.059 -0.058 0.000 1.248 204 L HN 0.006 8.236 8.230 -0.000 0.000 0.404 205 L N 6.145 127.336 121.223 -0.053 0.000 2.296 205 L HA 0.607 4.947 4.340 0.002 0.000 0.286 205 L C -0.957 175.884 176.870 -0.048 0.000 1.023 205 L CA 0.105 54.922 54.840 -0.038 0.000 0.812 205 L CB 1.423 43.488 42.059 0.009 0.000 1.223 205 L HN 0.444 8.674 8.230 -0.000 0.000 0.421 206 I N 5.258 125.775 120.570 -0.088 0.000 2.420 206 I HA 0.319 4.490 4.170 0.002 0.000 0.282 206 I C -0.995 175.158 176.117 0.060 0.000 1.019 206 I CA -0.483 60.730 61.300 -0.146 0.000 1.130 206 I CB 1.022 38.776 38.000 -0.409 0.000 1.262 206 I HN 0.680 8.890 8.210 -0.000 0.000 0.454 207 H N 4.529 123.689 119.070 0.151 0.000 2.572 207 H HA 0.362 4.919 4.556 0.001 0.000 0.359 207 H C -0.462 175.014 175.328 0.248 0.000 1.134 207 H CA -0.787 55.392 56.048 0.218 0.000 1.187 207 H CB 1.668 31.468 29.762 0.064 0.000 1.597 207 H HN 0.653 8.933 8.280 -0.000 0.000 0.524 208 E N 2.457 122.703 120.200 0.076 0.000 2.398 208 E HA 0.139 4.490 4.350 0.002 0.000 0.263 208 E C -0.765 175.900 176.600 0.108 0.000 1.046 208 E CA -0.468 55.803 56.400 -0.215 0.000 0.908 208 E CB 0.999 30.451 29.700 -0.413 0.000 0.963 208 E HN 0.461 8.821 8.360 -0.000 0.000 0.431 209 C N 4.511 123.807 119.300 -0.007 0.000 3.370 209 C HA 0.257 4.718 4.460 0.002 0.000 0.190 209 C C 1.141 176.077 174.990 -0.090 0.000 1.647 209 C CA -0.174 58.835 59.018 -0.016 0.000 1.277 209 C CB -1.163 26.547 27.740 -0.050 0.000 2.037 209 C HN 0.926 9.156 8.230 -0.000 0.000 0.537 210 T N 1.210 115.721 114.554 -0.072 0.000 2.720 210 T HA -0.033 4.318 4.350 0.002 0.000 0.268 210 T C 0.270 174.623 174.700 -0.578 0.000 1.037 210 T CA 1.727 63.633 62.100 -0.322 0.000 1.144 210 T CB -0.137 68.432 68.868 -0.497 0.000 0.864 210 T HN 0.559 8.799 8.240 -0.000 0.000 0.444 211 F N -0.590 119.251 119.950 -0.182 0.000 2.492 211 F HA 0.504 5.032 4.527 0.001 0.000 0.327 211 F C 0.803 176.218 175.800 -0.641 0.000 1.079 211 F CA -1.040 56.700 58.000 -0.434 0.000 0.967 211 F CB 1.399 40.316 39.000 -0.138 0.000 1.169 211 F HN -0.219 8.081 8.300 -0.000 0.000 0.472 212 L N 0.392 120.984 121.223 -1.052 0.000 2.590 212 L HA 0.192 4.533 4.340 0.002 0.000 0.227 212 L C -0.225 176.550 176.870 -0.158 0.000 1.099 212 L CA 0.617 55.138 54.840 -0.531 0.000 0.872 212 L CB 0.212 41.980 42.059 -0.485 0.000 1.088 212 L HN 0.565 8.795 8.230 -0.000 0.000 0.479 213 D N -0.284 120.084 120.400 -0.052 0.000 2.686 213 D HA 0.269 4.910 4.640 0.002 0.000 0.249 213 D C 0.536 176.876 176.300 0.067 0.000 1.260 213 D CA -0.036 54.024 54.000 0.100 0.000 0.910 213 D CB 2.394 43.325 40.800 0.218 0.000 1.323 213 D HN -0.020 8.350 8.370 -0.000 0.000 0.561 214 A N 4.564 127.377 122.820 -0.012 0.000 2.076 214 A HA -0.175 4.146 4.320 0.002 0.000 0.220 214 A C 2.024 179.520 177.584 -0.146 0.000 1.160 214 A CA 0.999 52.965 52.037 -0.118 0.000 0.653 214 A CB -0.184 18.767 19.000 -0.082 0.000 0.801 214 A HN 0.660 8.810 8.150 -0.000 0.000 0.455 215 R N -0.531 119.937 120.500 -0.053 0.000 2.119 215 R HA -0.167 4.174 4.340 0.002 0.000 0.246 215 R C 0.004 176.259 176.300 -0.075 0.000 1.146 215 R CA 1.545 57.617 56.100 -0.047 0.000 0.962 215 R CB -0.276 30.025 30.300 0.001 0.000 0.863 215 R HN 0.371 8.641 8.270 -0.000 0.000 0.442 216 D N 0.102 120.475 120.400 -0.046 0.000 2.736 216 D HA 0.073 4.714 4.640 0.002 0.000 0.293 216 D C -0.918 175.266 176.300 -0.193 0.000 1.241 216 D CA -0.065 53.909 54.000 -0.043 0.000 0.965 216 D CB 0.209 41.057 40.800 0.080 0.000 0.992 216 D HN -0.036 8.334 8.370 -0.000 0.000 0.510 217 R N 2.357 122.591 120.500 -0.443 0.000 2.415 217 R HA 0.257 4.598 4.340 0.002 0.000 0.292 217 R C 0.563 176.662 176.300 -0.335 0.000 1.295 217 R CA -0.442 55.226 56.100 -0.721 0.000 1.137 217 R CB 0.215 29.848 30.300 -1.111 0.000 1.135 217 R HN 0.130 8.400 8.270 -0.000 0.000 0.560 218 R N 1.711 122.048 120.500 -0.273 0.000 2.193 218 R HA -0.077 4.264 4.340 0.002 0.000 0.229 218 R C -0.251 175.599 176.300 -0.751 0.000 1.110 218 R CA 1.366 57.146 56.100 -0.533 0.000 0.988 218 R CB 0.045 29.927 30.300 -0.697 0.000 0.871 218 R HN 0.430 8.700 8.270 -0.000 0.000 0.458 219 Y N -0.435 119.882 120.300 0.028 0.000 2.396 219 Y HA 0.260 4.811 4.550 0.002 0.000 0.332 219 Y C -0.415 175.506 175.900 0.035 0.000 1.034 219 Y CA -1.184 56.939 58.100 0.039 0.000 1.057 219 Y CB 1.591 40.097 38.460 0.077 0.000 1.220 219 Y HN -0.329 7.951 8.280 -0.000 0.000 0.440 220 K N 3.691 124.177 120.400 0.143 0.000 2.081 220 K HA 0.097 4.418 4.320 0.002 0.000 0.230 220 K C -0.178 176.460 176.600 0.063 0.000 1.199 220 K CA 0.056 56.387 56.287 0.072 0.000 1.130 220 K CB -0.221 32.298 32.500 0.032 0.000 1.386 220 K HN 0.652 8.902 8.250 -0.000 0.000 0.280 221 N N 0.754 119.500 118.700 0.077 0.000 2.143 221 N HA 0.027 4.767 4.740 0.002 0.000 0.222 221 N C -0.214 175.056 175.510 -0.400 0.000 1.264 221 N CA -0.155 52.821 53.050 -0.123 0.000 0.897 221 N CB 0.751 39.180 38.487 -0.097 0.000 1.092 221 N HN 0.320 8.700 8.380 -0.000 0.000 0.516 222 H N 0.343 119.537 119.070 0.208 0.000 2.961 222 H HA 0.580 5.137 4.556 0.002 0.000 0.371 222 H C -0.768 174.711 175.328 0.251 0.000 1.190 222 H CA -0.855 55.335 56.048 0.236 0.000 1.138 222 H CB 2.523 32.512 29.762 0.380 0.000 1.816 222 H HN 0.059 8.339 8.280 -0.000 0.000 0.551 223 A N 1.179 124.195 122.820 0.326 0.000 2.304 223 A HA 0.693 5.014 4.320 0.002 0.000 0.301 223 A C -0.028 177.690 177.584 0.224 0.000 1.132 223 A CA -0.144 52.026 52.037 0.223 0.000 0.819 223 A CB 0.475 19.599 19.000 0.208 0.000 1.094 223 A HN 0.721 8.871 8.150 -0.000 0.000 0.492 224 A N 1.242 124.129 122.820 0.111 0.000 2.303 224 A HA 0.552 4.873 4.320 0.002 0.000 0.317 224 A C 1.072 178.621 177.584 -0.059 0.000 1.149 224 A CA -0.358 51.713 52.037 0.056 0.000 0.822 224 A CB 0.250 19.259 19.000 0.014 0.000 1.131 224 A HN 1.269 9.419 8.150 -0.000 0.000 0.493 225 I N 0.656 121.148 120.570 -0.130 0.000 2.151 225 I HA -0.273 3.898 4.170 0.002 0.000 0.243 225 I C 2.143 178.056 176.117 -0.339 0.000 1.080 225 I CA 2.655 63.791 61.300 -0.272 0.000 1.339 225 I CB -0.119 37.673 38.000 -0.347 0.000 1.039 225 I HN 0.921 9.131 8.210 -0.000 0.000 0.409 226 D N 0.552 120.856 120.400 -0.159 0.000 2.123 226 D HA -0.294 4.347 4.640 0.002 0.000 0.196 226 D C 1.767 178.032 176.300 -0.059 0.000 0.992 226 D CA 1.912 55.904 54.000 -0.014 0.000 0.833 226 D CB -0.855 40.033 40.800 0.147 0.000 0.954 226 D HN 0.578 8.948 8.370 -0.000 0.000 0.455 227 E N 0.483 120.643 120.200 -0.067 0.000 2.051 227 E HA -0.115 4.236 4.350 0.002 0.000 0.192 227 E C 2.508 179.028 176.600 -0.134 0.000 0.991 227 E CA 1.163 57.522 56.400 -0.068 0.000 0.799 227 E CB -0.128 29.545 29.700 -0.045 0.000 0.748 227 E HN 0.165 8.525 8.360 -0.000 0.000 0.449 228 V N 1.547 121.332 119.914 -0.216 0.000 2.295 228 V HA -0.280 3.841 4.120 0.002 0.000 0.246 228 V C 2.337 178.263 176.094 -0.279 0.000 1.049 228 V CA 1.561 63.640 62.300 -0.368 0.000 1.024 228 V CB -0.404 31.148 31.823 -0.453 0.000 0.648 228 V HN 0.338 8.528 8.190 -0.000 0.000 0.447 229 M N -0.456 118.988 119.600 -0.260 0.000 2.279 229 M HA -0.161 4.320 4.480 0.002 0.000 0.264 229 M C 2.161 178.414 176.300 -0.079 0.000 1.062 229 M CA 1.561 56.749 55.300 -0.187 0.000 1.099 229 M CB -1.135 31.310 32.600 -0.259 0.000 1.394 229 M HN 0.440 8.730 8.290 -0.000 0.000 0.426 230 E N 0.606 120.765 120.200 -0.068 0.000 2.031 230 E HA -0.100 4.251 4.350 0.002 0.000 0.193 230 E C 2.010 178.582 176.600 -0.046 0.000 0.994 230 E CA 1.989 58.369 56.400 -0.033 0.000 0.800 230 E CB -0.086 29.597 29.700 -0.028 0.000 0.752 230 E HN 0.341 8.701 8.360 -0.000 0.000 0.447 231 S N -0.638 115.016 115.700 -0.076 0.000 2.368 231 S HA -0.121 4.350 4.470 0.002 0.000 0.225 231 S C 2.041 176.605 174.600 -0.059 0.000 1.030 231 S CA 1.100 59.261 58.200 -0.065 0.000 0.999 231 S CB -0.298 62.855 63.200 -0.080 0.000 0.844 231 S HN 0.159 8.469 8.310 -0.000 0.000 0.459 232 V N 2.031 121.898 119.914 -0.079 0.000 2.392 232 V HA -0.208 3.913 4.120 0.002 0.000 0.249 232 V C 2.366 178.440 176.094 -0.032 0.000 1.059 232 V CA 1.771 64.037 62.300 -0.057 0.000 1.051 232 V CB -0.546 31.236 31.823 -0.069 0.000 0.658 232 V HN 0.436 8.626 8.190 -0.000 0.000 0.455 233 K N 0.355 120.739 120.400 -0.027 0.000 1.973 233 K HA -0.134 4.187 4.320 0.002 0.000 0.210 233 K C 2.310 178.902 176.600 -0.014 0.000 1.045 233 K CA 1.457 57.738 56.287 -0.011 0.000 0.937 233 K CB -0.455 32.045 32.500 -0.000 0.000 0.721 233 K HN 0.355 8.605 8.250 -0.000 0.000 0.438 234 A N 1.246 124.056 122.820 -0.018 0.000 1.958 234 A HA -0.110 4.211 4.320 0.002 0.000 0.221 234 A C 1.391 178.964 177.584 -0.019 0.000 1.178 234 A CA 1.903 53.929 52.037 -0.017 0.000 0.642 234 A CB -0.812 18.177 19.000 -0.020 0.000 0.816 234 A HN 0.551 8.701 8.150 -0.000 0.000 0.453 235 A N -1.711 121.095 122.820 -0.022 0.000 2.301 235 A HA 0.546 4.867 4.320 0.002 0.000 0.287 235 A C 1.064 178.637 177.584 -0.019 0.000 1.274 235 A CA 0.105 52.128 52.037 -0.023 0.000 0.865 235 A CB 0.008 18.992 19.000 -0.027 0.000 1.324 235 A HN 0.918 9.068 8.150 -0.000 0.000 0.508 236 G N -0.511 108.278 108.800 -0.018 0.000 4.125 236 G HA2 0.449 4.410 3.960 0.002 0.000 0.301 236 G HA3 0.449 4.410 3.960 0.002 0.000 0.301 236 G C -0.229 174.664 174.900 -0.013 0.000 1.273 236 G CA -0.092 45.000 45.100 -0.014 0.000 1.095 236 G HN 0.520 8.810 8.290 -0.000 0.000 0.582 237 V N 1.468 121.373 119.914 -0.015 0.000 2.458 237 V HA -0.006 4.115 4.120 0.002 0.000 0.287 237 V C 1.669 177.759 176.094 -0.007 0.000 1.009 237 V CA 0.189 62.480 62.300 -0.014 0.000 1.091 237 V CB 0.971 32.782 31.823 -0.018 0.000 0.960 237 V HN 0.601 8.791 8.190 -0.000 0.000 0.476 238 K N 6.015 126.413 120.400 -0.004 0.000 1.984 238 K HA -0.044 4.277 4.320 0.002 0.000 0.219 238 K C 0.751 177.356 176.600 0.009 0.000 1.033 238 K CA 0.920 57.209 56.287 0.004 0.000 0.983 238 K CB 0.068 32.571 32.500 0.005 0.000 0.762 238 K HN 0.754 9.004 8.250 -0.000 0.000 0.445 239 K N 0.842 121.248 120.400 0.010 0.000 2.164 239 K HA 0.422 4.743 4.320 0.002 0.000 0.258 239 K C -1.172 175.434 176.600 0.010 0.000 0.951 239 K CA -0.927 55.372 56.287 0.019 0.000 0.844 239 K CB 2.308 34.827 32.500 0.032 0.000 1.099 239 K HN 0.016 8.266 8.250 -0.000 0.000 0.435 240 V N 3.954 123.876 119.914 0.014 0.000 2.709 240 V HA 0.418 4.539 4.120 0.002 0.000 0.308 240 V C -0.575 175.524 176.094 0.008 0.000 1.062 240 V CA -0.891 61.411 62.300 0.004 0.000 0.901 240 V CB 1.748 33.566 31.823 -0.008 0.000 1.003 240 V HN 0.748 8.938 8.190 -0.000 0.000 0.425 241 I N 5.072 125.626 120.570 -0.026 0.000 2.355 241 I HA 0.415 4.586 4.170 0.002 0.000 0.288 241 I C -0.604 175.496 176.117 -0.028 0.000 0.999 241 I CA -0.385 60.863 61.300 -0.088 0.000 1.163 241 I CB 1.502 39.350 38.000 -0.254 0.000 1.316 241 I HN 0.347 8.557 8.210 -0.000 0.000 0.454 242 L N 7.825 129.067 121.223 0.031 0.000 2.292 242 L HA 0.448 4.789 4.340 0.002 0.000 0.284 242 L C -0.388 176.575 176.870 0.155 0.000 1.065 242 L CA -0.387 54.517 54.840 0.107 0.000 0.806 242 L CB 0.530 42.617 42.059 0.047 0.000 1.175 242 L HN 0.580 8.810 8.230 -0.000 0.000 0.431 243 Y N -0.116 120.150 120.300 -0.056 0.000 2.889 243 Y HA 0.384 4.935 4.550 0.002 0.000 0.317 243 Y C 0.646 176.567 175.900 0.035 0.000 1.414 243 Y CA -1.183 56.868 58.100 -0.082 0.000 1.091 243 Y CB 0.744 39.114 38.460 -0.149 0.000 1.358 243 Y HN 0.538 8.818 8.280 -0.000 0.000 0.487 244 H N 0.231 119.111 119.070 -0.316 0.000 2.791 244 H HA -0.149 4.408 4.556 0.002 0.000 0.302 244 H C -1.118 174.054 175.328 -0.261 0.000 1.198 244 H CA 0.892 56.715 56.048 -0.375 0.000 1.145 244 H CB -0.776 28.622 29.762 -0.608 0.000 1.385 244 H HN 0.624 8.904 8.280 -0.000 0.000 0.409 245 I N 1.375 121.829 120.570 -0.193 0.000 2.441 245 I HA 0.021 4.192 4.170 0.002 0.000 0.287 245 I C 1.269 177.285 176.117 -0.168 0.000 1.049 245 I CA 0.329 61.536 61.300 -0.156 0.000 1.381 245 I CB 1.307 39.266 38.000 -0.068 0.000 1.409 245 I HN 0.183 8.393 8.210 -0.000 0.000 0.523 246 S N 3.047 118.674 115.700 -0.123 0.000 2.600 246 S HA 0.122 4.593 4.470 0.002 0.000 0.265 246 S C 1.296 175.912 174.600 0.025 0.000 1.325 246 S CA -0.380 57.790 58.200 -0.051 0.000 1.002 246 S CB 0.866 64.066 63.200 -0.002 0.000 0.921 246 S HN 0.720 9.030 8.310 -0.000 0.000 0.554 247 T N 3.346 117.895 114.554 -0.008 0.000 2.942 247 T HA -0.016 4.335 4.350 0.002 0.000 0.265 247 T C 1.849 176.529 174.700 -0.034 0.000 1.062 247 T CA 0.814 62.894 62.100 -0.033 0.000 1.139 247 T CB -0.189 68.631 68.868 -0.080 0.000 0.883 247 T HN 0.628 8.868 8.240 -0.000 0.000 0.468 248 R N 1.040 121.490 120.500 -0.084 0.000 2.112 248 R HA -0.126 4.215 4.340 0.002 0.000 0.242 248 R C 1.117 177.260 176.300 -0.260 0.000 1.137 248 R CA 1.587 57.542 56.100 -0.240 0.000 0.944 248 R CB -0.778 29.236 30.300 -0.477 0.000 0.857 248 R HN 0.459 8.729 8.270 -0.000 0.000 0.435 249 Y N 0.562 120.851 120.300 -0.017 0.000 2.581 249 Y HA 0.059 4.610 4.550 0.002 0.000 0.346 249 Y C 1.486 177.376 175.900 -0.016 0.000 1.147 249 Y CA -0.549 57.544 58.100 -0.011 0.000 1.353 249 Y CB -0.449 38.003 38.460 -0.013 0.000 1.187 249 Y HN 0.048 8.328 8.280 -0.000 0.000 0.505 250 I N 0.521 121.133 120.570 0.070 0.000 2.151 250 I HA -0.304 3.867 4.170 0.002 0.000 0.243 250 I C 2.260 178.414 176.117 0.061 0.000 1.080 250 I CA 1.796 63.126 61.300 0.051 0.000 1.339 250 I CB 0.075 38.082 38.000 0.011 0.000 1.039 250 I HN 0.183 8.393 8.210 -0.000 0.000 0.409 251 R N -0.396 120.134 120.500 0.050 0.000 2.195 251 R HA 0.145 4.486 4.340 0.002 0.000 0.197 251 R C 2.061 178.390 176.300 0.050 0.000 0.990 251 R CA 0.532 56.661 56.100 0.048 0.000 1.048 251 R CB -0.363 29.956 30.300 0.033 0.000 0.997 251 R HN 0.514 8.784 8.270 -0.000 0.000 0.502 252 Q N 0.707 120.545 119.800 0.064 0.000 2.376 252 Q HA -0.109 4.232 4.340 0.002 0.000 0.211 252 Q C 1.950 177.974 176.000 0.040 0.000 0.986 252 Q CA 0.838 56.682 55.803 0.069 0.000 0.886 252 Q CB -0.197 28.616 28.738 0.126 0.000 0.927 252 Q HN 0.247 8.517 8.270 -0.000 0.000 0.457 253 L N 1.026 122.266 121.223 0.027 0.000 1.965 253 L HA -0.357 3.984 4.340 0.002 0.000 0.226 253 L C 2.567 179.346 176.870 -0.152 0.000 1.083 253 L CA 2.037 56.832 54.840 -0.075 0.000 0.790 253 L CB -0.653 41.391 42.059 -0.025 0.000 0.898 253 L HN 0.271 8.501 8.230 -0.000 0.000 0.439 254 K N -0.264 120.097 120.400 -0.065 0.000 2.001 254 K HA -0.256 4.065 4.320 0.002 0.000 0.223 254 K C 2.102 178.680 176.600 -0.037 0.000 1.055 254 K CA 2.468 58.733 56.287 -0.036 0.000 0.965 254 K CB -0.261 32.266 32.500 0.044 0.000 0.730 254 K HN 0.211 8.461 8.250 -0.000 0.000 0.449 255 S N 0.424 116.121 115.700 -0.005 0.000 2.404 255 S HA -0.226 4.245 4.470 0.002 0.000 0.230 255 S C 2.044 176.645 174.600 0.002 0.000 1.046 255 S CA 1.920 60.121 58.200 0.002 0.000 1.135 255 S CB -0.748 62.459 63.200 0.012 0.000 1.056 255 S HN 0.284 8.594 8.310 -0.000 0.000 0.426 256 V N 1.985 121.908 119.914 0.015 0.000 2.277 256 V HA -0.263 3.858 4.120 0.002 0.000 0.253 256 V C 2.035 178.205 176.094 0.126 0.000 1.067 256 V CA 2.113 64.454 62.300 0.068 0.000 1.047 256 V CB -0.753 31.105 31.823 0.059 0.000 0.649 256 V HN 0.462 8.652 8.190 -0.000 0.000 0.447 257 I N -1.064 119.501 120.570 -0.008 0.000 2.546 257 I HA -0.126 4.045 4.170 0.002 0.000 0.255 257 I C 2.467 178.606 176.117 0.038 0.000 1.163 257 I CA 0.883 62.167 61.300 -0.028 0.000 1.457 257 I CB -0.383 37.442 38.000 -0.291 0.000 1.092 257 I HN 0.230 8.440 8.210 -0.000 0.000 0.434 258 K N 1.294 121.702 120.400 0.015 0.000 2.057 258 K HA -0.116 4.205 4.320 0.002 0.000 0.206 258 K C 1.978 178.586 176.600 0.012 0.000 1.050 258 K CA 1.206 57.506 56.287 0.021 0.000 0.935 258 K CB -0.304 32.203 32.500 0.012 0.000 0.715 258 K HN 0.338 8.588 8.250 -0.000 0.000 0.439 259 K N -0.068 120.323 120.400 -0.015 0.000 1.985 259 K HA -0.141 4.179 4.320 0.002 0.000 0.210 259 K C 2.358 178.887 176.600 -0.118 0.000 1.047 259 K CA 1.615 57.840 56.287 -0.103 0.000 0.932 259 K CB -0.354 32.022 32.500 -0.207 0.000 0.716 259 K HN 0.118 8.368 8.250 -0.000 0.000 0.439 260 Y N 0.966 121.245 120.300 -0.034 0.000 2.274 260 Y HA -0.162 4.389 4.550 0.002 0.000 0.290 260 Y C 2.371 178.259 175.900 -0.020 0.000 1.145 260 Y CA 1.176 59.257 58.100 -0.031 0.000 1.203 260 Y CB -0.105 38.329 38.460 -0.044 0.000 0.984 260 Y HN 0.034 8.314 8.280 -0.000 0.000 0.533 261 R N -0.111 120.466 120.500 0.127 0.000 2.152 261 R HA -0.177 4.164 4.340 0.002 0.000 0.232 261 R C 2.108 178.435 176.300 0.046 0.000 1.117 261 R CA 1.480 57.628 56.100 0.080 0.000 0.981 261 R CB -0.118 30.222 30.300 0.067 0.000 0.870 261 R HN 0.486 8.756 8.270 -0.000 0.000 0.451 262 E N 1.092 121.304 120.200 0.021 0.000 2.030 262 E HA -0.137 4.214 4.350 0.002 0.000 0.189 262 E C 1.272 177.864 176.600 -0.013 0.000 0.974 262 E CA 0.686 57.084 56.400 -0.004 0.000 0.807 262 E CB 0.203 29.887 29.700 -0.026 0.000 0.771 262 E HN 0.280 8.640 8.360 -0.000 0.000 0.451 263 E N -0.211 119.965 120.200 -0.041 0.000 2.396 263 E HA -0.127 4.223 4.350 0.002 0.000 0.200 263 E C 0.276 176.880 176.600 0.006 0.000 1.023 263 E CA 0.731 57.104 56.400 -0.045 0.000 0.857 263 E CB 0.019 29.648 29.700 -0.118 0.000 0.775 263 E HN 0.315 8.675 8.360 -0.000 0.000 0.525 264 M N -0.539 119.081 119.600 0.034 0.000 2.850 264 M HA 0.205 4.686 4.480 0.002 0.000 0.288 264 M C -2.392 173.931 176.300 0.038 0.000 1.450 264 M CA -1.260 54.067 55.300 0.045 0.000 0.555 264 M CB 1.635 34.280 32.600 0.075 0.000 1.507 264 M HN -0.187 8.103 8.290 -0.000 0.000 0.415 265 P HA -0.167 4.253 4.420 -0.000 0.000 0.226 265 P C 0.667 177.981 177.300 0.023 0.000 1.146 265 P CA 1.321 64.435 63.100 0.023 0.000 0.773 265 P CB 0.010 31.719 31.700 0.014 0.000 0.772 266 D N -1.733 118.680 120.400 0.021 0.000 2.367 266 D HA -0.007 4.634 4.640 0.002 0.000 0.207 266 D C 0.246 176.559 176.300 0.022 0.000 1.034 266 D CA 0.332 54.343 54.000 0.019 0.000 0.861 266 D CB -0.096 40.712 40.800 0.013 0.000 0.943 266 D HN -0.004 8.366 8.370 -0.000 0.000 0.515 267 V N 1.584 121.514 119.914 0.027 0.000 2.364 267 V HA 0.123 4.244 4.120 0.002 0.000 0.272 267 V C 0.338 176.454 176.094 0.037 0.000 1.036 267 V CA -0.788 61.528 62.300 0.028 0.000 0.880 267 V CB 1.323 33.163 31.823 0.027 0.000 0.991 267 V HN 0.072 8.262 8.190 -0.000 0.000 0.460 268 E N 5.162 125.384 120.200 0.036 0.000 2.217 268 E HA 0.295 4.646 4.350 0.002 0.000 0.279 268 E C -0.868 175.766 176.600 0.057 0.000 1.068 268 E CA -0.258 56.172 56.400 0.050 0.000 0.882 268 E CB 0.530 30.259 29.700 0.048 0.000 1.039 268 E HN 0.622 8.982 8.360 -0.000 0.000 0.418 269 I N 6.989 127.603 120.570 0.074 0.000 2.359 269 I HA 0.246 4.417 4.170 0.002 0.000 0.284 269 I C -0.181 176.027 176.117 0.153 0.000 1.018 269 I CA -0.420 60.930 61.300 0.082 0.000 1.173 269 I CB 0.584 38.620 38.000 0.061 0.000 1.326 269 I HN 0.349 8.559 8.210 -0.000 0.000 0.462 270 L N 6.646 127.967 121.223 0.162 0.000 2.332 270 L HA 0.646 4.987 4.340 0.002 0.000 0.269 270 L C -0.791 176.239 176.870 0.266 0.000 1.016 270 L CA -0.995 53.993 54.840 0.246 0.000 0.809 270 L CB 1.815 44.018 42.059 0.239 0.000 1.280 270 L HN 0.508 8.738 8.230 -0.000 0.000 0.447 271 Y N -1.248 119.074 120.300 0.037 0.000 2.609 271 Y HA 0.583 5.134 4.550 0.001 0.000 0.336 271 Y C -1.229 174.611 175.900 -0.100 0.000 1.129 271 Y CA -1.368 56.684 58.100 -0.081 0.000 1.040 271 Y CB 1.486 39.928 38.460 -0.030 0.000 1.310 271 Y HN 0.301 8.581 8.280 -0.000 0.000 0.460 272 M N 3.682 123.161 119.600 -0.202 0.000 2.063 272 M HA 0.163 4.644 4.480 0.002 0.000 0.348 272 M C -0.824 175.411 176.300 -0.110 0.000 1.180 272 M CA -0.249 54.906 55.300 -0.243 0.000 1.059 272 M CB 0.686 33.085 32.600 -0.335 0.000 1.544 272 M HN 0.685 8.975 8.290 -0.000 0.000 0.447 273 D N 5.614 125.939 120.400 -0.126 0.000 2.383 273 D HA 0.103 4.744 4.640 0.002 0.000 0.252 273 D C -1.834 174.410 176.300 -0.093 0.000 1.166 273 D CA -1.429 52.562 54.000 -0.014 0.000 0.879 273 D CB 1.562 42.353 40.800 -0.015 0.000 1.164 273 D HN 0.280 8.650 8.370 -0.000 0.000 0.462 274 P HA -0.038 4.382 4.420 -0.000 0.000 0.229 274 P C 0.677 177.977 177.300 -0.000 0.000 1.150 274 P CA 0.868 63.866 63.100 -0.170 0.000 0.765 274 P CB 0.261 31.898 31.700 -0.106 0.000 0.783 275 R N -0.785 119.754 120.500 0.066 0.000 2.334 275 R HA 0.164 4.505 4.340 0.002 0.000 0.212 275 R C 0.696 177.122 176.300 0.210 0.000 0.897 275 R CA 0.309 56.488 56.100 0.132 0.000 1.056 275 R CB 0.181 30.520 30.300 0.064 0.000 1.046 275 R HN 0.296 8.566 8.270 -0.000 0.000 0.513 276 K N -0.720 119.823 120.400 0.238 0.000 2.555 276 K HA 0.312 4.632 4.320 0.002 0.000 0.279 276 K C -0.395 176.396 176.600 0.318 0.000 0.986 276 K CA -1.044 55.389 56.287 0.243 0.000 0.880 276 K CB 1.603 34.167 32.500 0.107 0.000 1.474 276 K HN -0.130 8.120 8.250 -0.000 0.000 0.433 277 V N -0.575 119.513 119.914 0.290 0.000 2.715 277 V HA 0.398 4.519 4.120 0.002 0.000 0.299 277 V C -0.356 175.827 176.094 0.149 0.000 1.054 277 V CA -0.401 62.059 62.300 0.267 0.000 1.077 277 V CB 0.192 32.144 31.823 0.214 0.000 0.972 277 V HN 0.682 8.872 8.190 -0.000 0.000 0.484 278 F N 3.447 123.360 119.950 -0.061 0.000 2.399 278 F HA 0.687 5.215 4.527 0.001 0.000 0.334 278 F C 0.237 176.015 175.800 -0.037 0.000 1.097 278 F CA -0.306 57.639 58.000 -0.092 0.000 1.076 278 F CB 1.268 40.175 39.000 -0.155 0.000 1.162 278 F HN 0.777 9.077 8.300 -0.000 0.000 0.495 279 E N 6.738 126.416 120.200 -0.869 0.000 2.314 279 E HA 0.461 4.812 4.350 0.002 0.000 0.272 279 E C -1.120 174.982 176.600 -0.831 0.000 0.884 279 E CA -0.916 55.148 56.400 -0.561 0.000 0.753 279 E CB 2.893 32.438 29.700 -0.257 0.000 1.213 279 E HN 0.743 9.103 8.360 -0.000 0.000 0.432 280 M N 0.000 119.373 119.600 -0.378 0.000 2.572 280 M HA 0.000 4.481 4.480 0.002 0.000 0.227 280 M CA 0.000 55.173 55.300 -0.212 0.000 0.988 280 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 280 M HN 0.000 8.290 8.290 -0.000 0.000 0.411