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 3cvs_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYTLNWQPPY DWSWMLGFLA ARAVSSVETV ADSYYARSLA VGEYRGVVTA DATA SEQUENCE IPDIARHTLH INLSAGLEPV AAECLAKMSR LFDLQCNPQI VNGALGRLGA DATA SEQUENCE ARPGLRLPGC VDAFEQGVRA ILGQLVSVAM AAKLTARVAQ LYGERLDDFP DATA SEQUENCE EYICFPTPQR LAAADPQALK ALGMPLKRAE ALIHLANAAL EGTLPMTIPG DATA SEQUENCE DVEQAMKTLQ TFPGIGRWTA NYFALRGWQA KDVFLPDDYL IKQRFPGMTP DATA SEQUENCE AQIRRYAERW KPWRSYALLH IWYTEGWQPD EA 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 0.000 176.144 176.300 -0.259 0.000 1.140 1 M CA 0.000 55.150 55.300 -0.251 0.000 0.988 1 M CB 0.000 32.384 32.600 -0.360 0.000 1.302 2 Y N 2.683 122.994 120.300 0.018 0.000 2.301 2 Y HA 0.529 5.068 4.550 -0.018 0.000 0.325 2 Y C 1.063 177.022 175.900 0.100 0.000 1.203 2 Y CA -0.107 58.020 58.100 0.045 0.000 1.255 2 Y CB 0.862 39.350 38.460 0.046 0.000 1.232 2 Y HN 0.247 8.527 8.280 -0.000 0.000 0.501 3 T N 1.819 116.534 114.554 0.268 0.000 2.861 3 T HA 0.793 5.132 4.350 -0.019 0.000 0.287 3 T C -1.101 173.689 174.700 0.150 0.000 1.003 3 T CA -0.869 61.371 62.100 0.232 0.000 0.977 3 T CB 0.671 69.679 68.868 0.232 0.000 0.996 3 T HN 0.520 8.760 8.240 -0.000 0.000 0.448 4 L N 2.813 124.105 121.223 0.115 0.000 2.362 4 L HA 0.551 4.880 4.340 -0.019 0.000 0.271 4 L C -0.086 176.835 176.870 0.085 0.000 1.002 4 L CA -1.160 53.745 54.840 0.107 0.000 0.818 4 L CB 2.098 44.241 42.059 0.140 0.000 1.298 4 L HN 0.719 8.949 8.230 -0.000 0.000 0.420 5 N N 0.953 119.699 118.700 0.076 0.000 2.458 5 N HA 0.628 5.356 4.740 -0.019 0.000 0.271 5 N C -1.328 174.296 175.510 0.190 0.000 1.210 5 N CA -0.364 52.705 53.050 0.031 0.000 0.978 5 N CB 1.126 39.609 38.487 -0.008 0.000 1.206 5 N HN 0.526 8.906 8.380 -0.000 0.000 0.536 6 W N -0.595 120.759 121.300 0.091 0.000 3.213 6 W HA 0.350 4.997 4.660 -0.021 0.000 0.318 6 W C -1.976 174.593 176.519 0.084 0.000 1.248 6 W CA -0.933 56.480 57.345 0.112 0.000 1.187 6 W CB 0.387 29.946 29.460 0.165 0.000 1.403 6 W HN 0.410 8.590 8.180 -0.000 0.000 0.556 7 Q N 2.021 122.090 119.800 0.449 0.000 2.271 7 Q HA 0.590 4.919 4.340 -0.019 0.000 0.258 7 Q C -2.529 173.695 176.000 0.374 0.000 0.936 7 Q CA -1.980 53.966 55.803 0.239 0.000 0.909 7 Q CB 2.133 30.935 28.738 0.106 0.000 1.253 7 Q HN 0.128 8.399 8.270 -0.000 0.000 0.440 8 P HA 0.138 4.558 4.420 -0.000 0.000 0.272 8 P C -2.349 174.969 177.300 0.031 0.000 1.230 8 P CA -0.875 62.296 63.100 0.117 0.000 0.788 8 P CB 0.071 31.657 31.700 -0.191 0.000 0.949 9 P HA 0.270 4.690 4.420 -0.000 0.000 0.283 9 P C -1.718 175.571 177.300 -0.018 0.000 1.271 9 P CA -0.281 62.840 63.100 0.034 0.000 0.841 9 P CB 0.831 32.521 31.700 -0.017 0.000 1.122 10 Y N 0.258 120.438 120.300 -0.200 0.000 2.322 10 Y HA 0.204 4.743 4.550 -0.019 0.000 0.324 10 Y C -0.441 175.165 175.900 -0.490 0.000 1.027 10 Y CA -0.943 56.821 58.100 -0.560 0.000 1.179 10 Y CB 1.003 38.736 38.460 -1.211 0.000 1.136 10 Y HN 0.251 8.531 8.280 -0.000 0.000 0.449 11 D N 5.145 125.359 120.400 -0.310 0.000 2.545 11 D HA -0.026 4.602 4.640 -0.019 0.000 0.227 11 D C 0.463 176.785 176.300 0.036 0.000 1.150 11 D CA 0.195 54.138 54.000 -0.095 0.000 1.046 11 D CB 0.044 40.742 40.800 -0.171 0.000 1.098 11 D HN 0.784 9.154 8.370 -0.000 0.000 0.502 12 W N 1.476 122.906 121.300 0.217 0.000 2.374 12 W HA -0.163 4.487 4.660 -0.018 0.000 0.288 12 W C 2.717 179.315 176.519 0.132 0.000 1.218 12 W CA 0.475 57.906 57.345 0.143 0.000 1.245 12 W CB -0.069 29.338 29.460 -0.088 0.000 1.126 12 W HN 0.285 8.465 8.180 -0.000 0.000 0.545 13 S N -0.708 115.188 115.700 0.327 0.000 2.368 13 S HA -0.256 4.203 4.470 -0.019 0.000 0.225 13 S C 1.486 176.222 174.600 0.228 0.000 1.030 13 S CA 1.626 59.971 58.200 0.242 0.000 0.999 13 S CB -0.628 62.689 63.200 0.195 0.000 0.844 13 S HN 0.450 8.760 8.310 -0.000 0.000 0.459 14 W N 1.341 122.655 121.300 0.023 0.000 2.379 14 W HA -0.075 4.574 4.660 -0.019 0.000 0.307 14 W C 2.179 178.684 176.519 -0.023 0.000 1.200 14 W CA 1.707 59.031 57.345 -0.036 0.000 1.297 14 W CB -0.567 28.806 29.460 -0.145 0.000 1.140 14 W HN 0.356 8.536 8.180 -0.000 0.000 0.507 15 M N 0.831 120.537 119.600 0.177 0.000 2.082 15 M HA -0.237 4.231 4.480 -0.019 0.000 0.258 15 M C 2.018 178.326 176.300 0.013 0.000 1.071 15 M CA 2.126 57.414 55.300 -0.020 0.000 1.103 15 M CB -1.230 31.450 32.600 0.134 0.000 1.307 15 M HN 0.166 8.456 8.290 -0.000 0.000 0.409 16 L N -0.668 120.669 121.223 0.189 0.000 2.127 16 L HA -0.120 4.209 4.340 -0.019 0.000 0.211 16 L C 2.462 179.378 176.870 0.076 0.000 1.089 16 L CA 1.212 56.176 54.840 0.206 0.000 0.757 16 L CB -1.438 40.762 42.059 0.236 0.000 0.899 16 L HN 0.610 8.840 8.230 -0.000 0.000 0.434 17 G N -0.544 108.249 108.800 -0.011 0.000 2.408 17 G HA2 -0.316 3.633 3.960 -0.019 0.000 0.217 17 G HA3 -0.316 3.633 3.960 -0.019 0.000 0.217 17 G C 1.455 176.265 174.900 -0.150 0.000 1.150 17 G CA 0.422 45.479 45.100 -0.072 0.000 0.776 17 G HN 0.309 8.599 8.290 -0.000 0.000 0.542 18 F N 1.059 120.733 119.950 -0.460 0.000 2.146 18 F HA 0.126 4.643 4.527 -0.017 0.000 0.298 18 F C 2.331 177.988 175.800 -0.238 0.000 1.096 18 F CA 1.016 58.727 58.000 -0.483 0.000 1.275 18 F CB -0.138 38.319 39.000 -0.904 0.000 1.008 18 F HN 0.037 8.337 8.300 -0.000 0.000 0.480 19 L N -0.329 120.977 121.223 0.138 0.000 2.156 19 L HA -0.080 4.249 4.340 -0.019 0.000 0.208 19 L C 2.735 179.650 176.870 0.074 0.000 1.095 19 L CA 0.917 55.849 54.840 0.152 0.000 0.770 19 L CB -1.022 41.160 42.059 0.206 0.000 0.914 19 L HN 0.223 8.453 8.230 -0.000 0.000 0.439 20 A N 0.167 123.010 122.820 0.038 0.000 1.898 20 A HA -0.142 4.167 4.320 -0.019 0.000 0.216 20 A C 2.484 180.036 177.584 -0.053 0.000 1.181 20 A CA 1.587 53.628 52.037 0.007 0.000 0.620 20 A CB -0.669 18.330 19.000 -0.001 0.000 0.819 20 A HN 0.368 8.518 8.150 -0.000 0.000 0.442 21 A N -0.684 122.065 122.820 -0.119 0.000 2.070 21 A HA -0.071 4.237 4.320 -0.019 0.000 0.220 21 A C 2.026 179.514 177.584 -0.160 0.000 1.159 21 A CA 1.346 53.291 52.037 -0.153 0.000 0.656 21 A CB -0.278 18.592 19.000 -0.217 0.000 0.800 21 A HN 0.531 8.681 8.150 -0.000 0.000 0.453 22 R N -0.820 119.584 120.500 -0.161 0.000 2.472 22 R HA 0.354 4.682 4.340 -0.019 0.000 0.279 22 R C 0.319 176.609 176.300 -0.016 0.000 0.953 22 R CA 0.313 56.347 56.100 -0.111 0.000 1.088 22 R CB 0.388 30.592 30.300 -0.160 0.000 1.197 22 R HN 0.345 8.615 8.270 -0.000 0.000 0.536 23 A N 1.413 124.234 122.820 0.002 0.000 2.491 23 A HA 0.204 4.512 4.320 -0.019 0.000 0.261 23 A C 0.331 177.936 177.584 0.035 0.000 1.101 23 A CA -0.090 51.971 52.037 0.040 0.000 0.772 23 A CB 0.291 19.306 19.000 0.025 0.000 1.043 23 A HN 0.036 8.186 8.150 -0.000 0.000 0.501 24 V N 4.246 124.202 119.914 0.070 0.000 2.408 24 V HA 0.120 4.228 4.120 -0.019 0.000 0.267 24 V C 0.863 176.993 176.094 0.061 0.000 1.047 24 V CA -0.242 62.107 62.300 0.082 0.000 0.937 24 V CB 0.738 32.654 31.823 0.156 0.000 0.999 24 V HN 0.946 9.136 8.190 -0.000 0.000 0.472 25 S N 3.853 119.568 115.700 0.026 0.000 2.558 25 S HA 0.128 4.587 4.470 -0.019 0.000 0.287 25 S C 1.286 175.888 174.600 0.002 0.000 1.321 25 S CA 0.431 58.628 58.200 -0.005 0.000 1.048 25 S CB 0.596 63.784 63.200 -0.020 0.000 0.844 25 S HN 1.071 9.381 8.310 -0.000 0.000 0.512 26 S N -0.258 115.413 115.700 -0.048 0.000 2.450 26 S HA -0.183 4.275 4.470 -0.019 0.000 0.248 26 S C 1.098 175.746 174.600 0.079 0.000 1.240 26 S CA 1.212 59.382 58.200 -0.051 0.000 1.532 26 S CB -1.222 61.971 63.200 -0.011 0.000 1.941 26 S HN 0.533 8.843 8.310 -0.000 0.000 0.623 27 V N 1.510 121.508 119.914 0.140 0.000 2.490 27 V HA 0.174 4.283 4.120 -0.019 0.000 0.238 27 V C 0.846 177.118 176.094 0.296 0.000 1.056 27 V CA 1.481 63.931 62.300 0.251 0.000 1.075 27 V CB -0.011 31.963 31.823 0.253 0.000 0.746 27 V HN 0.725 8.915 8.190 -0.000 0.000 0.479 28 E N -0.332 119.970 120.200 0.170 0.000 2.312 28 E HA 0.565 4.903 4.350 -0.019 0.000 0.267 28 E C -1.479 175.117 176.600 -0.007 0.000 0.894 28 E CA -0.589 55.848 56.400 0.061 0.000 0.773 28 E CB 2.265 31.938 29.700 -0.045 0.000 1.241 28 E HN 0.108 8.468 8.360 -0.000 0.000 0.432 29 T N 0.950 115.439 114.554 -0.109 0.000 2.861 29 T HA 0.482 4.820 4.350 -0.019 0.000 0.287 29 T C -0.851 173.669 174.700 -0.300 0.000 1.003 29 T CA -0.617 61.405 62.100 -0.129 0.000 0.977 29 T CB 1.536 70.400 68.868 -0.006 0.000 0.996 29 T HN 0.363 8.603 8.240 -0.000 0.000 0.448 30 V N 1.707 121.485 119.914 -0.228 0.000 2.638 30 V HA 0.930 5.038 4.120 -0.019 0.000 0.306 30 V C -0.110 175.829 176.094 -0.258 0.000 1.052 30 V CA -0.809 61.367 62.300 -0.208 0.000 0.885 30 V CB 1.515 33.338 31.823 0.000 0.000 0.999 30 V HN 1.140 9.330 8.190 -0.000 0.000 0.424 31 A N 2.117 124.711 122.820 -0.376 0.000 2.483 31 A HA 0.720 5.028 4.320 -0.019 0.000 0.286 31 A C 0.418 177.948 177.584 -0.089 0.000 1.207 31 A CA -0.368 51.510 52.037 -0.265 0.000 0.764 31 A CB 1.231 19.975 19.000 -0.427 0.000 1.341 31 A HN 0.660 8.810 8.150 -0.000 0.000 0.428 32 D N 0.243 120.644 120.400 0.002 0.000 2.178 32 D HA -0.083 4.546 4.640 -0.019 0.000 0.201 32 D C 1.738 178.079 176.300 0.068 0.000 0.980 32 D CA 2.250 56.281 54.000 0.051 0.000 0.842 32 D CB 0.096 40.933 40.800 0.061 0.000 0.948 32 D HN 0.508 8.878 8.370 -0.000 0.000 0.472 33 S N -1.623 114.140 115.700 0.105 0.000 2.603 33 S HA 0.201 4.660 4.470 -0.019 0.000 0.232 33 S C 0.086 174.800 174.600 0.189 0.000 1.016 33 S CA -0.700 57.572 58.200 0.119 0.000 0.976 33 S CB 0.089 63.369 63.200 0.134 0.000 0.921 33 S HN 0.303 8.613 8.310 -0.000 0.000 0.516 34 Y N -1.735 118.561 120.300 -0.007 0.000 2.713 34 Y HA 0.745 5.283 4.550 -0.019 0.000 0.335 34 Y C -1.749 174.229 175.900 0.131 0.000 1.222 34 Y CA -2.445 55.659 58.100 0.005 0.000 1.061 34 Y CB 0.399 38.853 38.460 -0.009 0.000 1.314 34 Y HN 0.038 8.318 8.280 -0.000 0.000 0.453 35 Y N 1.460 121.796 120.300 0.060 0.000 2.462 35 Y HA 0.903 5.442 4.550 -0.018 0.000 0.346 35 Y C -1.320 174.687 175.900 0.179 0.000 0.976 35 Y CA -0.778 57.370 58.100 0.081 0.000 1.044 35 Y CB 2.013 40.664 38.460 0.318 0.000 1.230 35 Y HN 1.130 9.410 8.280 -0.000 0.000 0.455 36 A N 6.188 128.717 122.820 -0.485 0.000 2.517 36 A HA 0.885 5.194 4.320 -0.019 0.000 0.297 36 A C -1.516 175.843 177.584 -0.375 0.000 1.050 36 A CA -0.857 51.047 52.037 -0.221 0.000 0.694 36 A CB 1.617 20.654 19.000 0.063 0.000 1.277 36 A HN 0.955 9.105 8.150 -0.000 0.000 0.400 37 R N -0.113 120.227 120.500 -0.265 0.000 2.733 37 R HA 0.738 5.067 4.340 -0.019 0.000 0.272 37 R C -0.498 175.647 176.300 -0.258 0.000 1.029 37 R CA -0.166 55.823 56.100 -0.186 0.000 0.888 37 R CB 0.881 31.167 30.300 -0.023 0.000 1.251 37 R HN 0.965 9.235 8.270 -0.000 0.000 0.464 38 S N 0.758 116.382 115.700 -0.126 0.000 2.585 38 S HA 0.531 4.990 4.470 -0.019 0.000 0.273 38 S C -0.229 174.396 174.600 0.042 0.000 1.339 38 S CA -0.663 57.502 58.200 -0.058 0.000 1.028 38 S CB 0.974 64.252 63.200 0.130 0.000 0.906 38 S HN 0.505 8.815 8.310 -0.000 0.000 0.528 39 L N 1.110 122.369 121.223 0.059 0.000 2.493 39 L HA 0.729 5.058 4.340 -0.019 0.000 0.265 39 L C -0.954 175.987 176.870 0.118 0.000 0.954 39 L CA -0.340 54.557 54.840 0.094 0.000 0.844 39 L CB 1.723 43.827 42.059 0.075 0.000 1.302 39 L HN 1.058 9.288 8.230 -0.000 0.000 0.405 40 A N 4.462 127.364 122.820 0.136 0.000 2.335 40 A HA 0.806 5.115 4.320 -0.019 0.000 0.304 40 A C -1.509 176.160 177.584 0.142 0.000 1.118 40 A CA -0.486 51.637 52.037 0.144 0.000 0.757 40 A CB 1.545 20.633 19.000 0.146 0.000 1.188 40 A HN 0.473 8.623 8.150 -0.000 0.000 0.460 41 V N 3.484 123.494 119.914 0.160 0.000 2.340 41 V HA 0.635 4.743 4.120 -0.019 0.000 0.277 41 V C 0.955 177.168 176.094 0.198 0.000 1.017 41 V CA 0.604 63.000 62.300 0.161 0.000 0.820 41 V CB -0.033 31.879 31.823 0.149 0.000 1.028 41 V HN 2.094 10.284 8.190 -0.000 0.000 0.436 42 G N 4.668 113.545 108.800 0.128 0.000 2.527 42 G HA2 -0.216 3.733 3.960 -0.019 0.000 0.268 42 G HA3 -0.216 3.733 3.960 -0.019 0.000 0.268 42 G C 0.444 175.348 174.900 0.006 0.000 1.175 42 G CA 0.329 45.475 45.100 0.076 0.000 0.962 42 G HN 0.538 8.828 8.290 -0.000 0.000 0.560 43 E N 0.481 120.593 120.200 -0.148 0.000 2.489 43 E HA 0.179 4.518 4.350 -0.019 0.000 0.193 43 E C 0.064 176.500 176.600 -0.274 0.000 1.057 43 E CA 0.312 56.577 56.400 -0.225 0.000 0.866 43 E CB -0.001 29.516 29.700 -0.306 0.000 0.916 43 E HN 0.431 8.791 8.360 -0.000 0.000 0.500 44 Y N 0.886 121.216 120.300 0.050 0.000 2.327 44 Y HA 0.336 4.874 4.550 -0.019 0.000 0.336 44 Y C 0.892 176.831 175.900 0.065 0.000 1.035 44 Y CA -0.242 57.891 58.100 0.055 0.000 1.165 44 Y CB 0.864 39.354 38.460 0.050 0.000 1.181 44 Y HN -0.287 7.993 8.280 -0.000 0.000 0.494 45 R N 1.396 122.025 120.500 0.214 0.000 2.867 45 R HA 0.873 5.202 4.340 -0.019 0.000 0.268 45 R C -0.332 176.072 176.300 0.173 0.000 1.014 45 R CA -1.061 55.140 56.100 0.168 0.000 0.946 45 R CB 2.500 32.880 30.300 0.134 0.000 1.208 45 R HN 0.867 9.137 8.270 -0.000 0.000 0.477 46 G N -0.131 108.762 108.800 0.154 0.000 2.336 46 G HA2 0.296 4.245 3.960 -0.019 0.000 0.286 46 G HA3 0.296 4.245 3.960 -0.019 0.000 0.286 46 G C -1.918 173.008 174.900 0.043 0.000 1.269 46 G CA -0.648 44.553 45.100 0.168 0.000 0.873 46 G HN 0.331 8.621 8.290 -0.000 0.000 0.494 47 V N -0.023 119.851 119.914 -0.068 0.000 2.604 47 V HA 0.694 4.803 4.120 -0.019 0.000 0.305 47 V C -0.098 175.886 176.094 -0.183 0.000 1.043 47 V CA -0.711 61.403 62.300 -0.310 0.000 0.888 47 V CB 1.546 32.930 31.823 -0.731 0.000 0.995 47 V HN 0.712 8.902 8.190 -0.000 0.000 0.429 48 V N 3.202 123.034 119.914 -0.137 0.000 2.483 48 V HA 0.635 4.744 4.120 -0.019 0.000 0.295 48 V C 0.063 176.161 176.094 0.008 0.000 1.035 48 V CA -0.243 62.052 62.300 -0.009 0.000 0.896 48 V CB 2.140 34.010 31.823 0.079 0.000 0.986 48 V HN 0.983 9.173 8.190 -0.000 0.000 0.447 49 T N 3.615 118.208 114.554 0.065 0.000 2.881 49 T HA 0.690 5.029 4.350 -0.019 0.000 0.291 49 T C -0.334 174.466 174.700 0.167 0.000 0.990 49 T CA -0.336 61.833 62.100 0.115 0.000 0.976 49 T CB 1.586 70.476 68.868 0.037 0.000 0.970 49 T HN 0.909 9.149 8.240 -0.000 0.000 0.438 50 A N 4.029 126.995 122.820 0.245 0.000 2.287 50 A HA 0.835 5.143 4.320 -0.019 0.000 0.317 50 A C -0.436 177.172 177.584 0.040 0.000 1.220 50 A CA -0.708 51.414 52.037 0.142 0.000 0.835 50 A CB 0.244 19.352 19.000 0.179 0.000 1.180 50 A HN 0.877 9.027 8.150 -0.000 0.000 0.500 51 I N 4.811 125.349 120.570 -0.054 0.000 2.439 51 I HA 0.325 4.484 4.170 -0.019 0.000 0.283 51 I C -2.440 173.492 176.117 -0.309 0.000 1.023 51 I CA -2.148 59.085 61.300 -0.112 0.000 1.100 51 I CB 2.508 40.504 38.000 -0.007 0.000 1.238 51 I HN 0.448 8.658 8.210 -0.000 0.000 0.445 52 P HA 0.119 4.539 4.420 -0.000 0.000 0.279 52 P C -1.091 175.976 177.300 -0.388 0.000 1.239 52 P CA -0.098 62.527 63.100 -0.792 0.000 0.789 52 P CB 1.530 32.058 31.700 -1.953 0.000 0.933 53 D N 3.547 123.808 120.400 -0.232 0.000 2.464 53 D HA 0.135 4.764 4.640 -0.019 0.000 0.243 53 D C 1.223 177.543 176.300 0.034 0.000 1.104 53 D CA -0.596 53.323 54.000 -0.135 0.000 0.883 53 D CB 0.314 40.947 40.800 -0.278 0.000 1.050 53 D HN -0.011 8.359 8.370 -0.000 0.000 0.524 54 I N 2.453 123.119 120.570 0.159 0.000 2.286 54 I HA -0.185 3.974 4.170 -0.019 0.000 0.248 54 I C 2.284 178.522 176.117 0.202 0.000 1.115 54 I CA 0.780 62.282 61.300 0.337 0.000 1.392 54 I CB -1.308 36.853 38.000 0.269 0.000 1.065 54 I HN 0.416 8.626 8.210 -0.000 0.000 0.418 55 A N 0.731 123.588 122.820 0.061 0.000 1.883 55 A HA -0.182 4.126 4.320 -0.019 0.000 0.217 55 A C 2.299 179.787 177.584 -0.160 0.000 1.186 55 A CA 1.384 53.410 52.037 -0.018 0.000 0.624 55 A CB -0.355 18.631 19.000 -0.023 0.000 0.822 55 A HN 0.247 8.397 8.150 -0.000 0.000 0.444 56 R N -1.405 118.981 120.500 -0.191 0.000 2.300 56 R HA 0.095 4.424 4.340 -0.019 0.000 0.199 56 R C -0.501 175.526 176.300 -0.456 0.000 0.920 56 R CA 0.469 56.384 56.100 -0.308 0.000 1.046 56 R CB -0.667 29.515 30.300 -0.198 0.000 0.984 56 R HN 0.839 9.109 8.270 -0.000 0.000 0.493 57 H N -0.388 118.268 119.070 -0.690 0.000 2.819 57 H HA -0.142 4.402 4.556 -0.019 0.000 0.315 57 H C -0.525 173.785 175.328 -1.696 0.000 1.242 57 H CA 0.553 55.690 56.048 -1.519 0.000 1.157 57 H CB -1.093 28.142 29.762 -0.878 0.000 1.451 57 H HN 0.038 8.318 8.280 -0.000 0.000 0.430 58 T N 0.793 114.621 114.554 -1.209 0.000 2.896 58 T HA 0.542 4.881 4.350 -0.019 0.000 0.297 58 T C -1.038 173.558 174.700 -0.174 0.000 1.108 58 T CA -0.783 60.999 62.100 -0.531 0.000 1.004 58 T CB 2.226 70.844 68.868 -0.416 0.000 1.159 58 T HN 0.196 8.436 8.240 -0.000 0.000 0.499 59 L N 2.887 124.064 121.223 -0.076 0.000 2.349 59 L HA 0.536 4.864 4.340 -0.019 0.000 0.278 59 L C -1.044 175.744 176.870 -0.136 0.000 0.996 59 L CA -0.273 54.496 54.840 -0.119 0.000 0.825 59 L CB 0.916 42.995 42.059 0.033 0.000 1.243 59 L HN 0.748 8.978 8.230 -0.000 0.000 0.412 60 H N 5.707 124.754 119.070 -0.037 0.000 2.562 60 H HA 0.554 5.099 4.556 -0.019 0.000 0.314 60 H C -0.567 174.774 175.328 0.021 0.000 1.079 60 H CA -0.779 55.266 56.048 -0.006 0.000 1.349 60 H CB 1.245 30.984 29.762 -0.039 0.000 1.432 60 H HN 0.394 8.674 8.280 -0.000 0.000 0.479 61 I N 2.774 123.474 120.570 0.216 0.000 2.433 61 I HA 0.171 4.330 4.170 -0.019 0.000 0.292 61 I C -0.112 176.128 176.117 0.205 0.000 1.001 61 I CA -0.614 60.804 61.300 0.196 0.000 1.119 61 I CB 1.410 39.536 38.000 0.210 0.000 1.289 61 I HN 0.651 8.861 8.210 -0.000 0.000 0.438 62 N N 6.354 125.140 118.700 0.144 0.000 2.314 62 N HA 0.615 5.344 4.740 -0.019 0.000 0.294 62 N C -1.651 173.923 175.510 0.107 0.000 1.029 62 N CA -0.433 52.682 53.050 0.109 0.000 0.845 62 N CB 1.530 40.033 38.487 0.027 0.000 1.321 62 N HN 0.484 8.864 8.380 -0.000 0.000 0.481 63 L N 1.966 123.275 121.223 0.143 0.000 2.329 63 L HA 0.518 4.847 4.340 -0.019 0.000 0.279 63 L C 0.321 177.248 176.870 0.095 0.000 1.014 63 L CA -1.079 53.830 54.840 0.114 0.000 0.814 63 L CB 1.762 43.914 42.059 0.154 0.000 1.257 63 L HN 0.665 8.895 8.230 -0.000 0.000 0.424 64 S N 1.419 117.168 115.700 0.081 0.000 2.576 64 S HA 0.240 4.699 4.470 -0.019 0.000 0.276 64 S C 1.344 176.040 174.600 0.161 0.000 1.339 64 S CA -0.113 58.183 58.200 0.160 0.000 1.039 64 S CB 1.602 64.970 63.200 0.280 0.000 0.902 64 S HN 0.766 9.076 8.310 -0.000 0.000 0.516 65 A N 3.110 126.025 122.820 0.159 0.000 2.038 65 A HA -0.130 4.178 4.320 -0.019 0.000 0.224 65 A C 2.085 179.742 177.584 0.120 0.000 1.190 65 A CA 2.153 54.261 52.037 0.119 0.000 0.668 65 A CB -1.748 17.311 19.000 0.099 0.000 0.820 65 A HN 1.332 9.482 8.150 -0.000 0.000 0.474 66 G N -1.715 107.176 108.800 0.151 0.000 2.848 66 G HA2 0.260 4.208 3.960 -0.019 0.000 0.208 66 G HA3 0.260 4.208 3.960 -0.019 0.000 0.208 66 G C 1.077 176.085 174.900 0.180 0.000 1.152 66 G CA 0.622 45.829 45.100 0.178 0.000 0.789 66 G HN 0.473 8.763 8.290 -0.000 0.000 0.531 67 L N -0.481 120.808 121.223 0.110 0.000 2.766 67 L HA 0.257 4.586 4.340 -0.019 0.000 0.242 67 L C 1.989 178.836 176.870 -0.037 0.000 1.136 67 L CA -0.123 54.747 54.840 0.051 0.000 0.933 67 L CB 0.341 42.441 42.059 0.069 0.000 1.241 67 L HN -0.013 8.217 8.230 -0.000 0.000 0.522 68 E N 1.007 121.203 120.200 -0.008 0.000 2.118 68 E HA -0.182 4.156 4.350 -0.019 0.000 0.195 68 E C -0.461 176.068 176.600 -0.118 0.000 0.992 68 E CA 1.398 57.793 56.400 -0.008 0.000 0.804 68 E CB -1.092 28.633 29.700 0.041 0.000 0.741 68 E HN 0.406 8.766 8.360 -0.000 0.000 0.458 69 P HA -0.096 4.324 4.420 -0.000 0.000 0.222 69 P C 0.880 177.950 177.300 -0.384 0.000 1.147 69 P CA 1.020 63.872 63.100 -0.413 0.000 0.790 69 P CB 0.120 31.299 31.700 -0.868 0.000 0.780 70 V N -5.531 114.165 119.914 -0.364 0.000 2.854 70 V HA 0.596 4.705 4.120 -0.019 0.000 0.366 70 V C 1.490 177.500 176.094 -0.138 0.000 1.322 70 V CA -0.060 62.116 62.300 -0.206 0.000 1.243 70 V CB -0.511 31.224 31.823 -0.147 0.000 1.337 70 V HN -0.074 8.116 8.190 -0.000 0.000 0.585 71 A N 1.734 124.462 122.820 -0.152 0.000 1.873 71 A HA -0.073 4.236 4.320 -0.019 0.000 0.218 71 A C 2.472 179.903 177.584 -0.256 0.000 1.193 71 A CA 2.737 54.645 52.037 -0.216 0.000 0.629 71 A CB -0.897 17.944 19.000 -0.265 0.000 0.826 71 A HN 1.203 9.353 8.150 -0.000 0.000 0.447 72 A N -0.740 121.958 122.820 -0.203 0.000 1.917 72 A HA -0.253 4.055 4.320 -0.019 0.000 0.219 72 A C 2.046 179.573 177.584 -0.094 0.000 1.182 72 A CA 2.074 54.019 52.037 -0.153 0.000 0.633 72 A CB -0.617 18.329 19.000 -0.090 0.000 0.819 72 A HN 0.695 8.845 8.150 -0.000 0.000 0.448 73 E N -0.984 119.177 120.200 -0.065 0.000 2.150 73 E HA -0.159 4.180 4.350 -0.019 0.000 0.193 73 E C 1.956 178.543 176.600 -0.021 0.000 0.985 73 E CA 1.143 57.526 56.400 -0.027 0.000 0.814 73 E CB -0.243 29.455 29.700 -0.004 0.000 0.752 73 E HN 0.669 9.029 8.360 -0.000 0.000 0.466 74 C N 0.341 119.616 119.300 -0.041 0.000 2.432 74 C HA -0.122 4.327 4.460 -0.019 0.000 0.277 74 C C 2.519 177.501 174.990 -0.013 0.000 1.249 74 C CA 0.500 59.508 59.018 -0.017 0.000 1.725 74 C CB -0.986 26.736 27.740 -0.029 0.000 2.028 74 C HN 0.466 8.696 8.230 -0.000 0.000 0.477 75 L N 1.243 122.424 121.223 -0.070 0.000 2.042 75 L HA -0.184 4.145 4.340 -0.019 0.000 0.210 75 L C 2.888 179.767 176.870 0.017 0.000 1.076 75 L CA 1.766 56.582 54.840 -0.040 0.000 0.749 75 L CB -0.879 41.111 42.059 -0.115 0.000 0.893 75 L HN 0.343 8.573 8.230 -0.000 0.000 0.432 76 A N -0.028 122.792 122.820 0.001 0.000 1.972 76 A HA -0.202 4.107 4.320 -0.019 0.000 0.219 76 A C 2.344 179.945 177.584 0.028 0.000 1.169 76 A CA 1.600 53.649 52.037 0.019 0.000 0.635 76 A CB -0.320 18.685 19.000 0.008 0.000 0.810 76 A HN 0.338 8.488 8.150 -0.000 0.000 0.446 77 K N -1.043 119.373 120.400 0.026 0.000 2.057 77 K HA -0.069 4.240 4.320 -0.019 0.000 0.206 77 K C 2.039 178.655 176.600 0.028 0.000 1.050 77 K CA 1.422 57.722 56.287 0.022 0.000 0.935 77 K CB -0.250 32.268 32.500 0.029 0.000 0.715 77 K HN 0.335 8.585 8.250 -0.000 0.000 0.439 78 M N 0.953 120.602 119.600 0.082 0.000 2.159 78 M HA -0.136 4.332 4.480 -0.019 0.000 0.263 78 M C 2.459 178.879 176.300 0.200 0.000 1.063 78 M CA 1.733 57.134 55.300 0.169 0.000 1.110 78 M CB -1.216 31.538 32.600 0.257 0.000 1.374 78 M HN 0.161 8.451 8.290 -0.000 0.000 0.411 79 S N 0.072 115.862 115.700 0.151 0.000 2.382 79 S HA -0.119 4.339 4.470 -0.019 0.000 0.228 79 S C 2.038 176.694 174.600 0.093 0.000 1.027 79 S CA 0.905 59.200 58.200 0.157 0.000 0.991 79 S CB -0.466 62.804 63.200 0.116 0.000 0.823 79 S HN 0.480 8.790 8.310 -0.000 0.000 0.469 80 R N 0.099 120.613 120.500 0.023 0.000 2.115 80 R HA 0.180 4.508 4.340 -0.019 0.000 0.226 80 R C 2.312 178.538 176.300 -0.123 0.000 1.100 80 R CA 1.021 57.100 56.100 -0.035 0.000 0.980 80 R CB -0.487 29.787 30.300 -0.042 0.000 0.875 80 R HN 0.426 8.696 8.270 -0.000 0.000 0.445 81 L N -0.361 120.745 121.223 -0.195 0.000 2.109 81 L HA -0.013 4.316 4.340 -0.019 0.000 0.207 81 L C 1.024 177.532 176.870 -0.604 0.000 1.086 81 L CA 1.772 56.337 54.840 -0.459 0.000 0.760 81 L CB -0.051 41.622 42.059 -0.644 0.000 0.910 81 L HN -0.031 8.199 8.230 -0.000 0.000 0.437 82 F N -0.247 119.677 119.950 -0.043 0.000 2.641 82 F HA 0.245 4.760 4.527 -0.020 0.000 0.302 82 F C 0.738 176.555 175.800 0.028 0.000 1.098 82 F CA -0.400 57.603 58.000 0.004 0.000 1.318 82 F CB -0.557 38.518 39.000 0.125 0.000 1.035 82 F HN 0.072 8.372 8.300 -0.000 0.000 0.551 83 D N 1.036 121.487 120.400 0.085 0.000 2.686 83 D HA -0.226 4.402 4.640 -0.019 0.000 0.235 83 D C 1.034 177.417 176.300 0.139 0.000 1.160 83 D CA 0.396 54.428 54.000 0.053 0.000 0.645 83 D CB -0.957 39.816 40.800 -0.045 0.000 1.039 83 D HN 0.345 8.715 8.370 -0.000 0.000 0.423 84 L N -0.280 121.072 121.223 0.214 0.000 2.353 84 L HA -0.201 4.128 4.340 -0.019 0.000 0.220 84 L C 2.553 179.537 176.870 0.190 0.000 1.133 84 L CA 1.400 56.400 54.840 0.267 0.000 0.798 84 L CB -0.455 41.769 42.059 0.275 0.000 0.922 84 L HN 0.332 8.562 8.230 -0.000 0.000 0.445 85 Q N -0.217 119.655 119.800 0.121 0.000 2.187 85 Q HA -0.081 4.247 4.340 -0.019 0.000 0.199 85 Q C 1.326 177.354 176.000 0.046 0.000 0.957 85 Q CA 0.498 56.351 55.803 0.084 0.000 0.857 85 Q CB -1.115 27.664 28.738 0.070 0.000 0.929 85 Q HN 0.345 8.615 8.270 -0.000 0.000 0.453 86 C N 2.735 122.046 119.300 0.019 0.000 2.465 86 C HA 0.045 4.493 4.460 -0.019 0.000 0.402 86 C C 0.148 175.071 174.990 -0.110 0.000 1.448 86 C CA 0.062 59.028 59.018 -0.087 0.000 1.589 86 C CB -1.111 26.545 27.740 -0.139 0.000 2.535 86 C HN 0.611 8.841 8.230 -0.000 0.000 0.600 87 N N 7.349 125.930 118.700 -0.199 0.000 2.707 87 N HA 0.284 5.012 4.740 -0.019 0.000 0.235 87 N C -1.220 174.117 175.510 -0.287 0.000 1.028 87 N CA -1.829 51.119 53.050 -0.170 0.000 0.906 87 N CB 1.448 39.856 38.487 -0.131 0.000 1.131 87 N HN 0.526 8.906 8.380 -0.000 0.000 0.509 88 P HA -0.188 4.232 4.420 -0.000 0.000 0.218 88 P C 0.824 177.960 177.300 -0.274 0.000 1.146 88 P CA 1.268 64.178 63.100 -0.317 0.000 0.813 88 P CB 0.610 32.166 31.700 -0.239 0.000 0.778 89 Q N -0.508 119.177 119.800 -0.192 0.000 2.084 89 Q HA -0.088 4.241 4.340 -0.019 0.000 0.202 89 Q C 2.445 178.342 176.000 -0.172 0.000 0.978 89 Q CA 1.148 56.863 55.803 -0.147 0.000 0.844 89 Q CB -0.440 28.244 28.738 -0.090 0.000 0.898 89 Q HN 0.326 8.596 8.270 -0.000 0.000 0.426 90 I N -0.108 120.331 120.570 -0.217 0.000 2.163 90 I HA -0.230 3.929 4.170 -0.019 0.000 0.240 90 I C 2.196 178.092 176.117 -0.369 0.000 1.081 90 I CA 0.849 62.022 61.300 -0.213 0.000 1.353 90 I CB -0.345 37.536 38.000 -0.199 0.000 1.054 90 I HN 0.030 8.240 8.210 -0.000 0.000 0.407 91 V N 1.328 120.831 119.914 -0.684 0.000 2.343 91 V HA -0.239 3.870 4.120 -0.019 0.000 0.247 91 V C 2.073 177.898 176.094 -0.449 0.000 1.051 91 V CA 1.843 63.606 62.300 -0.894 0.000 1.036 91 V CB -0.864 30.231 31.823 -1.213 0.000 0.654 91 V HN 0.456 8.646 8.190 -0.000 0.000 0.451 92 N N 0.920 119.410 118.700 -0.350 0.000 2.354 92 N HA -0.053 4.676 4.740 -0.019 0.000 0.179 92 N C 1.903 177.332 175.510 -0.135 0.000 1.021 92 N CA 1.367 54.277 53.050 -0.233 0.000 0.887 92 N CB -0.407 37.957 38.487 -0.206 0.000 0.974 92 N HN 0.531 8.911 8.380 -0.000 0.000 0.437 93 G N 0.223 108.954 108.800 -0.114 0.000 2.471 93 G HA2 -0.045 3.904 3.960 -0.019 0.000 0.219 93 G HA3 -0.045 3.904 3.960 -0.019 0.000 0.219 93 G C 1.485 176.390 174.900 0.009 0.000 1.125 93 G CA 0.950 46.023 45.100 -0.044 0.000 0.775 93 G HN 0.425 8.715 8.290 -0.000 0.000 0.548 94 A N 0.159 122.996 122.820 0.029 0.000 1.942 94 A HA 0.391 4.699 4.320 -0.019 0.000 0.209 94 A C 2.175 179.854 177.584 0.158 0.000 1.214 94 A CA 0.191 52.316 52.037 0.145 0.000 0.686 94 A CB -0.140 19.064 19.000 0.340 0.000 0.871 94 A HN 0.248 8.398 8.150 -0.000 0.000 0.460 95 L N -0.282 120.982 121.223 0.069 0.000 2.465 95 L HA 0.088 4.417 4.340 -0.019 0.000 0.224 95 L C 1.940 178.830 176.870 0.034 0.000 1.145 95 L CA 0.397 55.258 54.840 0.035 0.000 0.834 95 L CB -1.020 40.911 42.059 -0.214 0.000 0.944 95 L HN 0.634 8.864 8.230 -0.000 0.000 0.451 96 G N 0.848 109.655 108.800 0.011 0.000 2.652 96 G HA2 -0.469 3.479 3.960 -0.019 0.000 0.318 96 G HA3 -0.469 3.479 3.960 -0.019 0.000 0.318 96 G C 1.006 175.898 174.900 -0.014 0.000 1.295 96 G CA 0.855 45.964 45.100 0.016 0.000 0.999 96 G HN 0.369 8.659 8.290 -0.000 0.000 0.548 97 R N -0.295 120.227 120.500 0.037 0.000 2.134 97 R HA -0.171 4.158 4.340 -0.019 0.000 0.248 97 R C 2.775 179.082 176.300 0.012 0.000 1.143 97 R CA 2.608 58.732 56.100 0.040 0.000 0.957 97 R CB -0.571 29.784 30.300 0.092 0.000 0.867 97 R HN 0.677 8.947 8.270 -0.000 0.000 0.441 98 L N 0.194 121.430 121.223 0.023 0.000 2.089 98 L HA -0.125 4.203 4.340 -0.019 0.000 0.213 98 L C 1.840 178.504 176.870 -0.343 0.000 1.079 98 L CA 2.500 57.291 54.840 -0.082 0.000 0.758 98 L CB -0.782 41.168 42.059 -0.182 0.000 0.891 98 L HN 0.381 8.611 8.230 -0.000 0.000 0.433 99 G N -2.804 105.699 108.800 -0.497 0.000 3.277 99 G HA2 0.279 4.227 3.960 -0.019 0.000 0.243 99 G HA3 0.279 4.227 3.960 -0.019 0.000 0.243 99 G C 1.390 176.137 174.900 -0.255 0.000 1.107 99 G CA 0.356 45.009 45.100 -0.745 0.000 0.771 99 G HN 0.554 8.844 8.290 -0.000 0.000 0.544 100 A N 0.989 123.720 122.820 -0.149 0.000 2.024 100 A HA 0.211 4.520 4.320 -0.019 0.000 0.220 100 A C 2.599 180.156 177.584 -0.044 0.000 1.164 100 A CA 2.085 54.077 52.037 -0.076 0.000 0.643 100 A CB -0.303 18.674 19.000 -0.039 0.000 0.806 100 A HN 0.685 8.835 8.150 -0.000 0.000 0.451 101 A N -0.737 122.069 122.820 -0.024 0.000 2.067 101 A HA 0.076 4.385 4.320 -0.019 0.000 0.217 101 A C 1.385 178.959 177.584 -0.018 0.000 1.156 101 A CA 0.745 52.782 52.037 0.000 0.000 0.683 101 A CB -0.009 19.010 19.000 0.032 0.000 0.808 101 A HN 0.486 8.636 8.150 -0.000 0.000 0.455 102 R N -0.711 119.772 120.500 -0.028 0.000 2.627 102 R HA 0.169 4.498 4.340 -0.019 0.000 0.251 102 R C -2.423 173.807 176.300 -0.116 0.000 1.524 102 R CA -1.156 54.880 56.100 -0.107 0.000 1.606 102 R CB 0.589 30.754 30.300 -0.226 0.000 1.396 102 R HN 0.199 8.469 8.270 -0.000 0.000 0.724 103 P HA -0.150 4.270 4.420 -0.000 0.000 0.226 103 P C 0.894 178.066 177.300 -0.214 0.000 1.146 103 P CA 1.239 64.259 63.100 -0.134 0.000 0.773 103 P CB 0.290 31.924 31.700 -0.111 0.000 0.772 104 G N -0.253 108.391 108.800 -0.260 0.000 3.284 104 G HA2 0.101 4.050 3.960 -0.019 0.000 0.236 104 G HA3 0.101 4.050 3.960 -0.019 0.000 0.236 104 G C 0.392 174.941 174.900 -0.583 0.000 1.158 104 G CA -0.185 44.697 45.100 -0.364 0.000 0.774 104 G HN 0.162 8.452 8.290 -0.000 0.000 0.545 105 L N 1.363 122.210 121.223 -0.625 0.000 2.485 105 L HA 0.420 4.748 4.340 -0.019 0.000 0.275 105 L C -0.330 176.128 176.870 -0.688 0.000 1.207 105 L CA 0.502 54.787 54.840 -0.926 0.000 0.855 105 L CB 0.561 41.949 42.059 -1.119 0.000 1.114 105 L HN 0.072 8.302 8.230 -0.000 0.000 0.485 106 R N 3.954 124.070 120.500 -0.642 0.000 2.867 106 R HA 0.445 4.773 4.340 -0.019 0.000 0.268 106 R C -1.085 175.077 176.300 -0.230 0.000 1.014 106 R CA -0.967 54.904 56.100 -0.381 0.000 0.946 106 R CB 1.517 31.438 30.300 -0.633 0.000 1.208 106 R HN 0.680 8.950 8.270 -0.000 0.000 0.477 107 L N 3.834 124.921 121.223 -0.227 0.000 2.295 107 L HA 0.373 4.702 4.340 -0.019 0.000 0.288 107 L C -2.083 174.582 176.870 -0.341 0.000 1.079 107 L CA -1.685 52.944 54.840 -0.353 0.000 0.830 107 L CB 1.229 42.995 42.059 -0.488 0.000 1.200 107 L HN 0.187 8.417 8.230 -0.000 0.000 0.438 108 P HA 0.123 4.543 4.420 -0.000 0.000 0.270 108 P C 0.013 177.058 177.300 -0.425 0.000 1.242 108 P CA -0.000 62.780 63.100 -0.534 0.000 0.768 108 P CB 1.133 32.237 31.700 -0.994 0.000 0.820 109 G N 2.432 111.006 108.800 -0.376 0.000 2.975 109 G HA2 0.516 4.465 3.960 -0.019 0.000 0.159 109 G HA3 0.516 4.465 3.960 -0.019 0.000 0.159 109 G C -0.423 174.290 174.900 -0.311 0.000 1.525 109 G CA -0.114 44.792 45.100 -0.322 0.000 1.075 109 G HN 0.676 8.966 8.290 -0.000 0.000 0.574 110 C N -3.624 115.515 119.300 -0.269 0.000 3.321 110 C HA 0.662 5.111 4.460 -0.019 0.000 0.329 110 C C 0.730 175.617 174.990 -0.171 0.000 1.394 110 C CA -0.356 58.524 59.018 -0.230 0.000 1.291 110 C CB 1.177 28.776 27.740 -0.235 0.000 1.606 110 C HN 0.681 8.911 8.230 -0.000 0.000 0.463 111 V N 0.684 120.523 119.914 -0.125 0.000 3.621 111 V HA 0.300 4.408 4.120 -0.019 0.000 0.285 111 V C -0.036 176.045 176.094 -0.022 0.000 1.346 111 V CA 1.856 64.121 62.300 -0.058 0.000 1.104 111 V CB -0.671 31.144 31.823 -0.014 0.000 0.913 111 V HN 1.023 9.213 8.190 -0.000 0.000 0.432 112 D N -1.960 118.413 120.400 -0.045 0.000 2.726 112 D HA 0.436 5.065 4.640 -0.019 0.000 0.203 112 D C 0.674 176.978 176.300 0.007 0.000 1.297 112 D CA 0.364 54.374 54.000 0.017 0.000 0.863 112 D CB 1.391 42.231 40.800 0.066 0.000 1.669 112 D HN 0.017 8.387 8.370 -0.000 0.000 0.561 113 A N 3.222 126.086 122.820 0.074 0.000 1.892 113 A HA -0.139 4.169 4.320 -0.019 0.000 0.218 113 A C 1.910 179.661 177.584 0.279 0.000 1.188 113 A CA 1.537 53.645 52.037 0.117 0.000 0.631 113 A CB -0.794 18.355 19.000 0.248 0.000 0.822 113 A HN 0.654 8.804 8.150 -0.000 0.000 0.447 114 F N 0.877 120.910 119.950 0.138 0.000 2.046 114 F HA -0.202 4.313 4.527 -0.020 0.000 0.297 114 F C 2.196 178.045 175.800 0.081 0.000 1.123 114 F CA 2.260 60.336 58.000 0.125 0.000 1.199 114 F CB -0.766 38.307 39.000 0.121 0.000 0.972 114 F HN 0.483 8.783 8.300 -0.000 0.000 0.474 115 E N -0.322 119.733 120.200 -0.242 0.000 2.049 115 E HA -0.373 3.965 4.350 -0.019 0.000 0.198 115 E C 2.273 178.585 176.600 -0.479 0.000 1.007 115 E CA 1.677 57.682 56.400 -0.659 0.000 0.809 115 E CB -0.403 28.799 29.700 -0.829 0.000 0.749 115 E HN 0.481 8.841 8.360 -0.000 0.000 0.450 116 Q N 0.111 119.760 119.800 -0.252 0.000 2.135 116 Q HA -0.104 4.225 4.340 -0.019 0.000 0.204 116 Q C 1.947 177.954 176.000 0.011 0.000 0.981 116 Q CA 2.063 57.772 55.803 -0.156 0.000 0.856 116 Q CB -0.849 27.761 28.738 -0.214 0.000 0.902 116 Q HN 0.395 8.665 8.270 -0.000 0.000 0.425 117 G N -0.716 108.158 108.800 0.124 0.000 2.421 117 G HA2 -0.205 3.744 3.960 -0.019 0.000 0.216 117 G HA3 -0.205 3.744 3.960 -0.019 0.000 0.216 117 G C 1.448 176.295 174.900 -0.088 0.000 1.171 117 G CA 1.007 46.100 45.100 -0.011 0.000 0.775 117 G HN 0.313 8.603 8.290 -0.000 0.000 0.543 118 V N 0.735 120.536 119.914 -0.190 0.000 2.343 118 V HA -0.178 3.930 4.120 -0.019 0.000 0.247 118 V C 2.923 179.037 176.094 0.034 0.000 1.051 118 V CA 1.979 64.222 62.300 -0.095 0.000 1.036 118 V CB -0.456 31.321 31.823 -0.077 0.000 0.654 118 V HN 0.325 8.515 8.190 -0.000 0.000 0.451 119 R N -0.027 120.480 120.500 0.011 0.000 2.115 119 R HA -0.042 4.287 4.340 -0.019 0.000 0.230 119 R C 2.425 178.824 176.300 0.166 0.000 1.111 119 R CA 1.273 57.422 56.100 0.081 0.000 0.976 119 R CB -0.503 29.811 30.300 0.022 0.000 0.870 119 R HN 0.540 8.810 8.270 -0.000 0.000 0.445 120 A N 1.374 124.303 122.820 0.181 0.000 1.902 120 A HA -0.122 4.187 4.320 -0.019 0.000 0.217 120 A C 2.124 179.882 177.584 0.290 0.000 1.181 120 A CA 1.139 53.369 52.037 0.322 0.000 0.623 120 A CB -0.376 18.782 19.000 0.262 0.000 0.818 120 A HN 0.149 8.299 8.150 -0.000 0.000 0.443 121 I N -0.351 120.322 120.570 0.173 0.000 2.286 121 I HA -0.187 3.971 4.170 -0.019 0.000 0.245 121 I C 2.068 178.265 176.117 0.135 0.000 1.104 121 I CA 0.909 62.301 61.300 0.153 0.000 1.397 121 I CB -0.294 37.764 38.000 0.097 0.000 1.072 121 I HN 0.241 8.451 8.210 -0.000 0.000 0.417 122 L N 0.548 121.842 121.223 0.119 0.000 2.456 122 L HA -0.076 4.252 4.340 -0.019 0.000 0.224 122 L C 2.036 178.958 176.870 0.085 0.000 1.148 122 L CA 0.888 55.785 54.840 0.095 0.000 0.825 122 L CB -0.716 41.403 42.059 0.100 0.000 0.937 122 L HN 0.324 8.554 8.230 -0.000 0.000 0.450 123 G N -1.018 107.857 108.800 0.125 0.000 3.284 123 G HA2 0.082 4.030 3.960 -0.019 0.000 0.236 123 G HA3 0.082 4.030 3.960 -0.019 0.000 0.236 123 G C 0.427 175.356 174.900 0.048 0.000 1.158 123 G CA -0.372 44.785 45.100 0.095 0.000 0.774 123 G HN 0.291 8.581 8.290 -0.000 0.000 0.545 124 Q N -0.041 119.788 119.800 0.048 0.000 2.304 124 Q HA 0.334 4.662 4.340 -0.019 0.000 0.260 124 Q C 0.443 176.363 176.000 -0.134 0.000 0.965 124 Q CA -0.614 55.147 55.803 -0.069 0.000 0.898 124 Q CB 1.569 30.316 28.738 0.015 0.000 1.196 124 Q HN 0.102 8.372 8.270 -0.000 0.000 0.402 125 L N 2.004 123.080 121.223 -0.246 0.000 3.839 125 L HA -0.255 4.074 4.340 -0.019 0.000 0.416 125 L C -0.942 175.834 176.870 -0.157 0.000 1.195 125 L CA 1.033 55.745 54.840 -0.213 0.000 0.946 125 L CB -1.142 40.820 42.059 -0.163 0.000 1.891 125 L HN 0.498 8.728 8.230 -0.000 0.000 0.963 126 V N -4.211 115.617 119.914 -0.143 0.000 3.181 126 V HA 0.915 5.024 4.120 -0.019 0.000 0.308 126 V C 0.342 176.374 176.094 -0.104 0.000 1.214 126 V CA -0.339 61.899 62.300 -0.104 0.000 1.053 126 V CB 1.762 33.545 31.823 -0.066 0.000 1.069 126 V HN 0.564 8.754 8.190 -0.000 0.000 0.441 127 S N 0.360 116.007 115.700 -0.088 0.000 2.580 127 S HA 0.391 4.850 4.470 -0.019 0.000 0.274 127 S C 1.046 175.593 174.600 -0.089 0.000 1.329 127 S CA 0.113 58.258 58.200 -0.091 0.000 1.036 127 S CB 1.338 64.491 63.200 -0.078 0.000 0.919 127 S HN 1.192 9.502 8.310 -0.000 0.000 0.515 128 V N 2.789 122.634 119.914 -0.115 0.000 2.278 128 V HA -0.295 3.814 4.120 -0.019 0.000 0.251 128 V C 2.961 179.000 176.094 -0.090 0.000 1.062 128 V CA 2.637 64.863 62.300 -0.123 0.000 1.038 128 V CB -1.754 29.958 31.823 -0.185 0.000 0.646 128 V HN 1.052 9.242 8.190 -0.000 0.000 0.447 129 A N -1.293 121.477 122.820 -0.083 0.000 1.969 129 A HA -0.179 4.129 4.320 -0.019 0.000 0.218 129 A C 2.215 179.773 177.584 -0.043 0.000 1.169 129 A CA 2.059 54.059 52.037 -0.062 0.000 0.635 129 A CB -0.391 18.573 19.000 -0.059 0.000 0.810 129 A HN 0.529 8.679 8.150 -0.000 0.000 0.445 130 M N -0.956 118.618 119.600 -0.044 0.000 2.160 130 M HA -0.034 4.434 4.480 -0.019 0.000 0.264 130 M C 2.589 178.879 176.300 -0.017 0.000 1.073 130 M CA 1.190 56.471 55.300 -0.031 0.000 1.142 130 M CB -0.402 32.176 32.600 -0.037 0.000 1.358 130 M HN 0.445 8.735 8.290 -0.000 0.000 0.422 131 A N 0.724 123.534 122.820 -0.017 0.000 1.940 131 A HA -0.119 4.190 4.320 -0.019 0.000 0.219 131 A C 2.342 179.940 177.584 0.024 0.000 1.176 131 A CA 2.044 54.087 52.037 0.010 0.000 0.631 131 A CB -0.890 18.119 19.000 0.014 0.000 0.814 131 A HN 0.506 8.656 8.150 -0.000 0.000 0.446 132 A N 1.010 123.833 122.820 0.005 0.000 1.858 132 A HA -0.196 4.112 4.320 -0.019 0.000 0.216 132 A C 2.120 179.717 177.584 0.021 0.000 1.190 132 A CA 2.117 54.163 52.037 0.014 0.000 0.617 132 A CB -0.575 18.418 19.000 -0.011 0.000 0.827 132 A HN 0.727 8.877 8.150 -0.000 0.000 0.443 133 K N -0.728 119.674 120.400 0.004 0.000 2.057 133 K HA -0.089 4.220 4.320 -0.019 0.000 0.207 133 K C 1.868 178.474 176.600 0.010 0.000 1.049 133 K CA 1.525 57.813 56.287 0.002 0.000 0.931 133 K CB -0.646 31.849 32.500 -0.010 0.000 0.714 133 K HN 0.264 8.514 8.250 -0.000 0.000 0.440 134 L N 2.469 123.700 121.223 0.014 0.000 1.989 134 L HA -0.160 4.169 4.340 -0.019 0.000 0.211 134 L C 2.104 178.997 176.870 0.039 0.000 1.071 134 L CA 2.234 57.087 54.840 0.021 0.000 0.749 134 L CB -0.963 41.110 42.059 0.023 0.000 0.890 134 L HN 0.322 8.552 8.230 -0.000 0.000 0.431 135 T N -0.036 114.556 114.554 0.062 0.000 2.720 135 T HA -0.214 4.125 4.350 -0.019 0.000 0.268 135 T C 1.916 176.658 174.700 0.070 0.000 1.037 135 T CA 1.404 63.565 62.100 0.101 0.000 1.144 135 T CB -0.684 68.285 68.868 0.168 0.000 0.864 135 T HN 0.544 8.784 8.240 -0.000 0.000 0.444 136 A N 2.101 124.954 122.820 0.055 0.000 1.917 136 A HA -0.210 4.099 4.320 -0.019 0.000 0.219 136 A C 2.394 179.976 177.584 -0.003 0.000 1.182 136 A CA 1.711 53.767 52.037 0.031 0.000 0.633 136 A CB -0.554 18.457 19.000 0.019 0.000 0.819 136 A HN 0.484 8.634 8.150 -0.000 0.000 0.448 137 R N -0.766 119.729 120.500 -0.008 0.000 2.070 137 R HA -0.097 4.232 4.340 -0.019 0.000 0.233 137 R C 2.042 178.313 176.300 -0.047 0.000 1.137 137 R CA 1.525 57.606 56.100 -0.031 0.000 0.945 137 R CB -0.897 29.389 30.300 -0.022 0.000 0.845 137 R HN 0.371 8.641 8.270 -0.000 0.000 0.430 138 V N 1.527 121.434 119.914 -0.012 0.000 2.324 138 V HA -0.307 3.801 4.120 -0.019 0.000 0.250 138 V C 2.543 178.610 176.094 -0.045 0.000 1.060 138 V CA 2.069 64.382 62.300 0.022 0.000 1.042 138 V CB -0.858 30.989 31.823 0.041 0.000 0.650 138 V HN 0.462 8.652 8.190 -0.000 0.000 0.450 139 A N -1.094 121.654 122.820 -0.118 0.000 1.877 139 A HA -0.308 4.001 4.320 -0.019 0.000 0.216 139 A C 2.246 179.776 177.584 -0.090 0.000 1.186 139 A CA 2.128 54.058 52.037 -0.178 0.000 0.620 139 A CB -0.538 18.399 19.000 -0.105 0.000 0.822 139 A HN 0.580 8.730 8.150 -0.000 0.000 0.443 140 Q N -1.314 118.442 119.800 -0.073 0.000 2.167 140 Q HA -0.089 4.240 4.340 -0.019 0.000 0.202 140 Q C 1.836 177.760 176.000 -0.126 0.000 0.970 140 Q CA 1.215 56.974 55.803 -0.072 0.000 0.855 140 Q CB -0.120 28.582 28.738 -0.061 0.000 0.911 140 Q HN 0.529 8.799 8.270 -0.000 0.000 0.438 141 L N -0.679 120.413 121.223 -0.219 0.000 2.395 141 L HA -0.067 4.261 4.340 -0.019 0.000 0.218 141 L C 0.210 176.701 176.870 -0.632 0.000 1.130 141 L CA 1.491 56.055 54.840 -0.460 0.000 0.826 141 L CB 0.152 41.824 42.059 -0.644 0.000 0.941 141 L HN 0.248 8.478 8.230 -0.000 0.000 0.451 142 Y N -1.901 118.367 120.300 -0.052 0.000 2.791 142 Y HA 0.475 5.013 4.550 -0.019 0.000 0.263 142 Y C 1.171 177.045 175.900 -0.045 0.000 1.089 142 Y CA -0.433 57.642 58.100 -0.042 0.000 1.253 142 Y CB -0.501 37.933 38.460 -0.043 0.000 1.360 142 Y HN -0.033 8.247 8.280 -0.000 0.000 0.569 143 G N 0.097 108.931 108.800 0.057 0.000 2.588 143 G HA2 0.348 4.296 3.960 -0.019 0.000 0.281 143 G HA3 0.348 4.296 3.960 -0.019 0.000 0.281 143 G C -0.394 174.544 174.900 0.064 0.000 1.236 143 G CA -0.280 44.846 45.100 0.043 0.000 0.969 143 G HN -0.012 8.278 8.290 -0.000 0.000 0.504 144 E N 0.111 120.359 120.200 0.080 0.000 2.183 144 E HA 0.211 4.549 4.350 -0.019 0.000 0.250 144 E C 0.009 176.666 176.600 0.095 0.000 0.901 144 E CA -0.738 55.711 56.400 0.082 0.000 0.741 144 E CB 1.401 31.155 29.700 0.090 0.000 1.182 144 E HN 0.456 8.816 8.360 -0.000 0.000 0.425 145 R N 2.942 123.490 120.500 0.080 0.000 2.640 145 R HA 0.080 4.409 4.340 -0.019 0.000 0.270 145 R C -0.503 175.861 176.300 0.108 0.000 1.024 145 R CA 0.150 56.306 56.100 0.094 0.000 1.085 145 R CB 0.204 30.543 30.300 0.065 0.000 0.963 145 R HN 0.408 8.678 8.270 -0.000 0.000 0.426 146 L N 4.431 125.745 121.223 0.151 0.000 2.290 146 L HA 0.161 4.490 4.340 -0.019 0.000 0.284 146 L C 0.647 177.577 176.870 0.100 0.000 1.078 146 L CA -0.423 54.511 54.840 0.157 0.000 0.815 146 L CB 1.441 43.661 42.059 0.268 0.000 1.162 146 L HN 0.777 9.007 8.230 -0.000 0.000 0.435 147 D N 1.227 121.654 120.400 0.045 0.000 2.144 147 D HA -0.169 4.460 4.640 -0.019 0.000 0.200 147 D C 1.360 177.608 176.300 -0.086 0.000 0.978 147 D CA 1.350 55.345 54.000 -0.007 0.000 0.833 147 D CB 0.108 40.900 40.800 -0.014 0.000 0.961 147 D HN 0.644 9.014 8.370 -0.000 0.000 0.470 148 D N -0.606 119.689 120.400 -0.175 0.000 2.355 148 D HA -0.121 4.508 4.640 -0.019 0.000 0.218 148 D C -0.063 175.660 176.300 -0.963 0.000 1.004 148 D CA 0.144 53.829 54.000 -0.525 0.000 0.880 148 D CB -0.246 40.194 40.800 -0.600 0.000 0.911 148 D HN 0.164 8.534 8.370 -0.000 0.000 0.528 149 F N -0.591 119.421 119.950 0.104 0.000 2.946 149 F HA 0.308 4.824 4.527 -0.019 0.000 0.375 149 F C -1.990 173.902 175.800 0.153 0.000 1.320 149 F CA -2.221 55.873 58.000 0.156 0.000 1.181 149 F CB 1.770 40.913 39.000 0.238 0.000 2.051 149 F HN -0.277 8.023 8.300 -0.000 0.000 0.622 150 P HA -0.268 4.152 4.420 -0.000 0.000 0.219 150 P C 1.416 178.775 177.300 0.100 0.000 1.153 150 P CA 1.876 65.042 63.100 0.109 0.000 0.865 150 P CB 0.263 31.998 31.700 0.059 0.000 0.788 151 E N -2.273 117.977 120.200 0.085 0.000 2.481 151 E HA -0.094 4.245 4.350 -0.019 0.000 0.195 151 E C -0.020 176.516 176.600 -0.107 0.000 1.047 151 E CA 0.493 56.868 56.400 -0.042 0.000 0.867 151 E CB -0.551 29.074 29.700 -0.126 0.000 0.858 151 E HN 0.316 8.676 8.360 -0.000 0.000 0.513 152 Y N 0.795 121.162 120.300 0.111 0.000 2.323 152 Y HA 0.478 5.016 4.550 -0.019 0.000 0.331 152 Y C 0.161 176.121 175.900 0.099 0.000 1.092 152 Y CA -0.962 57.198 58.100 0.100 0.000 1.150 152 Y CB 1.431 39.961 38.460 0.117 0.000 1.200 152 Y HN -0.057 8.223 8.280 -0.000 0.000 0.472 153 I N 3.288 124.019 120.570 0.269 0.000 2.499 153 I HA 0.420 4.578 4.170 -0.019 0.000 0.288 153 I C -0.917 175.318 176.117 0.196 0.000 1.048 153 I CA -0.584 60.826 61.300 0.183 0.000 1.062 153 I CB 0.659 38.722 38.000 0.106 0.000 1.238 153 I HN 0.597 8.807 8.210 -0.000 0.000 0.426 154 C N 6.221 125.627 119.300 0.178 0.000 2.676 154 C HA 0.145 4.593 4.460 -0.019 0.000 0.416 154 C C 0.428 175.542 174.990 0.207 0.000 1.299 154 C CA -0.281 58.855 59.018 0.198 0.000 2.048 154 C CB -0.379 27.465 27.740 0.174 0.000 2.713 154 C HN 0.613 8.843 8.230 -0.000 0.000 0.624 155 F N 3.702 123.728 119.950 0.127 0.000 2.553 155 F HA 0.239 4.756 4.527 -0.018 0.000 0.356 155 F C -1.608 174.287 175.800 0.158 0.000 1.142 155 F CA -1.197 56.878 58.000 0.126 0.000 1.322 155 F CB 0.156 39.221 39.000 0.109 0.000 1.126 155 F HN 0.452 8.752 8.300 -0.000 0.000 0.599 156 P HA 0.024 4.444 4.420 -0.000 0.000 0.264 156 P C -0.745 176.734 177.300 0.299 0.000 1.183 156 P CA 0.057 63.159 63.100 0.003 0.000 0.763 156 P CB 0.291 31.913 31.700 -0.129 0.000 0.807 157 T N 1.053 115.742 114.554 0.225 0.000 2.882 157 T HA 0.256 4.595 4.350 -0.019 0.000 0.287 157 T C -1.904 172.859 174.700 0.104 0.000 1.014 157 T CA -1.786 60.434 62.100 0.200 0.000 1.049 157 T CB 0.577 69.497 68.868 0.087 0.000 1.001 157 T HN 0.128 8.368 8.240 -0.000 0.000 0.525 158 P HA -0.144 4.276 4.420 -0.000 0.000 0.217 158 P C 1.960 179.140 177.300 -0.199 0.000 1.150 158 P CA 0.974 63.764 63.100 -0.517 0.000 0.832 158 P CB 0.032 31.257 31.700 -0.792 0.000 0.787 159 Q N -0.273 119.451 119.800 -0.127 0.000 2.050 159 Q HA -0.177 4.152 4.340 -0.019 0.000 0.202 159 Q C 2.162 178.127 176.000 -0.058 0.000 0.980 159 Q CA 1.450 57.206 55.803 -0.079 0.000 0.840 159 Q CB -1.147 27.561 28.738 -0.050 0.000 0.898 159 Q HN 0.130 8.400 8.270 -0.000 0.000 0.424 160 R N 1.116 121.595 120.500 -0.035 0.000 2.096 160 R HA 0.034 4.362 4.340 -0.019 0.000 0.235 160 R C 2.267 178.471 176.300 -0.160 0.000 1.127 160 R CA 1.120 57.196 56.100 -0.041 0.000 0.968 160 R CB -0.569 29.745 30.300 0.024 0.000 0.861 160 R HN 0.357 8.627 8.270 -0.000 0.000 0.440 161 L N -0.574 120.571 121.223 -0.130 0.000 2.418 161 L HA 0.137 4.466 4.340 -0.019 0.000 0.218 161 L C 2.099 178.892 176.870 -0.129 0.000 1.125 161 L CA 0.663 55.382 54.840 -0.202 0.000 0.835 161 L CB -0.244 41.838 42.059 0.038 0.000 0.953 161 L HN 0.289 8.519 8.230 -0.000 0.000 0.454 162 A N 0.130 122.899 122.820 -0.085 0.000 1.897 162 A HA 0.077 4.386 4.320 -0.019 0.000 0.215 162 A C 1.694 179.238 177.584 -0.067 0.000 1.181 162 A CA 1.091 53.089 52.037 -0.064 0.000 0.620 162 A CB -0.351 18.606 19.000 -0.071 0.000 0.821 162 A HN 0.274 8.424 8.150 -0.000 0.000 0.443 163 A N -0.088 122.687 122.820 -0.076 0.000 3.168 163 A HA 0.645 4.953 4.320 -0.019 0.000 0.260 163 A C 0.291 177.830 177.584 -0.074 0.000 1.598 163 A CA 0.396 52.402 52.037 -0.053 0.000 1.285 163 A CB -1.220 17.762 19.000 -0.030 0.000 1.149 163 A HN 1.072 9.222 8.150 -0.000 0.000 0.630 164 A N 0.604 123.363 122.820 -0.101 0.000 2.414 164 A HA 0.595 4.904 4.320 -0.019 0.000 0.306 164 A C -0.747 176.834 177.584 -0.004 0.000 1.054 164 A CA -0.621 51.348 52.037 -0.115 0.000 0.724 164 A CB 0.775 19.514 19.000 -0.435 0.000 1.267 164 A HN 0.458 8.608 8.150 -0.000 0.000 0.418 165 D N 2.689 123.136 120.400 0.078 0.000 2.363 165 D HA 0.296 4.925 4.640 -0.019 0.000 0.263 165 D C -1.604 174.739 176.300 0.072 0.000 1.258 165 D CA -1.044 52.999 54.000 0.072 0.000 0.907 165 D CB 0.884 41.735 40.800 0.085 0.000 1.107 165 D HN 0.171 8.541 8.370 -0.000 0.000 0.495 166 P HA -0.154 4.266 4.420 -0.000 0.000 0.224 166 P C 0.722 178.051 177.300 0.049 0.000 1.142 166 P CA 0.805 63.931 63.100 0.043 0.000 0.778 166 P CB 0.289 32.008 31.700 0.031 0.000 0.764 167 Q N -0.872 118.958 119.800 0.050 0.000 2.226 167 Q HA 0.156 4.484 4.340 -0.019 0.000 0.199 167 Q C 2.147 178.179 176.000 0.054 0.000 0.945 167 Q CA 1.143 56.971 55.803 0.043 0.000 0.861 167 Q CB -1.134 27.624 28.738 0.033 0.000 0.953 167 Q HN 0.042 8.312 8.270 -0.000 0.000 0.490 168 A N 0.605 123.469 122.820 0.075 0.000 1.892 168 A HA -0.212 4.097 4.320 -0.019 0.000 0.218 168 A C 2.037 179.678 177.584 0.096 0.000 1.188 168 A CA 1.590 53.676 52.037 0.083 0.000 0.631 168 A CB -0.957 18.120 19.000 0.129 0.000 0.822 168 A HN 0.423 8.573 8.150 -0.000 0.000 0.447 169 L N -0.735 120.571 121.223 0.139 0.000 1.994 169 L HA -0.243 4.086 4.340 -0.019 0.000 0.208 169 L C 2.669 179.584 176.870 0.075 0.000 1.071 169 L CA 2.092 57.013 54.840 0.134 0.000 0.745 169 L CB -0.516 41.620 42.059 0.127 0.000 0.892 169 L HN 0.523 8.753 8.230 -0.000 0.000 0.431 170 K N 0.389 120.823 120.400 0.058 0.000 2.059 170 K HA -0.283 4.026 4.320 -0.019 0.000 0.212 170 K C 2.096 178.713 176.600 0.027 0.000 1.050 170 K CA 1.733 58.042 56.287 0.037 0.000 0.927 170 K CB -0.196 32.322 32.500 0.030 0.000 0.714 170 K HN 0.293 8.543 8.250 -0.000 0.000 0.447 171 A N 1.634 124.470 122.820 0.026 0.000 1.884 171 A HA -0.202 4.107 4.320 -0.019 0.000 0.219 171 A C 2.144 179.732 177.584 0.007 0.000 1.197 171 A CA 1.949 53.994 52.037 0.013 0.000 0.637 171 A CB -0.894 18.111 19.000 0.009 0.000 0.827 171 A HN 0.408 8.558 8.150 -0.000 0.000 0.450 172 L N -1.722 119.508 121.223 0.011 0.000 2.263 172 L HA -0.061 4.268 4.340 -0.019 0.000 0.216 172 L C 1.495 178.368 176.870 0.006 0.000 1.111 172 L CA 0.903 55.745 54.840 0.004 0.000 0.773 172 L CB -0.662 41.404 42.059 0.012 0.000 0.906 172 L HN 0.714 8.944 8.230 -0.000 0.000 0.439 173 G N 0.250 109.057 108.800 0.011 0.000 2.325 173 G HA2 -0.001 3.947 3.960 -0.019 0.000 0.214 173 G HA3 -0.001 3.947 3.960 -0.019 0.000 0.214 173 G C -0.312 174.594 174.900 0.009 0.000 1.087 173 G CA -0.083 45.021 45.100 0.006 0.000 0.811 173 G HN 0.203 8.493 8.290 -0.000 0.000 0.486 174 M N -2.228 117.381 119.600 0.015 0.000 2.569 174 M HA 0.770 5.239 4.480 -0.019 0.000 0.279 174 M C -3.156 173.153 176.300 0.015 0.000 1.253 174 M CA -2.149 53.161 55.300 0.016 0.000 0.867 174 M CB 1.244 33.862 32.600 0.030 0.000 1.727 174 M HN -0.101 8.189 8.290 -0.000 0.000 0.467 175 P HA 0.073 4.493 4.420 -0.000 0.000 0.278 175 P C 0.316 177.627 177.300 0.018 0.000 1.270 175 P CA -0.495 62.610 63.100 0.010 0.000 0.800 175 P CB 0.478 32.181 31.700 0.005 0.000 1.142 176 L N 0.561 121.793 121.223 0.015 0.000 2.127 176 L HA -0.005 4.324 4.340 -0.019 0.000 0.203 176 L C 1.826 178.710 176.870 0.023 0.000 1.080 176 L CA 1.860 56.712 54.840 0.019 0.000 0.768 176 L CB -0.935 41.132 42.059 0.014 0.000 0.924 176 L HN 0.156 8.386 8.230 -0.000 0.000 0.444 177 K N -0.823 119.588 120.400 0.019 0.000 2.280 177 K HA -0.189 4.119 4.320 -0.019 0.000 0.202 177 K C 2.155 178.776 176.600 0.035 0.000 1.047 177 K CA 0.890 57.190 56.287 0.022 0.000 0.942 177 K CB -0.027 32.483 32.500 0.016 0.000 0.739 177 K HN 0.118 8.368 8.250 -0.000 0.000 0.457 178 R N 1.363 121.884 120.500 0.035 0.000 2.062 178 R HA -0.056 4.273 4.340 -0.019 0.000 0.231 178 R C 1.988 178.322 176.300 0.057 0.000 1.136 178 R CA 1.801 57.928 56.100 0.045 0.000 0.948 178 R CB -0.660 29.662 30.300 0.037 0.000 0.845 178 R HN 0.143 8.413 8.270 -0.000 0.000 0.430 179 A N 0.483 123.334 122.820 0.051 0.000 2.015 179 A HA -0.105 4.203 4.320 -0.019 0.000 0.219 179 A C 1.826 179.446 177.584 0.059 0.000 1.163 179 A CA 1.533 53.604 52.037 0.057 0.000 0.646 179 A CB -0.414 18.618 19.000 0.054 0.000 0.806 179 A HN 0.548 8.698 8.150 -0.000 0.000 0.448 180 E N -0.226 120.007 120.200 0.055 0.000 2.216 180 E HA 0.006 4.344 4.350 -0.019 0.000 0.192 180 E C 2.227 178.885 176.600 0.096 0.000 0.988 180 E CA 0.615 57.051 56.400 0.060 0.000 0.834 180 E CB -0.203 29.519 29.700 0.036 0.000 0.772 180 E HN 0.625 8.985 8.360 -0.000 0.000 0.479 181 A N 1.464 124.343 122.820 0.097 0.000 1.902 181 A HA -0.143 4.166 4.320 -0.019 0.000 0.217 181 A C 2.176 179.862 177.584 0.169 0.000 1.181 181 A CA 0.930 53.050 52.037 0.139 0.000 0.623 181 A CB -0.520 18.548 19.000 0.113 0.000 0.818 181 A HN 0.107 8.257 8.150 -0.000 0.000 0.443 182 L N -0.582 120.716 121.223 0.125 0.000 1.988 182 L HA -0.172 4.157 4.340 -0.019 0.000 0.207 182 L C 2.536 179.493 176.870 0.144 0.000 1.071 182 L CA 1.506 56.422 54.840 0.126 0.000 0.744 182 L CB -0.640 41.471 42.059 0.087 0.000 0.893 182 L HN 0.355 8.585 8.230 -0.000 0.000 0.433 183 I N -0.621 120.009 120.570 0.100 0.000 2.248 183 I HA -0.382 3.777 4.170 -0.019 0.000 0.248 183 I C 2.606 178.777 176.117 0.090 0.000 1.107 183 I CA 1.583 62.925 61.300 0.071 0.000 1.373 183 I CB -0.464 37.562 38.000 0.044 0.000 1.055 183 I HN 0.376 8.586 8.210 -0.000 0.000 0.418 184 H N 0.797 119.894 119.070 0.044 0.000 2.363 184 H HA -0.163 4.381 4.556 -0.019 0.000 0.301 184 H C 1.927 177.300 175.328 0.075 0.000 1.074 184 H CA 1.499 57.556 56.048 0.015 0.000 1.354 184 H CB -0.108 29.645 29.762 -0.016 0.000 1.397 184 H HN 0.148 8.428 8.280 -0.000 0.000 0.516 185 L N 0.520 121.814 121.223 0.118 0.000 2.042 185 L HA -0.098 4.230 4.340 -0.019 0.000 0.210 185 L C 2.469 179.450 176.870 0.185 0.000 1.076 185 L CA 2.014 56.975 54.840 0.203 0.000 0.749 185 L CB -1.303 40.920 42.059 0.274 0.000 0.893 185 L HN 0.414 8.644 8.230 -0.000 0.000 0.432 186 A N -0.509 122.439 122.820 0.214 0.000 1.865 186 A HA -0.293 4.016 4.320 -0.019 0.000 0.217 186 A C 2.125 179.622 177.584 -0.145 0.000 1.191 186 A CA 2.265 54.316 52.037 0.022 0.000 0.623 186 A CB -1.087 17.955 19.000 0.071 0.000 0.826 186 A HN 0.668 8.818 8.150 -0.000 0.000 0.444 187 N N 0.026 118.649 118.700 -0.128 0.000 2.069 187 N HA -0.129 4.600 4.740 -0.019 0.000 0.191 187 N C 1.966 177.374 175.510 -0.169 0.000 1.031 187 N CA 1.430 54.389 53.050 -0.152 0.000 0.852 187 N CB -0.314 38.083 38.487 -0.150 0.000 1.018 187 N HN 0.503 8.883 8.380 -0.000 0.000 0.423 188 A N 0.977 123.658 122.820 -0.232 0.000 1.917 188 A HA -0.144 4.165 4.320 -0.019 0.000 0.219 188 A C 2.287 179.852 177.584 -0.031 0.000 1.182 188 A CA 1.958 53.919 52.037 -0.127 0.000 0.633 188 A CB -1.022 17.960 19.000 -0.029 0.000 0.819 188 A HN 0.390 8.540 8.150 -0.000 0.000 0.448 189 A N -0.658 122.121 122.820 -0.068 0.000 1.969 189 A HA 0.035 4.343 4.320 -0.019 0.000 0.218 189 A C 2.150 179.648 177.584 -0.144 0.000 1.169 189 A CA 1.361 53.325 52.037 -0.121 0.000 0.635 189 A CB -0.491 18.268 19.000 -0.401 0.000 0.810 189 A HN 0.482 8.632 8.150 -0.000 0.000 0.445 190 L N -0.221 120.906 121.223 -0.160 0.000 2.093 190 L HA -0.167 4.162 4.340 -0.019 0.000 0.208 190 L C 2.396 179.225 176.870 -0.068 0.000 1.085 190 L CA 1.683 56.451 54.840 -0.120 0.000 0.755 190 L CB -0.425 41.566 42.059 -0.114 0.000 0.904 190 L HN 0.668 8.898 8.230 -0.000 0.000 0.435 191 E N -0.503 119.664 120.200 -0.055 0.000 2.479 191 E HA 0.128 4.466 4.350 -0.019 0.000 0.193 191 E C 1.130 177.728 176.600 -0.003 0.000 1.049 191 E CA 0.557 56.940 56.400 -0.028 0.000 0.870 191 E CB 0.380 30.062 29.700 -0.031 0.000 0.944 191 E HN 0.334 8.694 8.360 -0.000 0.000 0.492 192 G N 1.154 109.959 108.800 0.008 0.000 2.137 192 G HA2 -0.275 3.673 3.960 -0.019 0.000 0.237 192 G HA3 -0.275 3.673 3.960 -0.019 0.000 0.237 192 G C 0.746 175.690 174.900 0.074 0.000 1.002 192 G CA 0.564 45.687 45.100 0.039 0.000 0.702 192 G HN 0.312 8.602 8.290 -0.000 0.000 0.515 193 T N -0.550 114.059 114.554 0.092 0.000 3.054 193 T HA 0.222 4.561 4.350 -0.019 0.000 0.259 193 T C 0.984 175.840 174.700 0.260 0.000 1.092 193 T CA 0.844 63.039 62.100 0.158 0.000 1.121 193 T CB 0.258 69.207 68.868 0.136 0.000 0.912 193 T HN 0.420 8.660 8.240 -0.000 0.000 0.489 194 L N 3.608 124.977 121.223 0.243 0.000 2.278 194 L HA 0.390 4.718 4.340 -0.019 0.000 0.287 194 L C -2.696 174.357 176.870 0.306 0.000 1.072 194 L CA -2.492 52.505 54.840 0.263 0.000 0.819 194 L CB 0.464 42.656 42.059 0.223 0.000 1.176 194 L HN -0.183 8.047 8.230 -0.000 0.000 0.435 195 P HA 0.122 4.542 4.420 -0.000 0.000 0.267 195 P C 0.219 177.851 177.300 0.553 0.000 1.209 195 P CA -0.022 63.305 63.100 0.379 0.000 0.763 195 P CB 0.579 32.432 31.700 0.255 0.000 0.816 196 M N 0.518 120.303 119.600 0.307 0.000 2.509 196 M HA 0.092 4.560 4.480 -0.019 0.000 0.250 196 M C 0.841 177.277 176.300 0.226 0.000 1.132 196 M CA 0.830 56.306 55.300 0.293 0.000 1.080 196 M CB -0.559 32.150 32.600 0.180 0.000 1.408 196 M HN 0.272 8.562 8.290 -0.000 0.000 0.484 197 T N 0.065 114.665 114.554 0.077 0.000 2.906 197 T HA 0.523 4.861 4.350 -0.019 0.000 0.295 197 T C -0.658 173.798 174.700 -0.407 0.000 1.061 197 T CA -0.695 61.373 62.100 -0.054 0.000 1.000 197 T CB 1.795 70.630 68.868 -0.055 0.000 1.103 197 T HN 0.158 8.398 8.240 -0.000 0.000 0.486 198 I N 5.860 126.192 120.570 -0.397 0.000 2.828 198 I HA 0.195 4.354 4.170 -0.019 0.000 0.292 198 I C -1.700 174.079 176.117 -0.564 0.000 1.206 198 I CA -1.211 59.713 61.300 -0.627 0.000 1.420 198 I CB 0.778 38.640 38.000 -0.230 0.000 1.368 198 I HN 0.498 8.708 8.210 -0.000 0.000 0.556 199 P HA 0.163 4.583 4.420 -0.000 0.000 0.277 199 P C 0.460 177.585 177.300 -0.291 0.000 1.240 199 P CA -0.418 62.398 63.100 -0.474 0.000 0.798 199 P CB 1.136 32.505 31.700 -0.551 0.000 0.979 200 G N 0.757 109.446 108.800 -0.186 0.000 2.470 200 G HA2 -0.159 3.789 3.960 -0.019 0.000 0.220 200 G HA3 -0.159 3.789 3.960 -0.019 0.000 0.220 200 G C 0.422 175.261 174.900 -0.103 0.000 1.121 200 G CA 0.561 45.587 45.100 -0.122 0.000 0.766 200 G HN 0.566 8.856 8.290 -0.000 0.000 0.553 201 D N 0.176 120.510 120.400 -0.110 0.000 2.434 201 D HA 0.317 4.945 4.640 -0.019 0.000 0.275 201 D C 1.557 177.820 176.300 -0.062 0.000 1.172 201 D CA -0.505 53.455 54.000 -0.067 0.000 0.916 201 D CB 1.148 41.923 40.800 -0.042 0.000 1.041 201 D HN -0.064 8.306 8.370 -0.000 0.000 0.501 202 V N 2.675 122.558 119.914 -0.053 0.000 2.324 202 V HA -0.252 3.856 4.120 -0.019 0.000 0.250 202 V C 2.211 178.361 176.094 0.094 0.000 1.060 202 V CA 1.590 63.901 62.300 0.019 0.000 1.042 202 V CB -0.308 31.552 31.823 0.061 0.000 0.650 202 V HN 0.383 8.573 8.190 -0.000 0.000 0.450 203 E N -0.100 120.133 120.200 0.055 0.000 2.038 203 E HA -0.251 4.087 4.350 -0.019 0.000 0.195 203 E C 2.236 178.879 176.600 0.071 0.000 1.000 203 E CA 1.636 58.074 56.400 0.063 0.000 0.803 203 E CB -0.421 29.300 29.700 0.035 0.000 0.750 203 E HN 0.572 8.932 8.360 -0.000 0.000 0.448 204 Q N 0.034 119.863 119.800 0.048 0.000 2.084 204 Q HA -0.039 4.290 4.340 -0.019 0.000 0.202 204 Q C 1.932 177.981 176.000 0.081 0.000 0.978 204 Q CA 1.927 57.761 55.803 0.052 0.000 0.844 204 Q CB -0.583 28.171 28.738 0.027 0.000 0.898 204 Q HN 0.262 8.532 8.270 -0.000 0.000 0.426 205 A N 0.013 122.882 122.820 0.082 0.000 1.902 205 A HA -0.191 4.118 4.320 -0.019 0.000 0.217 205 A C 2.152 179.889 177.584 0.255 0.000 1.181 205 A CA 1.797 53.921 52.037 0.145 0.000 0.623 205 A CB -0.577 18.443 19.000 0.033 0.000 0.818 205 A HN 0.503 8.653 8.150 -0.000 0.000 0.443 206 M N -1.153 118.604 119.600 0.261 0.000 2.159 206 M HA -0.157 4.312 4.480 -0.019 0.000 0.263 206 M C 2.267 178.637 176.300 0.117 0.000 1.063 206 M CA 1.939 57.358 55.300 0.198 0.000 1.110 206 M CB -0.314 32.385 32.600 0.165 0.000 1.374 206 M HN 0.474 8.764 8.290 -0.000 0.000 0.411 207 K N 0.008 120.474 120.400 0.110 0.000 2.009 207 K HA -0.159 4.149 4.320 -0.019 0.000 0.210 207 K C 1.767 178.432 176.600 0.108 0.000 1.049 207 K CA 2.062 58.404 56.287 0.093 0.000 0.929 207 K CB -0.098 32.449 32.500 0.079 0.000 0.714 207 K HN 0.231 8.481 8.250 -0.000 0.000 0.440 208 T N 1.759 116.389 114.554 0.127 0.000 2.720 208 T HA -0.143 4.196 4.350 -0.019 0.000 0.268 208 T C 1.726 176.549 174.700 0.205 0.000 1.037 208 T CA 1.314 63.518 62.100 0.172 0.000 1.144 208 T CB -0.170 68.811 68.868 0.188 0.000 0.864 208 T HN 0.165 8.405 8.240 -0.000 0.000 0.444 209 L N 0.804 122.063 121.223 0.061 0.000 2.079 209 L HA -0.186 4.143 4.340 -0.019 0.000 0.210 209 L C 2.763 179.626 176.870 -0.013 0.000 1.081 209 L CA 1.493 56.200 54.840 -0.221 0.000 0.752 209 L CB -0.586 41.292 42.059 -0.302 0.000 0.896 209 L HN 0.385 8.615 8.230 -0.000 0.000 0.433 210 Q N -0.962 118.878 119.800 0.067 0.000 2.439 210 Q HA -0.166 4.163 4.340 -0.019 0.000 0.211 210 Q C 1.835 177.929 176.000 0.156 0.000 0.978 210 Q CA 1.657 57.521 55.803 0.100 0.000 0.897 210 Q CB -0.131 28.659 28.738 0.087 0.000 0.956 210 Q HN 0.606 8.876 8.270 -0.000 0.000 0.483 211 T N -2.614 112.078 114.554 0.230 0.000 3.129 211 T HA 0.065 4.403 4.350 -0.019 0.000 0.251 211 T C 0.184 175.024 174.700 0.232 0.000 1.117 211 T CA -0.276 61.944 62.100 0.199 0.000 1.034 211 T CB -0.031 68.943 68.868 0.177 0.000 0.968 211 T HN -0.105 8.135 8.240 -0.000 0.000 0.526 212 F N 3.938 123.902 119.950 0.023 0.000 2.412 212 F HA 0.419 4.935 4.527 -0.018 0.000 0.348 212 F C -1.851 173.914 175.800 -0.059 0.000 1.102 212 F CA -2.996 55.010 58.000 0.010 0.000 1.196 212 F CB 0.692 39.760 39.000 0.113 0.000 1.144 212 F HN 0.010 8.310 8.300 -0.000 0.000 0.541 213 P HA 0.135 4.555 4.420 -0.000 0.000 0.271 213 P C 0.583 177.927 177.300 0.072 0.000 1.218 213 P CA 0.561 63.636 63.100 -0.041 0.000 0.780 213 P CB 1.015 32.617 31.700 -0.162 0.000 0.901 214 G N 2.457 111.297 108.800 0.067 0.000 2.220 214 G HA2 -0.254 3.695 3.960 -0.019 0.000 0.269 214 G HA3 -0.254 3.695 3.960 -0.019 0.000 0.269 214 G C 0.160 175.126 174.900 0.110 0.000 0.977 214 G CA 0.014 45.165 45.100 0.085 0.000 0.634 214 G HN 0.557 8.847 8.290 -0.000 0.000 0.539 215 I N 2.025 122.672 120.570 0.128 0.000 2.371 215 I HA 0.528 4.686 4.170 -0.019 0.000 0.282 215 I C 1.072 177.252 176.117 0.105 0.000 1.031 215 I CA -0.203 61.161 61.300 0.106 0.000 1.180 215 I CB 1.069 39.105 38.000 0.059 0.000 1.336 215 I HN 0.161 8.371 8.210 -0.000 0.000 0.467 216 G N 4.112 112.990 108.800 0.130 0.000 2.531 216 G HA2 0.279 4.228 3.960 -0.019 0.000 0.313 216 G HA3 0.279 4.228 3.960 -0.019 0.000 0.313 216 G C 0.715 175.703 174.900 0.147 0.000 1.238 216 G CA -0.542 44.638 45.100 0.134 0.000 0.994 216 G HN 0.658 8.948 8.290 -0.000 0.000 0.493 217 R N -1.358 119.229 120.500 0.145 0.000 2.133 217 R HA -0.175 4.154 4.340 -0.019 0.000 0.247 217 R C 2.032 178.435 176.300 0.172 0.000 1.151 217 R CA 2.086 58.268 56.100 0.136 0.000 0.971 217 R CB -0.295 30.083 30.300 0.130 0.000 0.866 217 R HN 0.679 8.949 8.270 -0.000 0.000 0.447 218 W N 0.754 122.093 121.300 0.066 0.000 2.380 218 W HA -0.134 4.516 4.660 -0.016 0.000 0.317 218 W C 2.026 178.611 176.519 0.110 0.000 1.196 218 W CA 2.174 59.568 57.345 0.083 0.000 1.307 218 W CB -0.649 28.853 29.460 0.070 0.000 1.157 218 W HN -0.041 8.139 8.180 -0.000 0.000 0.483 219 T N 0.840 115.560 114.554 0.277 0.000 2.720 219 T HA -0.255 4.083 4.350 -0.019 0.000 0.268 219 T C 1.904 176.565 174.700 -0.065 0.000 1.037 219 T CA 2.167 64.312 62.100 0.074 0.000 1.144 219 T CB -1.072 67.914 68.868 0.196 0.000 0.864 219 T HN 0.278 8.518 8.240 -0.000 0.000 0.444 220 A N 1.722 124.520 122.820 -0.037 0.000 1.972 220 A HA -0.157 4.152 4.320 -0.019 0.000 0.219 220 A C 2.180 179.720 177.584 -0.073 0.000 1.169 220 A CA 1.753 53.751 52.037 -0.065 0.000 0.635 220 A CB -0.770 18.217 19.000 -0.022 0.000 0.810 220 A HN 0.627 8.777 8.150 -0.000 0.000 0.446 221 N N -2.075 116.562 118.700 -0.105 0.000 2.109 221 N HA -0.143 4.586 4.740 -0.019 0.000 0.188 221 N C 1.780 177.167 175.510 -0.206 0.000 1.034 221 N CA 1.368 54.340 53.050 -0.129 0.000 0.846 221 N CB -0.291 38.120 38.487 -0.128 0.000 1.010 221 N HN 0.546 8.926 8.380 -0.000 0.000 0.425 222 Y N 0.917 120.907 120.300 -0.518 0.000 2.333 222 Y HA -0.185 4.354 4.550 -0.018 0.000 0.290 222 Y C 1.949 177.646 175.900 -0.339 0.000 1.144 222 Y CA 1.086 58.876 58.100 -0.517 0.000 1.228 222 Y CB -0.386 37.536 38.460 -0.896 0.000 0.985 222 Y HN 0.059 8.339 8.280 -0.000 0.000 0.542 223 F N 0.091 119.759 119.950 -0.470 0.000 2.163 223 F HA -0.015 4.501 4.527 -0.019 0.000 0.297 223 F C 2.290 177.658 175.800 -0.720 0.000 1.094 223 F CA 1.295 58.933 58.000 -0.603 0.000 1.290 223 F CB -0.816 37.838 39.000 -0.578 0.000 1.017 223 F HN 0.014 8.314 8.300 -0.000 0.000 0.483 224 A N 0.506 122.960 122.820 -0.610 0.000 1.902 224 A HA -0.160 4.149 4.320 -0.019 0.000 0.217 224 A C 2.137 179.516 177.584 -0.341 0.000 1.181 224 A CA 1.746 53.506 52.037 -0.461 0.000 0.623 224 A CB -1.302 17.691 19.000 -0.011 0.000 0.818 224 A HN 0.507 8.657 8.150 -0.000 0.000 0.443 225 L N -0.572 120.441 121.223 -0.351 0.000 1.994 225 L HA -0.155 4.173 4.340 -0.019 0.000 0.208 225 L C 2.479 179.101 176.870 -0.413 0.000 1.071 225 L CA 2.029 56.671 54.840 -0.330 0.000 0.745 225 L CB -0.334 41.538 42.059 -0.312 0.000 0.892 225 L HN 0.274 8.504 8.230 -0.000 0.000 0.431 226 R N -0.873 119.275 120.500 -0.587 0.000 2.075 226 R HA 0.146 4.475 4.340 -0.019 0.000 0.220 226 R C 2.163 178.128 176.300 -0.559 0.000 1.118 226 R CA 0.998 56.758 56.100 -0.566 0.000 0.986 226 R CB -1.048 28.835 30.300 -0.695 0.000 0.884 226 R HN 0.526 8.796 8.270 -0.000 0.000 0.439 227 G N -0.024 108.273 108.800 -0.840 0.000 2.403 227 G HA2 -0.186 3.763 3.960 -0.019 0.000 0.216 227 G HA3 -0.186 3.763 3.960 -0.019 0.000 0.216 227 G C 0.736 175.277 174.900 -0.598 0.000 1.154 227 G CA 0.202 44.743 45.100 -0.932 0.000 0.784 227 G HN 0.276 8.566 8.290 -0.000 0.000 0.538 228 W N -0.416 120.531 121.300 -0.589 0.000 3.107 228 W HA 0.331 4.984 4.660 -0.013 0.000 0.293 228 W C 0.956 177.320 176.519 -0.259 0.000 1.239 228 W CA -0.334 56.798 57.345 -0.356 0.000 1.653 228 W CB -0.132 29.151 29.460 -0.296 0.000 1.068 228 W HN 0.283 8.463 8.180 -0.000 0.000 0.615 229 Q N -0.960 118.775 119.800 -0.108 0.000 2.494 229 Q HA -0.170 4.159 4.340 -0.019 0.000 0.272 229 Q C 0.331 176.295 176.000 -0.061 0.000 1.145 229 Q CA 0.927 56.654 55.803 -0.125 0.000 0.943 229 Q CB -2.157 26.523 28.738 -0.097 0.000 1.338 229 Q HN 0.135 8.405 8.270 -0.000 0.000 0.492 230 A N 0.591 123.399 122.820 -0.021 0.000 2.511 230 A HA 0.239 4.547 4.320 -0.019 0.000 0.242 230 A C 0.942 178.509 177.584 -0.027 0.000 1.069 230 A CA 0.166 52.213 52.037 0.018 0.000 0.763 230 A CB 0.410 19.454 19.000 0.073 0.000 1.001 230 A HN 0.174 8.324 8.150 -0.000 0.000 0.498 231 K N 1.104 121.531 120.400 0.045 0.000 2.358 231 K HA 0.091 4.399 4.320 -0.019 0.000 0.197 231 K C -0.325 176.365 176.600 0.150 0.000 1.025 231 K CA 0.427 56.779 56.287 0.109 0.000 1.104 231 K CB 0.428 33.186 32.500 0.429 0.000 0.855 231 K HN 0.726 8.976 8.250 -0.000 0.000 0.531 232 D N 1.050 121.488 120.400 0.063 0.000 2.819 232 D HA 0.040 4.669 4.640 -0.019 0.000 0.326 232 D C -0.456 175.888 176.300 0.073 0.000 1.408 232 D CA -0.306 53.732 54.000 0.064 0.000 0.811 232 D CB 0.408 41.188 40.800 -0.033 0.000 1.148 232 D HN -0.095 8.275 8.370 -0.000 0.000 0.457 233 V N -2.466 117.484 119.914 0.060 0.000 3.093 233 V HA 0.799 4.907 4.120 -0.019 0.000 0.320 233 V C -0.523 175.650 176.094 0.133 0.000 1.093 233 V CA -0.751 61.591 62.300 0.071 0.000 1.016 233 V CB 1.822 33.648 31.823 0.004 0.000 1.096 233 V HN -0.007 8.183 8.190 -0.000 0.000 0.452 234 F N 0.605 120.526 119.950 -0.047 0.000 2.662 234 F HA 0.757 5.272 4.527 -0.021 0.000 0.312 234 F C -1.200 174.559 175.800 -0.069 0.000 1.113 234 F CA -0.872 57.092 58.000 -0.060 0.000 0.951 234 F CB 2.234 41.240 39.000 0.010 0.000 1.344 234 F HN 0.427 8.727 8.300 -0.000 0.000 0.462 235 L N 5.831 126.908 121.223 -0.244 0.000 2.581 235 L HA 0.386 4.715 4.340 -0.019 0.000 0.241 235 L C -1.817 175.150 176.870 0.161 0.000 1.265 235 L CA -1.424 53.397 54.840 -0.032 0.000 0.954 235 L CB 0.673 42.662 42.059 -0.117 0.000 1.269 235 L HN 0.308 8.537 8.230 -0.000 0.000 0.475 236 P HA -0.126 4.294 4.420 -0.000 0.000 0.225 236 P C 0.169 177.588 177.300 0.198 0.000 1.148 236 P CA 1.134 64.364 63.100 0.217 0.000 0.779 236 P CB 0.500 32.285 31.700 0.141 0.000 0.780 237 D N -0.218 120.339 120.400 0.262 0.000 2.340 237 D HA 0.023 4.652 4.640 -0.019 0.000 0.217 237 D C 0.235 176.723 176.300 0.313 0.000 1.081 237 D CA 0.132 54.292 54.000 0.267 0.000 0.842 237 D CB -0.087 40.885 40.800 0.287 0.000 0.934 237 D HN 0.277 8.647 8.370 -0.000 0.000 0.511 238 D N -0.120 120.520 120.400 0.401 0.000 2.389 238 D HA -0.106 4.523 4.640 -0.019 0.000 0.247 238 D C 1.273 177.744 176.300 0.286 0.000 1.128 238 D CA -0.364 53.897 54.000 0.435 0.000 0.884 238 D CB 0.897 42.056 40.800 0.598 0.000 1.194 238 D HN -0.138 8.232 8.370 -0.000 0.000 0.441 239 Y N 4.260 124.592 120.300 0.053 0.000 2.053 239 Y HA -0.202 4.336 4.550 -0.019 0.000 0.277 239 Y C 1.579 177.543 175.900 0.108 0.000 1.159 239 Y CA 1.649 59.763 58.100 0.024 0.000 1.125 239 Y CB -0.794 37.622 38.460 -0.074 0.000 0.969 239 Y HN 0.556 8.836 8.280 -0.000 0.000 0.492 240 L N 0.153 121.274 121.223 -0.171 0.000 2.083 240 L HA -0.191 4.138 4.340 -0.019 0.000 0.209 240 L C 2.292 179.218 176.870 0.094 0.000 1.083 240 L CA 1.525 56.244 54.840 -0.201 0.000 0.752 240 L CB -0.997 41.019 42.059 -0.073 0.000 0.899 240 L HN 0.336 8.566 8.230 -0.000 0.000 0.433 241 I N -0.241 120.502 120.570 0.288 0.000 2.226 241 I HA -0.305 3.853 4.170 -0.019 0.000 0.245 241 I C 2.420 178.774 176.117 0.396 0.000 1.100 241 I CA 1.378 62.890 61.300 0.354 0.000 1.374 241 I CB -0.955 37.216 38.000 0.285 0.000 1.057 241 I HN 0.379 8.589 8.210 -0.000 0.000 0.413 242 K N 0.349 120.903 120.400 0.256 0.000 2.063 242 K HA -0.214 4.095 4.320 -0.019 0.000 0.208 242 K C 1.982 178.717 176.600 0.224 0.000 1.048 242 K CA 1.319 57.748 56.287 0.237 0.000 0.928 242 K CB -0.207 32.402 32.500 0.181 0.000 0.713 242 K HN 0.472 8.722 8.250 -0.000 0.000 0.442 243 Q N 0.149 120.008 119.800 0.098 0.000 2.224 243 Q HA -0.062 4.267 4.340 -0.019 0.000 0.203 243 Q C 1.830 177.901 176.000 0.117 0.000 0.970 243 Q CA 0.727 56.561 55.803 0.051 0.000 0.865 243 Q CB 0.083 28.758 28.738 -0.105 0.000 0.922 243 Q HN 0.199 8.469 8.270 -0.000 0.000 0.445 244 R N -0.365 120.259 120.500 0.207 0.000 2.276 244 R HA 0.022 4.351 4.340 -0.019 0.000 0.203 244 R C 0.175 176.527 176.300 0.087 0.000 1.017 244 R CA 0.571 56.793 56.100 0.203 0.000 1.010 244 R CB 0.280 30.722 30.300 0.236 0.000 0.900 244 R HN 0.191 8.461 8.270 -0.000 0.000 0.469 245 F N 0.441 120.516 119.950 0.208 0.000 2.761 245 F HA 0.332 4.848 4.527 -0.019 0.000 0.367 245 F C -2.145 173.699 175.800 0.073 0.000 1.386 245 F CA -2.713 55.375 58.000 0.147 0.000 1.177 245 F CB 0.575 39.668 39.000 0.155 0.000 1.092 245 F HN -0.269 8.031 8.300 -0.000 0.000 0.517 246 P HA -0.104 4.316 4.420 -0.000 0.000 0.255 246 P C 1.017 178.380 177.300 0.106 0.000 1.114 246 P CA 2.267 65.431 63.100 0.106 0.000 0.765 246 P CB 0.142 31.870 31.700 0.046 0.000 0.694 247 G N 3.196 112.057 108.800 0.101 0.000 4.526 247 G HA2 -0.355 3.593 3.960 -0.019 0.000 0.217 247 G HA3 -0.355 3.593 3.960 -0.019 0.000 0.217 247 G C 0.392 175.347 174.900 0.091 0.000 1.428 247 G CA 0.160 45.310 45.100 0.083 0.000 0.928 247 G HN 0.562 8.852 8.290 -0.000 0.000 0.639 248 M N 2.677 122.341 119.600 0.107 0.000 2.134 248 M HA 0.149 4.617 4.480 -0.019 0.000 0.346 248 M C 1.257 177.597 176.300 0.066 0.000 0.999 248 M CA 1.498 56.852 55.300 0.091 0.000 0.872 248 M CB -0.103 32.571 32.600 0.124 0.000 1.633 248 M HN 0.783 9.073 8.290 -0.000 0.000 0.468 249 T N 0.038 114.616 114.554 0.039 0.000 2.907 249 T HA 0.343 4.681 4.350 -0.019 0.000 0.284 249 T C -2.062 172.644 174.700 0.009 0.000 1.004 249 T CA -2.022 60.097 62.100 0.032 0.000 1.063 249 T CB 1.313 70.199 68.868 0.030 0.000 0.992 249 T HN 0.389 8.629 8.240 -0.000 0.000 0.483 250 P HA -0.248 4.172 4.420 -0.000 0.000 0.221 250 P C 1.409 178.708 177.300 -0.002 0.000 1.153 250 P CA 1.849 64.963 63.100 0.023 0.000 0.858 250 P CB -0.127 31.605 31.700 0.055 0.000 0.783 251 A N -1.323 121.497 122.820 -0.001 0.000 1.935 251 A HA -0.148 4.161 4.320 -0.019 0.000 0.214 251 A C 2.205 179.771 177.584 -0.030 0.000 1.178 251 A CA 1.012 53.043 52.037 -0.010 0.000 0.640 251 A CB -0.829 18.171 19.000 0.001 0.000 0.825 251 A HN 0.176 8.326 8.150 -0.000 0.000 0.447 252 Q N -0.252 119.534 119.800 -0.023 0.000 2.046 252 Q HA -0.080 4.248 4.340 -0.019 0.000 0.200 252 Q C 2.006 177.972 176.000 -0.058 0.000 0.975 252 Q CA 1.421 57.214 55.803 -0.016 0.000 0.836 252 Q CB -0.314 28.432 28.738 0.013 0.000 0.896 252 Q HN 0.703 8.973 8.270 -0.000 0.000 0.428 253 I N 0.527 121.004 120.570 -0.155 0.000 2.076 253 I HA -0.350 3.808 4.170 -0.019 0.000 0.237 253 I C 2.654 178.578 176.117 -0.321 0.000 1.059 253 I CA 1.357 62.410 61.300 -0.412 0.000 1.317 253 I CB -0.381 37.296 38.000 -0.539 0.000 1.037 253 I HN 0.182 8.392 8.210 -0.000 0.000 0.398 254 R N 0.635 121.006 120.500 -0.216 0.000 2.140 254 R HA -0.292 4.037 4.340 -0.019 0.000 0.250 254 R C 2.429 178.621 176.300 -0.181 0.000 1.150 254 R CA 2.216 58.208 56.100 -0.179 0.000 0.966 254 R CB -0.239 30.019 30.300 -0.069 0.000 0.869 254 R HN 0.179 8.449 8.270 -0.000 0.000 0.445 255 R N -1.158 119.269 120.500 -0.121 0.000 2.115 255 R HA -0.142 4.186 4.340 -0.019 0.000 0.226 255 R C 2.027 178.245 176.300 -0.136 0.000 1.100 255 R CA 1.407 57.443 56.100 -0.107 0.000 0.980 255 R CB -0.387 29.877 30.300 -0.059 0.000 0.875 255 R HN 0.348 8.618 8.270 -0.000 0.000 0.445 256 Y N -0.009 120.155 120.300 -0.227 0.000 2.314 256 Y HA 0.055 4.594 4.550 -0.018 0.000 0.293 256 Y C 1.865 177.481 175.900 -0.473 0.000 1.129 256 Y CA 1.094 59.052 58.100 -0.238 0.000 1.201 256 Y CB -0.273 38.161 38.460 -0.045 0.000 0.999 256 Y HN 0.134 8.414 8.280 -0.000 0.000 0.541 257 A N 0.423 123.057 122.820 -0.310 0.000 2.015 257 A HA -0.168 4.141 4.320 -0.019 0.000 0.219 257 A C 1.959 179.289 177.584 -0.423 0.000 1.163 257 A CA 1.566 53.287 52.037 -0.526 0.000 0.646 257 A CB -0.620 17.773 19.000 -1.011 0.000 0.806 257 A HN 0.651 8.801 8.150 -0.000 0.000 0.448 258 E N 0.182 120.173 120.200 -0.348 0.000 2.267 258 E HA -0.255 4.084 4.350 -0.019 0.000 0.197 258 E C 1.914 178.340 176.600 -0.291 0.000 0.998 258 E CA 1.193 57.448 56.400 -0.241 0.000 0.830 258 E CB -0.350 29.232 29.700 -0.196 0.000 0.751 258 E HN 0.850 9.210 8.360 -0.000 0.000 0.491 259 R N 0.469 120.641 120.500 -0.546 0.000 2.341 259 R HA -0.105 4.224 4.340 -0.019 0.000 0.213 259 R C 0.827 176.890 176.300 -0.394 0.000 1.082 259 R CA 0.819 56.577 56.100 -0.569 0.000 1.017 259 R CB -0.126 29.651 30.300 -0.873 0.000 0.860 259 R HN 0.236 8.506 8.270 -0.000 0.000 0.473 260 W N 1.974 123.258 121.300 -0.027 0.000 3.123 260 W HA 0.337 4.983 4.660 -0.023 0.000 0.383 260 W C -0.274 176.271 176.519 0.043 0.000 1.102 260 W CA -1.151 56.225 57.345 0.052 0.000 1.865 260 W CB 0.074 29.605 29.460 0.118 0.000 1.111 260 W HN -0.059 8.121 8.180 -0.000 0.000 0.621 261 K N 2.465 122.926 120.400 0.103 0.000 2.414 261 K HA 0.001 4.310 4.320 -0.019 0.000 0.272 261 K C -1.406 175.117 176.600 -0.128 0.000 0.993 261 K CA -0.471 55.798 56.287 -0.030 0.000 0.964 261 K CB 0.756 33.205 32.500 -0.084 0.000 0.925 261 K HN -0.207 8.043 8.250 -0.000 0.000 0.487 262 P HA 0.105 4.525 4.420 -0.000 0.000 0.250 262 P C -1.086 175.804 177.300 -0.682 0.000 1.808 262 P CA -0.154 62.586 63.100 -0.601 0.000 1.117 262 P CB -0.186 31.034 31.700 -0.799 0.000 1.602 263 W N -0.129 121.272 121.300 0.167 0.000 1.894 263 W HA 0.426 5.082 4.660 -0.007 0.000 0.342 263 W C 1.520 178.187 176.519 0.246 0.000 0.861 263 W CA -0.642 56.842 57.345 0.232 0.000 2.584 263 W CB 0.350 29.934 29.460 0.207 0.000 1.373 263 W HN -0.133 8.047 8.180 -0.000 0.000 0.599 264 R N -0.027 120.698 120.500 0.375 0.000 2.127 264 R HA -0.129 4.199 4.340 -0.019 0.000 0.238 264 R C 2.071 178.542 176.300 0.285 0.000 1.134 264 R CA 1.632 57.986 56.100 0.424 0.000 0.975 264 R CB -0.233 30.314 30.300 0.411 0.000 0.865 264 R HN 0.072 8.342 8.270 -0.000 0.000 0.447 265 S N -0.092 115.680 115.700 0.119 0.000 2.370 265 S HA -0.163 4.295 4.470 -0.019 0.000 0.226 265 S C 1.498 175.949 174.600 -0.248 0.000 1.033 265 S CA 1.315 59.428 58.200 -0.145 0.000 1.011 265 S CB -0.229 62.819 63.200 -0.253 0.000 0.852 265 S HN 0.327 8.637 8.310 -0.000 0.000 0.457 266 Y N 1.493 121.796 120.300 0.005 0.000 2.184 266 Y HA -0.011 4.525 4.550 -0.023 0.000 0.290 266 Y C 2.648 178.516 175.900 -0.054 0.000 1.129 266 Y CA 0.563 58.630 58.100 -0.054 0.000 1.144 266 Y CB -1.017 37.426 38.460 -0.029 0.000 0.995 266 Y HN 0.241 8.521 8.280 -0.000 0.000 0.513 267 A N 0.199 123.050 122.820 0.052 0.000 1.903 267 A HA -0.268 4.041 4.320 -0.019 0.000 0.219 267 A C 2.245 179.658 177.584 -0.285 0.000 1.191 267 A CA 2.047 53.900 52.037 -0.307 0.000 0.638 267 A CB -1.293 17.430 19.000 -0.460 0.000 0.823 267 A HN 0.470 8.620 8.150 -0.000 0.000 0.451 268 L N -0.268 120.789 121.223 -0.275 0.000 1.971 268 L HA -0.197 4.131 4.340 -0.019 0.000 0.215 268 L C 2.409 178.984 176.870 -0.492 0.000 1.072 268 L CA 2.120 56.547 54.840 -0.688 0.000 0.758 268 L CB -0.498 40.970 42.059 -0.984 0.000 0.889 268 L HN 0.444 8.674 8.230 -0.000 0.000 0.433 269 L N -1.154 119.887 121.223 -0.303 0.000 2.013 269 L HA -0.313 4.016 4.340 -0.019 0.000 0.212 269 L C 2.563 179.441 176.870 0.014 0.000 1.073 269 L CA 1.829 56.648 54.840 -0.036 0.000 0.753 269 L CB -0.920 41.041 42.059 -0.164 0.000 0.890 269 L HN 0.416 8.646 8.230 -0.000 0.000 0.432 270 H N -0.649 118.323 119.070 -0.164 0.000 2.352 270 H HA -0.150 4.394 4.556 -0.020 0.000 0.299 270 H C 2.271 177.504 175.328 -0.158 0.000 1.097 270 H CA 1.793 57.729 56.048 -0.185 0.000 1.311 270 H CB -0.063 29.522 29.762 -0.295 0.000 1.377 270 H HN 0.248 8.528 8.280 -0.000 0.000 0.504 271 I N -0.911 119.539 120.570 -0.199 0.000 2.315 271 I HA -0.279 3.880 4.170 -0.019 0.000 0.248 271 I C 1.791 177.912 176.117 0.007 0.000 1.117 271 I CA 0.530 61.616 61.300 -0.357 0.000 1.404 271 I CB -0.159 37.481 38.000 -0.600 0.000 1.071 271 I HN 0.398 8.608 8.210 -0.000 0.000 0.419 272 W N 0.731 122.002 121.300 -0.047 0.000 2.358 272 W HA -0.184 4.466 4.660 -0.016 0.000 0.303 272 W C 1.628 178.060 176.519 -0.146 0.000 1.208 272 W CA 1.011 58.327 57.345 -0.048 0.000 1.274 272 W CB -0.833 28.684 29.460 0.096 0.000 1.138 272 W HN 0.160 8.340 8.180 -0.000 0.000 0.515 273 Y N -0.473 119.997 120.300 0.283 0.000 2.718 273 Y HA 0.237 4.775 4.550 -0.019 0.000 0.322 273 Y C 0.095 176.075 175.900 0.133 0.000 1.122 273 Y CA 0.290 58.523 58.100 0.221 0.000 1.348 273 Y CB -0.309 38.358 38.460 0.345 0.000 1.174 273 Y HN -0.401 7.879 8.280 -0.000 0.000 0.523 274 T N -0.191 114.473 114.554 0.183 0.000 3.008 274 T HA 0.091 4.430 4.350 -0.019 0.000 0.328 274 T C 0.834 175.637 174.700 0.173 0.000 1.020 274 T CA -0.607 61.597 62.100 0.174 0.000 1.043 274 T CB 1.522 70.497 68.868 0.178 0.000 1.010 274 T HN 0.365 8.605 8.240 -0.000 0.000 0.466 275 E N 3.469 123.746 120.200 0.128 0.000 1.997 275 E HA -0.116 4.222 4.350 -0.019 0.000 0.201 275 E C 2.076 178.746 176.600 0.117 0.000 1.011 275 E CA 1.446 57.903 56.400 0.096 0.000 0.847 275 E CB -0.294 29.441 29.700 0.058 0.000 0.787 275 E HN 0.748 9.108 8.360 -0.000 0.000 0.472 276 G N 0.561 109.418 108.800 0.095 0.000 2.959 276 G HA2 -0.190 3.759 3.960 -0.019 0.000 0.203 276 G HA3 -0.190 3.759 3.960 -0.019 0.000 0.203 276 G C -0.077 174.862 174.900 0.065 0.000 1.176 276 G CA -0.355 44.781 45.100 0.060 0.000 0.860 276 G HN 0.292 8.582 8.290 -0.000 0.000 0.507 277 W N 1.695 122.977 121.300 -0.029 0.000 2.210 277 W HA 0.426 5.075 4.660 -0.018 0.000 0.330 277 W C 0.515 176.964 176.519 -0.115 0.000 1.334 277 W CA -0.290 57.023 57.345 -0.053 0.000 1.227 277 W CB 0.528 29.963 29.460 -0.042 0.000 1.178 277 W HN 0.330 8.510 8.180 -0.000 0.000 0.560 278 Q N 6.571 125.687 119.800 -1.140 0.000 2.391 278 Q HA 0.452 4.780 4.340 -0.019 0.000 0.279 278 Q C -2.746 172.259 176.000 -1.658 0.000 1.028 278 Q CA -2.145 53.002 55.803 -1.094 0.000 0.836 278 Q CB 2.224 30.665 28.738 -0.495 0.000 1.414 278 Q HN 0.213 8.483 8.270 -0.000 0.000 0.397 279 P HA 0.017 4.437 4.420 -0.000 0.000 0.273 279 P C -0.740 176.337 177.300 -0.371 0.000 1.250 279 P CA -0.122 62.485 63.100 -0.822 0.000 0.793 279 P CB 0.494 31.752 31.700 -0.736 0.000 1.011 280 D N 1.139 121.510 120.400 -0.048 0.000 2.450 280 D HA -0.013 4.615 4.640 -0.019 0.000 0.247 280 D C 1.303 177.599 176.300 -0.006 0.000 1.162 280 D CA 0.294 54.298 54.000 0.007 0.000 0.879 280 D CB 0.539 41.410 40.800 0.119 0.000 1.163 280 D HN 0.388 8.758 8.370 -0.000 0.000 0.472 281 E N 1.218 121.391 120.200 -0.045 0.000 2.267 281 E HA -0.096 4.242 4.350 -0.019 0.000 0.197 281 E C 1.038 177.641 176.600 0.005 0.000 0.998 281 E CA 0.347 56.728 56.400 -0.032 0.000 0.830 281 E CB 0.154 29.830 29.700 -0.040 0.000 0.751 281 E HN 0.529 8.889 8.360 -0.000 0.000 0.491 282 A N 0.000 122.832 122.820 0.020 0.000 2.254 282 A HA 0.000 4.309 4.320 -0.019 0.000 0.244 282 A CA 0.000 52.053 52.037 0.027 0.000 0.836 282 A CB 0.000 19.017 19.000 0.029 0.000 0.831 282 A HN 0.000 8.150 8.150 -0.000 0.000 0.486