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 2kc0_1_A DATA FIRST_RESID 14 DATA SEQUENCE AGLADALTAP LDHKDKGLQS LTLDQSVRKN EKLKLAAQGA EKTYGNGDSL DATA SEQUENCE NTGKLKNDKV SRFDFIRQIE VDGQLITLES GEFQVYKQSH SALTAFQTEQ DATA SEQUENCE IQDSEHSGKM VAKRQFRIGD IAGEHTSFDK LPEGGRATYR GTAFGSDDAG DATA SEQUENCE GKLTYTIDFA AKQGNGKIEH LKSPELNVDL AAADIKPDGK RHAVISGSVL DATA SEQUENCE YNQAEKGSYS LGIFGGKAQE VAGSAEVKTV NGIRHIGLAA KQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 A HA 0.000 4.278 4.320 -0.071 0.000 0.244 14 A C 0.000 177.546 177.584 -0.063 0.000 1.274 14 A CA 0.000 51.993 52.037 -0.073 0.000 0.836 14 A CB 0.000 18.935 19.000 -0.108 0.000 0.831 15 G N -0.150 108.615 108.800 -0.059 0.000 2.708 15 G HA2 -0.164 3.785 3.960 -0.018 0.000 0.210 15 G HA3 -0.164 3.778 3.960 -0.029 0.000 0.210 15 G C 0.691 175.576 174.900 -0.025 0.000 1.141 15 G CA 0.707 45.787 45.100 -0.034 0.000 0.788 15 G HN 0.319 8.572 8.290 -0.063 0.000 0.531 16 L N 0.932 122.102 121.223 -0.089 0.000 2.012 16 L HA -0.506 3.815 4.340 -0.032 0.000 0.210 16 L C 2.140 179.061 176.870 0.085 0.000 1.073 16 L CA 2.331 57.108 54.840 -0.105 0.000 0.748 16 L CB -0.468 41.337 42.059 -0.424 0.000 0.891 16 L HN -0.217 7.859 8.230 -0.135 0.073 0.431 17 A N -2.931 119.909 122.820 0.033 0.000 1.930 17 A HA -0.329 4.050 4.320 0.098 0.000 0.217 17 A C 2.086 179.706 177.584 0.059 0.000 1.175 17 A CA 2.662 54.735 52.037 0.060 0.000 0.627 17 A CB -0.724 18.292 19.000 0.025 0.000 0.815 17 A HN -0.572 7.564 8.150 -0.022 0.000 0.443 18 D N 0.194 120.618 120.400 0.040 0.000 2.092 18 D HA -0.315 4.342 4.640 0.028 0.000 0.193 18 D C 1.384 177.712 176.300 0.047 0.000 0.994 18 D CA 3.052 57.072 54.000 0.034 0.000 0.828 18 D CB -0.400 40.412 40.800 0.020 0.000 0.963 18 D HN -0.093 8.293 8.370 0.026 0.000 0.450 19 A N -3.075 119.789 122.820 0.073 0.000 2.172 19 A HA -0.014 4.441 4.320 0.039 -0.111 0.216 19 A C 0.928 178.552 177.584 0.067 0.000 1.154 19 A CA 2.188 54.272 52.037 0.078 0.000 0.701 19 A CB -0.265 18.811 19.000 0.126 0.000 0.789 19 A HN -0.361 7.835 8.150 0.078 0.000 0.465 20 L N -6.275 115.004 121.223 0.094 0.000 2.357 20 L HA -0.046 4.284 4.340 -0.016 0.000 0.211 20 L C 1.320 178.205 176.870 0.024 0.000 1.075 20 L CA 1.279 56.147 54.840 0.047 0.000 0.830 20 L CB 0.361 42.480 42.059 0.101 0.000 0.996 20 L HN -0.760 7.383 8.230 0.120 0.159 0.467 21 T N -5.207 109.368 114.554 0.035 0.000 3.035 21 T HA -0.078 4.285 4.350 0.022 0.000 0.259 21 T C 0.320 175.031 174.700 0.018 0.000 1.078 21 T CA 1.287 63.402 62.100 0.025 0.000 1.132 21 T CB 0.651 69.536 68.868 0.028 0.000 0.900 21 T HN -0.440 7.829 8.240 0.048 0.000 0.480 22 A N 1.497 124.328 122.820 0.017 0.000 2.556 22 A HA 0.529 4.861 4.320 0.020 0.000 0.294 22 A C -3.115 174.477 177.584 0.013 0.000 1.091 22 A CA -2.320 49.729 52.037 0.019 0.000 0.704 22 A CB 0.795 19.809 19.000 0.023 0.000 1.300 22 A HN -0.081 8.082 8.150 0.021 0.000 0.406 23 P HA 0.096 4.499 4.420 -0.028 0.000 0.274 23 P C -1.661 175.653 177.300 0.023 0.000 1.246 23 P CA -0.722 62.386 63.100 0.013 0.000 0.795 23 P CB 0.728 32.470 31.700 0.070 0.000 1.006 24 L N 0.270 121.493 121.223 -0.000 0.000 2.687 24 L HA 0.215 4.569 4.340 0.022 0.000 0.252 24 L C -0.390 176.498 176.870 0.030 0.000 1.115 24 L CA -1.708 53.139 54.840 0.011 0.000 0.893 24 L CB 0.614 42.671 42.059 -0.002 0.000 1.670 24 L HN -0.286 7.922 8.230 -0.037 0.000 0.531 25 D N -0.787 119.631 120.400 0.030 0.000 2.660 25 D HA -0.156 4.523 4.640 0.065 0.000 0.253 25 D C 0.473 176.816 176.300 0.071 0.000 1.256 25 D CA 1.615 55.645 54.000 0.050 0.000 0.914 25 D CB -0.111 40.706 40.800 0.030 0.000 1.137 25 D HN -0.065 8.317 8.370 0.020 0.000 0.542 26 H N 5.555 124.626 119.070 0.001 0.000 2.551 26 H HA 0.058 4.613 4.556 -0.002 0.000 0.271 26 H C 0.447 175.777 175.328 0.003 0.000 0.984 26 H CA 0.557 56.605 56.048 0.000 0.000 1.164 26 H CB -0.017 29.744 29.762 -0.002 0.000 1.437 26 H HN 0.080 8.481 8.280 0.203 0.000 0.550 27 K N -1.064 119.422 120.400 0.143 0.000 2.097 27 K HA -0.170 4.208 4.320 0.097 0.000 0.205 27 K C -0.028 176.618 176.600 0.076 0.000 1.050 27 K CA 0.249 56.592 56.287 0.093 0.000 0.938 27 K CB -0.061 32.474 32.500 0.059 0.000 0.718 27 K HN -0.245 7.998 8.250 0.114 0.075 0.442 28 D N -0.822 119.611 120.400 0.055 0.000 8.056 28 D HA -0.170 4.487 4.640 0.029 0.000 0.105 28 D C 0.273 176.595 176.300 0.036 0.000 1.068 28 D CA 1.289 55.309 54.000 0.032 0.000 0.865 28 D CB 0.327 41.131 40.800 0.006 0.000 1.678 28 D HN -0.289 8.081 8.370 0.055 0.033 0.956 29 K N 4.839 125.261 120.400 0.037 0.000 2.536 29 K HA 0.205 4.546 4.320 0.035 0.000 0.203 29 K C -0.959 175.665 176.600 0.041 0.000 1.063 29 K CA -0.432 55.878 56.287 0.038 0.000 1.063 29 K CB 0.687 33.210 32.500 0.038 0.000 0.843 29 K HN -0.018 8.254 8.250 0.037 0.000 0.521 30 G N 1.088 109.913 108.800 0.042 0.000 4.103 30 G HA2 0.019 4.006 3.960 0.046 0.000 0.123 30 G HA3 0.019 4.019 3.960 0.067 0.000 0.123 30 G C -2.494 172.432 174.900 0.045 0.000 1.189 30 G CA 1.094 46.224 45.100 0.051 0.000 1.111 30 G HN -0.162 8.428 8.290 0.036 -0.278 0.399 31 L N 0.025 121.274 121.223 0.045 0.000 2.528 31 L HA 0.288 4.639 4.340 0.018 0.000 0.267 31 L C -2.488 174.390 176.870 0.013 0.000 0.961 31 L CA 0.441 55.297 54.840 0.027 0.000 0.866 31 L CB 1.813 43.891 42.059 0.033 0.000 1.248 31 L HN -0.354 7.909 8.230 0.054 0.000 0.404 32 Q N 2.245 122.046 119.800 0.001 0.000 2.103 32 Q HA 0.222 4.557 4.340 -0.008 0.000 0.219 32 Q C -1.148 174.837 176.000 -0.025 0.000 0.784 32 Q CA -0.597 55.201 55.803 -0.009 0.000 1.014 32 Q CB 2.144 30.879 28.738 -0.005 0.000 1.183 32 Q HN 0.646 9.373 8.270 -0.002 -0.459 0.469 33 S N -2.273 113.412 115.700 -0.024 0.000 2.661 33 S HA 0.447 5.062 4.470 -0.033 -0.165 0.268 33 S C -1.841 172.749 174.600 -0.017 0.000 1.162 33 S CA -0.932 57.247 58.200 -0.034 0.000 0.817 33 S CB 2.433 65.593 63.200 -0.066 0.000 1.141 33 S HN -0.835 7.486 8.310 -0.014 -0.020 0.477 34 L N 0.694 121.909 121.223 -0.013 0.000 2.401 34 L HA 0.373 4.719 4.340 0.009 0.000 0.266 34 L C -1.822 175.052 176.870 0.007 0.000 0.991 34 L CA -0.812 54.033 54.840 0.008 0.000 0.818 34 L CB 4.146 46.223 42.059 0.030 0.000 1.321 34 L HN 0.695 8.910 8.230 -0.026 0.000 0.413 35 T N 4.855 119.422 114.554 0.021 0.000 2.817 35 T HA 0.009 4.360 4.350 0.002 0.000 0.293 35 T C -0.441 174.292 174.700 0.055 0.000 0.964 35 T CA 1.463 63.577 62.100 0.023 0.000 1.085 35 T CB 0.445 69.327 68.868 0.023 0.000 0.921 35 T HN 0.466 8.721 8.240 0.025 0.000 0.502 36 L N 3.864 125.120 121.223 0.054 0.000 2.769 36 L HA 0.256 4.680 4.340 0.140 0.000 0.240 36 L C -0.261 176.660 176.870 0.085 0.000 1.163 36 L CA -0.541 54.360 54.840 0.102 0.000 0.962 36 L CB 1.050 43.181 42.059 0.121 0.000 1.258 36 L HN 0.493 8.643 8.230 0.025 0.095 0.513 37 D N -0.602 119.829 120.400 0.052 0.000 2.384 37 D HA -0.256 4.406 4.640 0.036 0.000 0.222 37 D C 0.347 176.655 176.300 0.014 0.000 0.976 37 D CA 2.618 56.638 54.000 0.032 0.000 0.915 37 D CB 0.137 40.951 40.800 0.023 0.000 0.896 37 D HN 0.436 8.832 8.370 0.045 0.000 0.523 38 Q N -3.394 116.413 119.800 0.011 0.000 2.288 38 Q HA 0.088 4.403 4.340 -0.041 0.000 0.256 38 Q C 0.817 176.770 176.000 -0.079 0.000 0.835 38 Q CA 1.241 57.025 55.803 -0.032 0.000 0.958 38 Q CB 0.584 29.302 28.738 -0.033 0.000 1.125 38 Q HN 0.048 8.248 8.270 0.036 0.092 0.513 39 S N 0.416 116.111 115.700 -0.007 0.000 2.400 39 S HA -0.182 4.142 4.470 -0.244 0.000 0.232 39 S C 0.313 174.883 174.600 -0.050 0.000 1.025 39 S CA 2.151 60.358 58.200 0.012 0.000 0.993 39 S CB 0.446 63.840 63.200 0.322 0.000 0.808 39 S HN -0.435 7.819 8.310 0.058 0.091 0.478 40 V N 0.356 120.257 119.914 -0.022 0.000 2.823 40 V HA 0.146 4.222 4.120 -0.072 0.000 0.312 40 V C -1.693 174.373 176.094 -0.047 0.000 1.072 40 V CA -1.837 60.432 62.300 -0.052 0.000 0.937 40 V CB 2.916 34.694 31.823 -0.075 0.000 1.013 40 V HN -0.716 7.474 8.190 0.016 0.010 0.430 41 R N 6.028 126.496 120.500 -0.053 0.000 2.756 41 R HA -0.134 4.182 4.340 -0.041 0.000 0.264 41 R C 1.461 177.744 176.300 -0.028 0.000 1.026 41 R CA 0.987 57.063 56.100 -0.041 0.000 1.121 41 R CB 0.743 31.019 30.300 -0.040 0.000 0.999 41 R HN 0.520 8.754 8.270 -0.060 0.000 0.449 42 K N 2.001 122.389 120.400 -0.020 0.000 2.442 42 K HA -0.207 4.278 4.320 -0.006 -0.169 0.198 42 K C -0.479 176.114 176.600 -0.012 0.000 1.044 42 K CA 2.668 58.949 56.287 -0.011 0.000 0.948 42 K CB -0.598 31.897 32.500 -0.008 0.000 0.762 42 K HN 0.439 8.676 8.250 -0.021 0.000 0.472 43 N N -4.496 114.193 118.700 -0.018 0.000 2.273 43 N HA 0.077 4.808 4.740 -0.014 0.000 0.192 43 N C -0.320 175.175 175.510 -0.026 0.000 1.132 43 N CA 0.010 53.049 53.050 -0.018 0.000 0.887 43 N CB 1.157 39.634 38.487 -0.016 0.000 1.048 43 N HN -0.039 8.256 8.380 -0.022 0.072 0.490 44 E N -0.442 119.736 120.200 -0.036 0.000 2.250 44 E HA 0.094 4.420 4.350 -0.041 0.000 0.265 44 E C -2.119 174.436 176.600 -0.076 0.000 1.033 44 E CA -0.472 55.900 56.400 -0.048 0.000 0.888 44 E CB 1.973 31.645 29.700 -0.046 0.000 1.151 44 E HN -0.723 7.501 8.360 -0.035 0.114 0.412 45 K N 1.568 121.916 120.400 -0.086 0.000 2.183 45 K HA 0.384 4.758 4.320 -0.138 -0.137 0.274 45 K C -1.964 174.520 176.600 -0.193 0.000 1.009 45 K CA -0.699 55.514 56.287 -0.124 0.000 0.888 45 K CB 2.327 34.780 32.500 -0.079 0.000 1.078 45 K HN 0.385 8.597 8.250 -0.064 0.000 0.459 46 L N 4.993 125.995 121.223 -0.369 0.000 2.333 46 L HA 0.741 5.053 4.340 -0.298 -0.151 0.280 46 L C -2.312 174.283 176.870 -0.459 0.000 1.004 46 L CA -1.890 52.618 54.840 -0.554 0.000 0.820 46 L CB 3.365 44.704 42.059 -1.199 0.000 1.247 46 L HN 0.921 8.803 8.230 -0.396 0.111 0.416 47 K N 6.586 126.865 120.400 -0.203 0.000 2.323 47 K HA 0.812 5.308 4.320 -0.041 -0.200 0.259 47 K C -2.282 174.320 176.600 0.004 0.000 0.947 47 K CA -1.964 54.282 56.287 -0.068 0.000 0.819 47 K CB 2.679 35.159 32.500 -0.033 0.000 1.109 47 K HN 0.457 8.630 8.250 -0.128 0.000 0.429 48 L N 5.971 127.221 121.223 0.044 0.000 2.333 48 L HA 0.776 5.292 4.340 0.078 -0.129 0.269 48 L C -2.052 174.854 176.870 0.061 0.000 1.010 48 L CA -1.446 53.408 54.840 0.023 0.000 0.818 48 L CB 4.746 46.713 42.059 -0.153 0.000 1.306 48 L HN 0.749 9.027 8.230 0.079 0.000 0.430 49 A N 0.838 123.744 122.820 0.144 0.000 2.589 49 A HA 0.657 5.209 4.320 0.176 -0.127 0.296 49 A C -2.888 174.881 177.584 0.308 0.000 1.062 49 A CA -0.418 51.731 52.037 0.187 0.000 0.686 49 A CB 3.854 22.921 19.000 0.110 0.000 1.282 49 A HN 0.707 8.984 8.150 0.211 0.000 0.404 50 A N 0.185 123.168 122.820 0.271 0.000 2.594 50 A HA 0.324 4.709 4.320 0.108 0.000 0.296 50 A C -1.953 175.672 177.584 0.067 0.000 1.056 50 A CA 0.137 52.263 52.037 0.149 0.000 0.693 50 A CB 2.444 21.469 19.000 0.042 0.000 1.278 50 A HN 0.081 8.383 8.150 0.254 0.000 0.408 51 Q N 1.103 120.912 119.800 0.014 0.000 2.434 51 Q HA -0.409 3.925 4.340 -0.010 0.000 0.299 51 Q C -0.278 175.730 176.000 0.013 0.000 1.286 51 Q CA 0.758 56.557 55.803 -0.007 0.000 0.872 51 Q CB -1.673 27.037 28.738 -0.048 0.000 1.193 51 Q HN 0.753 9.028 8.270 0.010 0.000 0.466 52 G N -7.117 101.699 108.800 0.027 0.000 2.175 52 G HA2 -0.284 3.691 3.960 0.025 0.000 0.244 52 G HA3 -0.284 3.688 3.960 0.020 0.000 0.244 52 G C -1.498 173.426 174.900 0.040 0.000 0.982 52 G CA -0.485 44.631 45.100 0.028 0.000 0.641 52 G HN -0.051 8.255 8.290 0.027 0.000 0.527 53 A N 0.602 123.459 122.820 0.062 0.000 2.435 53 A HA 0.501 4.855 4.320 0.056 0.000 0.296 53 A C -2.701 174.940 177.584 0.095 0.000 1.147 53 A CA -1.158 50.924 52.037 0.075 0.000 0.775 53 A CB 2.646 21.697 19.000 0.086 0.000 1.340 53 A HN -0.289 7.732 8.150 0.072 0.173 0.427 54 E N -3.037 117.210 120.200 0.079 0.000 2.347 54 E HA 0.440 5.003 4.350 0.091 -0.158 0.285 54 E C -1.739 174.893 176.600 0.054 0.000 0.925 54 E CA -1.224 55.219 56.400 0.072 0.000 0.779 54 E CB 3.427 33.161 29.700 0.057 0.000 1.233 54 E HN 0.112 8.511 8.360 0.066 0.000 0.414 55 K N 4.281 124.711 120.400 0.050 0.000 2.206 55 K HA 0.362 4.703 4.320 0.035 0.000 0.264 55 K C -1.281 175.429 176.600 0.183 0.000 0.967 55 K CA -0.955 55.369 56.287 0.061 0.000 0.844 55 K CB 2.492 34.962 32.500 -0.049 0.000 1.099 55 K HN 0.641 8.801 8.250 0.047 0.119 0.441 56 T N 8.210 122.880 114.554 0.194 0.000 2.864 56 T HA 0.832 5.434 4.350 0.122 -0.178 0.299 56 T C -1.048 173.796 174.700 0.241 0.000 1.011 56 T CA -0.557 61.645 62.100 0.169 0.000 0.975 56 T CB 0.548 69.457 68.868 0.067 0.000 0.962 56 T HN 0.224 8.539 8.240 0.127 0.000 0.448 57 Y N 4.125 124.395 120.300 -0.050 0.000 2.900 57 Y HA 0.564 5.092 4.550 -0.037 0.000 0.318 57 Y C -2.433 173.443 175.900 -0.040 0.000 1.457 57 Y CA -2.071 56.000 58.100 -0.049 0.000 1.082 57 Y CB 1.536 39.954 38.460 -0.069 0.000 1.419 57 Y HN 0.840 9.092 8.280 -0.046 0.000 0.459 58 G N -2.922 105.908 108.800 0.049 0.000 2.342 58 G HA2 -0.004 3.910 3.960 -0.153 0.000 0.297 58 G HA3 -0.004 3.972 3.960 -0.051 -0.046 0.297 58 G C -1.174 173.747 174.900 0.035 0.000 1.313 58 G CA 0.190 45.264 45.100 -0.044 0.000 0.830 58 G HN -0.210 8.219 8.290 0.231 0.000 0.506 59 N N 0.438 119.140 118.700 0.004 0.000 2.502 59 N HA -0.540 4.250 4.740 -0.001 -0.051 0.217 59 N C -1.387 174.140 175.510 0.028 0.000 0.320 59 N CA 2.744 55.802 53.050 0.013 0.000 4.005 59 N CB 0.005 38.501 38.487 0.015 0.000 0.857 59 N HN 0.088 8.453 8.380 -0.025 0.000 0.254 60 G N -1.550 107.283 108.800 0.056 0.000 3.163 60 G HA2 0.020 4.016 3.960 0.060 0.000 0.266 60 G HA3 0.020 4.135 3.960 0.034 -0.134 0.266 60 G C -2.016 172.916 174.900 0.054 0.000 3.692 60 G CA 0.272 45.404 45.100 0.053 0.000 0.490 60 G HN -0.202 8.065 8.290 0.072 0.066 0.318 61 D N 2.155 122.599 120.400 0.074 0.000 2.723 61 D HA 0.436 5.068 4.640 -0.014 0.000 0.205 61 D C -1.383 174.881 176.300 -0.060 0.000 1.295 61 D CA -1.822 52.176 54.000 -0.004 0.000 1.112 61 D CB 0.982 41.764 40.800 -0.031 0.000 1.193 61 D HN -0.225 8.222 8.370 0.128 0.000 0.610 62 S N -2.359 113.234 115.700 -0.179 0.000 2.661 62 S HA 0.540 5.080 4.470 -0.086 -0.122 0.268 62 S C -1.930 172.517 174.600 -0.255 0.000 1.162 62 S CA -0.659 57.446 58.200 -0.159 0.000 0.817 62 S CB 2.727 65.852 63.200 -0.124 0.000 1.141 62 S HN -0.097 8.019 8.310 -0.324 0.000 0.477 63 L N 0.528 121.659 121.223 -0.153 0.000 2.464 63 L HA 0.335 4.549 4.340 -0.210 0.000 0.266 63 L C -2.383 174.443 176.870 -0.074 0.000 0.965 63 L CA -0.459 54.296 54.840 -0.141 0.000 0.833 63 L CB 4.487 46.493 42.059 -0.088 0.000 1.296 63 L HN 0.337 8.513 8.230 -0.090 0.000 0.405 64 N N 5.642 124.298 118.700 -0.074 0.000 2.479 64 N HA 0.213 4.912 4.740 -0.068 0.000 0.285 64 N C -0.081 175.420 175.510 -0.015 0.000 1.075 64 N CA 0.730 53.745 53.050 -0.059 0.000 0.967 64 N CB 1.279 39.716 38.487 -0.084 0.000 1.137 64 N HN 0.698 9.023 8.380 -0.091 0.000 0.472 65 T N -2.141 112.405 114.554 -0.014 0.000 3.087 65 T HA 0.217 4.575 4.350 0.013 0.000 0.283 65 T C 1.280 175.977 174.700 -0.005 0.000 0.956 65 T CA -0.719 61.382 62.100 0.001 0.000 0.894 65 T CB 2.205 71.076 68.868 0.004 0.000 1.160 65 T HN 0.362 8.477 8.240 -0.026 0.110 0.532 66 G N 4.126 112.921 108.800 -0.009 0.000 2.855 66 G HA2 -0.437 3.519 3.960 -0.006 0.000 0.227 66 G HA3 -0.437 3.722 3.960 -0.000 -0.200 0.227 66 G C 0.894 175.791 174.900 -0.005 0.000 1.245 66 G CA 2.232 47.330 45.100 -0.005 0.000 0.781 66 G HN -0.047 8.233 8.290 -0.016 0.000 0.666 67 K N 1.295 121.694 120.400 -0.001 0.000 2.862 67 K HA 0.114 4.431 4.320 -0.005 0.000 0.229 67 K C -1.312 175.284 176.600 -0.006 0.000 1.107 67 K CA -1.073 55.213 56.287 -0.002 0.000 1.222 67 K CB -0.616 31.886 32.500 0.003 0.000 1.067 67 K HN -0.138 8.129 8.250 0.003 -0.015 0.464 68 L N -1.466 119.751 121.223 -0.009 0.000 2.365 68 L HA 0.077 4.408 4.340 -0.016 0.000 0.267 68 L C -0.613 176.245 176.870 -0.020 0.000 1.033 68 L CA -1.177 53.654 54.840 -0.015 0.000 0.802 68 L CB 1.695 43.747 42.059 -0.011 0.000 1.267 68 L HN -0.830 7.292 8.230 -0.010 0.101 0.457 69 K N 0.300 120.685 120.400 -0.025 0.000 2.286 69 K HA -0.123 4.183 4.320 -0.024 0.000 0.256 69 K C -0.755 175.831 176.600 -0.023 0.000 0.999 69 K CA 0.426 56.697 56.287 -0.026 0.000 0.908 69 K CB 0.802 33.285 32.500 -0.029 0.000 0.981 69 K HN 0.184 8.416 8.250 -0.029 0.000 0.500 70 N N 0.246 118.933 118.700 -0.021 0.000 2.458 70 N HA 0.040 4.770 4.740 -0.017 0.000 0.271 70 N C -0.831 174.686 175.510 0.010 0.000 1.210 70 N CA -0.140 52.901 53.050 -0.016 0.000 0.978 70 N CB 0.392 38.861 38.487 -0.031 0.000 1.206 70 N HN 0.049 8.416 8.380 -0.021 0.000 0.536 71 D N -6.233 114.191 120.400 0.040 0.000 2.686 71 D HA -0.380 4.380 4.640 0.128 -0.044 0.235 71 D C -1.525 174.860 176.300 0.143 0.000 1.160 71 D CA 1.458 55.516 54.000 0.096 0.000 0.645 71 D CB -2.191 38.640 40.800 0.053 0.000 1.039 71 D HN 0.304 8.685 8.370 0.018 0.000 0.423 72 K N -6.169 114.297 120.400 0.109 0.000 2.509 72 K HA 0.375 4.631 4.320 -0.105 0.000 0.266 72 K C -2.512 173.836 176.600 -0.421 0.000 0.987 72 K CA -1.970 54.256 56.287 -0.102 0.000 0.868 72 K CB 3.333 35.771 32.500 -0.104 0.000 1.421 72 K HN -0.095 8.235 8.250 0.135 0.000 0.444 73 V N 1.170 120.693 119.914 -0.651 0.000 2.427 73 V HA 0.304 4.043 4.120 -0.857 -0.133 0.286 73 V C -0.173 175.693 176.094 -0.380 0.000 1.034 73 V CA -0.447 61.413 62.300 -0.734 0.000 0.893 73 V CB 1.072 32.400 31.823 -0.825 0.000 0.982 73 V HN 0.245 8.142 8.190 -0.488 0.000 0.452 74 S N 7.709 123.233 115.700 -0.293 0.000 2.549 74 S HA 0.350 4.678 4.470 -0.236 0.000 0.297 74 S C -1.630 172.856 174.600 -0.191 0.000 1.115 74 S CA -0.918 57.149 58.200 -0.222 0.000 1.059 74 S CB 1.930 65.038 63.200 -0.153 0.000 1.046 74 S HN 0.884 8.934 8.310 -0.281 0.091 0.506 75 R N 2.267 122.622 120.500 -0.241 0.000 2.393 75 R HA 0.702 5.167 4.340 -0.053 -0.157 0.310 75 R C -1.380 174.825 176.300 -0.158 0.000 0.968 75 R CA -0.851 55.162 56.100 -0.146 0.000 0.867 75 R CB 1.965 32.184 30.300 -0.136 0.000 1.124 75 R HN 0.138 8.218 8.270 -0.317 0.000 0.450 76 F N 2.794 122.788 119.950 0.074 0.000 2.601 76 F HA 0.134 4.718 4.527 0.095 0.000 0.309 76 F C -2.281 173.627 175.800 0.179 0.000 1.089 76 F CA -0.579 57.503 58.000 0.137 0.000 0.940 76 F CB 4.788 43.922 39.000 0.224 0.000 1.273 76 F HN 0.256 8.943 8.300 0.272 -0.224 0.450 77 D N 1.702 122.342 120.400 0.400 0.000 2.264 77 D HA 0.332 5.088 4.640 0.193 0.000 0.250 77 D C -1.197 175.260 176.300 0.263 0.000 1.113 77 D CA -1.062 53.083 54.000 0.242 0.000 0.871 77 D CB 2.121 43.003 40.800 0.136 0.000 1.167 77 D HN -0.189 8.456 8.370 0.457 0.000 0.447 78 F N 2.066 122.044 119.950 0.047 0.000 2.662 78 F HA 0.887 5.505 4.527 -0.048 -0.120 0.312 78 F C -3.099 172.693 175.800 -0.013 0.000 1.113 78 F CA -2.274 55.708 58.000 -0.030 0.000 0.951 78 F CB 4.005 42.925 39.000 -0.134 0.000 1.344 78 F HN -0.205 8.049 8.300 -0.076 0.000 0.462 79 I N 1.019 121.495 120.570 -0.157 0.000 2.656 79 I HA 0.587 4.622 4.170 -0.465 -0.145 0.292 79 I C -2.724 173.438 176.117 0.075 0.000 1.144 79 I CA -1.771 59.416 61.300 -0.189 0.000 1.038 79 I CB 5.093 43.006 38.000 -0.145 0.000 1.244 79 I HN 0.904 9.180 8.210 0.109 0.000 0.420 80 R N 7.267 127.835 120.500 0.113 0.000 2.295 80 R HA 0.745 5.254 4.340 0.031 -0.150 0.324 80 R C -1.501 174.808 176.300 0.014 0.000 0.968 80 R CA -1.902 54.253 56.100 0.090 0.000 0.837 80 R CB 1.564 31.968 30.300 0.174 0.000 1.133 80 R HN 0.818 9.113 8.270 0.042 0.000 0.450 81 Q N 2.580 122.367 119.800 -0.021 0.000 2.687 81 Q HA 0.605 4.934 4.340 -0.019 0.000 0.305 81 Q C -2.457 173.523 176.000 -0.033 0.000 1.006 81 Q CA -1.654 54.133 55.803 -0.027 0.000 0.763 81 Q CB 4.363 33.081 28.738 -0.033 0.000 1.506 81 Q HN 0.803 9.047 8.270 -0.043 0.000 0.459 82 I N -1.801 118.753 120.570 -0.026 0.000 3.006 82 I HA 0.324 4.475 4.170 -0.031 0.000 0.306 82 I C -2.301 173.805 176.117 -0.019 0.000 1.250 82 I CA -1.432 59.853 61.300 -0.025 0.000 0.996 82 I CB 3.950 41.937 38.000 -0.021 0.000 1.261 82 I HN -0.167 8.030 8.210 -0.022 0.000 0.442 83 E N 4.352 124.541 120.200 -0.017 0.000 2.200 83 E HA 0.549 5.075 4.350 -0.012 -0.183 0.283 83 E C -0.606 175.988 176.600 -0.010 0.000 1.015 83 E CA -0.403 55.989 56.400 -0.013 0.000 0.819 83 E CB 1.072 30.765 29.700 -0.012 0.000 1.081 83 E HN 0.358 8.706 8.360 -0.019 0.000 0.397 84 V N 3.187 123.096 119.914 -0.008 0.000 2.350 84 V HA 0.331 4.447 4.120 -0.007 0.000 0.285 84 V C -0.519 175.571 176.094 -0.005 0.000 1.014 84 V CA -1.797 60.499 62.300 -0.006 0.000 0.831 84 V CB 0.977 32.797 31.823 -0.005 0.000 1.000 84 V HN 0.887 9.073 8.190 -0.008 0.000 0.433 85 D N 8.997 129.394 120.400 -0.005 0.000 2.811 85 D HA -0.346 4.292 4.640 -0.004 0.000 0.231 85 D C 0.208 176.505 176.300 -0.004 0.000 1.157 85 D CA 1.027 55.025 54.000 -0.004 0.000 0.716 85 D CB -1.176 39.621 40.800 -0.004 0.000 1.077 85 D HN 0.904 9.271 8.370 -0.006 0.000 0.428 86 G N -5.568 103.229 108.800 -0.004 0.000 2.179 86 G HA2 -0.415 3.736 3.960 -0.004 0.000 0.260 86 G HA3 -0.415 3.543 3.960 -0.003 0.000 0.260 86 G C -1.109 173.789 174.900 -0.004 0.000 0.977 86 G CA 0.037 45.134 45.100 -0.004 0.000 0.641 86 G HN 0.052 8.300 8.290 -0.005 0.039 0.533 87 Q N -0.775 119.023 119.800 -0.004 0.000 2.274 87 Q HA 0.248 4.586 4.340 -0.003 0.000 0.260 87 Q C -1.376 174.621 176.000 -0.005 0.000 0.974 87 Q CA -1.417 54.383 55.803 -0.004 0.000 0.876 87 Q CB 2.090 30.827 28.738 -0.002 0.000 1.297 87 Q HN -0.132 7.940 8.270 -0.005 0.195 0.446 88 L N 4.450 125.670 121.223 -0.006 0.000 2.287 88 L HA 0.342 4.675 4.340 -0.011 0.000 0.287 88 L C -1.138 175.727 176.870 -0.008 0.000 1.022 88 L CA -0.679 54.155 54.840 -0.009 0.000 0.814 88 L CB 0.772 42.825 42.059 -0.009 0.000 1.217 88 L HN 0.322 8.549 8.230 -0.004 0.000 0.420 89 I N 6.544 127.109 120.570 -0.009 0.000 2.433 89 I HA 0.205 4.371 4.170 -0.006 0.000 0.292 89 I C -0.429 175.679 176.117 -0.014 0.000 1.001 89 I CA -1.021 60.275 61.300 -0.008 0.000 1.119 89 I CB 2.484 40.482 38.000 -0.003 0.000 1.289 89 I HN -0.075 8.129 8.210 -0.011 0.000 0.438 90 T N 6.604 121.148 114.554 -0.017 0.000 3.455 90 T HA 0.145 4.477 4.350 -0.031 0.000 0.286 90 T C 0.289 174.973 174.700 -0.026 0.000 1.157 90 T CA -1.029 61.055 62.100 -0.027 0.000 1.090 90 T CB -0.892 67.955 68.868 -0.034 0.000 1.112 90 T HN 0.278 8.649 8.240 -0.014 -0.139 0.779 91 L N 4.122 125.334 121.223 -0.019 0.000 1.976 91 L HA -0.174 4.162 4.340 -0.007 0.000 0.209 91 L C -0.165 176.698 176.870 -0.011 0.000 1.071 91 L CA 2.321 57.155 54.840 -0.010 0.000 0.746 91 L CB 0.264 42.320 42.059 -0.004 0.000 0.890 91 L HN -0.357 7.861 8.230 -0.019 0.000 0.432 92 E N -5.699 114.493 120.200 -0.013 0.000 2.290 92 E HA 0.207 4.542 4.350 -0.025 0.000 0.274 92 E C -2.309 174.230 176.600 -0.102 0.000 0.889 92 E CA -0.815 55.574 56.400 -0.018 0.000 0.760 92 E CB 4.091 33.815 29.700 0.039 0.000 1.206 92 E HN -0.431 7.923 8.360 -0.011 0.000 0.419 93 S N 2.388 117.985 115.700 -0.172 0.000 2.542 93 S HA 0.786 4.975 4.470 -0.664 -0.118 0.293 93 S C -1.433 172.942 174.600 -0.375 0.000 1.089 93 S CA -2.311 55.659 58.200 -0.384 0.000 0.961 93 S CB 2.578 65.621 63.200 -0.261 0.000 1.062 93 S HN 0.265 8.511 8.310 -0.106 0.000 0.483 94 G N 2.110 110.497 108.800 -0.690 0.000 2.494 94 G HA2 0.252 4.150 3.960 -0.103 0.000 0.308 94 G HA3 0.252 4.307 3.960 -0.073 -0.138 0.308 94 G C -3.469 171.378 174.900 -0.088 0.000 1.263 94 G CA 0.674 45.606 45.100 -0.279 0.000 0.840 94 G HN -0.018 7.434 8.290 -1.397 0.000 0.479 95 E N 0.427 120.791 120.200 0.272 0.000 2.134 95 E HA 0.546 5.293 4.350 0.350 -0.186 0.278 95 E C -1.776 175.077 176.600 0.422 0.000 0.959 95 E CA -2.092 54.517 56.400 0.349 0.000 0.783 95 E CB 2.373 32.199 29.700 0.211 0.000 1.095 95 E HN -0.032 8.383 8.360 0.264 0.104 0.399 96 F N 7.696 127.785 119.950 0.231 0.000 2.377 96 F HA 0.106 4.323 4.527 -0.517 0.000 0.360 96 F C -1.603 174.192 175.800 -0.008 0.000 1.147 96 F CA -0.374 57.532 58.000 -0.157 0.000 1.170 96 F CB 0.719 39.530 39.000 -0.315 0.000 1.339 96 F HN -0.075 8.648 8.300 0.705 0.000 0.552 97 Q N 8.606 128.195 119.800 -0.352 0.000 2.390 97 Q HA 0.304 4.695 4.340 -0.127 -0.128 0.249 97 Q C -1.876 173.895 176.000 -0.381 0.000 0.996 97 Q CA -1.210 54.455 55.803 -0.231 0.000 0.899 97 Q CB 1.617 30.320 28.738 -0.057 0.000 1.216 97 Q HN 0.212 8.207 8.270 -0.458 0.000 0.465 98 V N 8.620 128.360 119.914 -0.290 0.000 2.313 98 V HA 0.144 4.074 4.120 -0.317 0.000 0.278 98 V C -1.673 174.312 176.094 -0.183 0.000 1.017 98 V CA -0.652 61.503 62.300 -0.242 0.000 0.823 98 V CB 0.630 32.407 31.823 -0.077 0.000 1.010 98 V HN 0.738 8.819 8.190 -0.182 0.000 0.443 99 Y N 9.844 130.011 120.300 -0.222 0.000 2.336 99 Y HA 0.298 4.858 4.550 -0.221 -0.143 0.335 99 Y C -1.237 174.580 175.900 -0.138 0.000 1.046 99 Y CA -0.716 57.256 58.100 -0.213 0.000 1.198 99 Y CB 2.150 40.444 38.460 -0.275 0.000 1.182 99 Y HN 0.893 9.155 8.280 -0.031 0.000 0.502 100 K N 6.168 126.674 120.400 0.177 0.000 2.307 100 K HA 0.367 4.715 4.320 0.048 0.000 0.263 100 K C -1.586 175.083 176.600 0.115 0.000 0.973 100 K CA -2.116 54.224 56.287 0.088 0.000 0.846 100 K CB 2.039 34.551 32.500 0.019 0.000 1.100 100 K HN 0.791 9.126 8.250 0.141 0.000 0.438 101 Q N 3.929 123.738 119.800 0.014 0.000 2.814 101 Q HA 0.579 5.133 4.340 0.007 -0.210 0.283 101 Q C 0.135 176.096 176.000 -0.065 0.000 1.071 101 Q CA -2.023 53.760 55.803 -0.033 0.000 0.849 101 Q CB 4.019 32.683 28.738 -0.123 0.000 1.437 101 Q HN 0.424 8.682 8.270 -0.020 0.000 0.492 102 S N 1.019 116.675 115.700 -0.073 0.000 2.533 102 S HA -0.084 4.234 4.470 -0.255 0.000 0.282 102 S C 0.371 174.912 174.600 -0.098 0.000 1.304 102 S CA 1.047 59.157 58.200 -0.151 0.000 1.063 102 S CB 0.116 63.282 63.200 -0.057 0.000 0.881 102 S HN 0.123 8.630 8.310 -0.044 -0.222 0.493 103 H N -1.504 117.580 119.070 0.023 0.000 3.486 103 H HA -0.381 4.199 4.556 0.041 0.000 0.251 103 H C -1.662 173.680 175.328 0.023 0.000 1.043 103 H CA 1.976 58.050 56.048 0.044 0.000 1.205 103 H CB -1.353 28.466 29.762 0.095 0.000 1.257 103 H HN 0.637 8.490 8.280 -0.712 0.000 0.318 104 S N -4.164 111.537 115.700 0.002 0.000 2.579 104 S HA 0.517 5.096 4.470 -0.055 -0.143 0.272 104 S C -2.230 172.297 174.600 -0.123 0.000 1.141 104 S CA -0.973 57.156 58.200 -0.119 0.000 0.843 104 S CB 4.055 66.999 63.200 -0.427 0.000 1.122 104 S HN -0.596 7.568 8.310 -0.038 0.123 0.468 105 A N -1.368 121.381 122.820 -0.118 0.000 2.594 105 A HA 0.581 4.955 4.320 -0.059 -0.089 0.296 105 A C -2.944 174.608 177.584 -0.053 0.000 1.061 105 A CA -0.081 51.918 52.037 -0.064 0.000 0.689 105 A CB 3.351 22.338 19.000 -0.021 0.000 1.280 105 A HN 0.135 8.205 8.150 -0.134 0.000 0.406 106 L N -3.659 117.557 121.223 -0.011 0.000 2.424 106 L HA 1.104 5.635 4.340 0.005 -0.189 0.258 106 L C -1.623 175.248 176.870 0.002 0.000 0.995 106 L CA -1.057 53.792 54.840 0.015 0.000 0.821 106 L CB 3.930 46.020 42.059 0.051 0.000 1.383 106 L HN -0.060 8.188 8.230 0.029 0.000 0.410 107 T N 1.325 115.856 114.554 -0.039 0.000 2.945 107 T HA 0.669 4.991 4.350 -0.297 -0.150 0.286 107 T C -0.970 173.674 174.700 -0.093 0.000 1.025 107 T CA -2.383 59.592 62.100 -0.209 0.000 1.039 107 T CB 2.027 70.651 68.868 -0.406 0.000 1.068 107 T HN -0.360 7.877 8.240 -0.004 0.000 0.497 108 A N 3.336 126.023 122.820 -0.220 0.000 2.539 108 A HA 0.335 4.672 4.320 -0.103 -0.079 0.296 108 A C -2.594 174.790 177.584 -0.334 0.000 1.073 108 A CA -1.327 50.614 52.037 -0.159 0.000 0.700 108 A CB 3.198 22.260 19.000 0.103 0.000 1.296 108 A HN 0.116 7.968 8.150 -0.496 0.000 0.405 109 F N -1.197 118.511 119.950 -0.404 0.000 2.425 109 F HA 0.483 5.102 4.527 -0.024 -0.107 0.331 109 F C -0.406 175.318 175.800 -0.127 0.000 1.085 109 F CA -0.723 57.169 58.000 -0.180 0.000 1.028 109 F CB 4.400 43.322 39.000 -0.131 0.000 1.177 109 F HN 0.600 8.708 8.300 -0.320 0.000 0.487 110 Q N 3.934 123.907 119.800 0.288 0.000 3.300 110 Q HA 0.292 4.956 4.340 0.361 -0.107 0.271 110 Q C -1.332 174.863 176.000 0.324 0.000 0.926 110 Q CA -1.103 54.906 55.803 0.343 0.000 0.788 110 Q CB 2.025 30.976 28.738 0.354 0.000 1.385 110 Q HN 0.472 8.980 8.270 0.396 0.000 0.424 111 T N 5.938 120.682 114.554 0.315 0.000 2.794 111 T HA -0.097 4.360 4.350 0.178 0.000 0.296 111 T C -1.180 173.601 174.700 0.135 0.000 0.949 111 T CA 0.594 62.828 62.100 0.223 0.000 1.101 111 T CB 0.750 69.762 68.868 0.239 0.000 0.905 111 T HN 0.346 8.768 8.240 0.303 0.000 0.516 112 E N 7.567 127.810 120.200 0.070 0.000 3.249 112 E HA 0.408 4.895 4.350 0.071 -0.095 0.184 112 E C -0.247 176.366 176.600 0.022 0.000 1.163 112 E CA 0.434 56.866 56.400 0.053 0.000 1.353 112 E CB 2.975 32.706 29.700 0.051 0.000 1.466 112 E HN 0.580 8.956 8.360 0.027 0.000 0.502 113 Q N -0.342 119.454 119.800 -0.008 0.000 2.360 113 Q HA 0.639 5.164 4.340 -0.006 -0.188 0.254 113 Q C -0.693 175.289 176.000 -0.029 0.000 0.975 113 Q CA -0.367 55.426 55.803 -0.018 0.000 0.912 113 Q CB 1.053 29.775 28.738 -0.025 0.000 1.212 113 Q HN -0.591 7.664 8.270 -0.025 0.000 0.452 114 I N -0.686 119.874 120.570 -0.016 0.000 2.802 114 I HA 0.484 4.699 4.170 -0.026 -0.060 0.298 114 I C -2.377 173.735 176.117 -0.010 0.000 1.176 114 I CA -1.679 59.612 61.300 -0.014 0.000 1.025 114 I CB 4.098 42.099 38.000 0.002 0.000 1.243 114 I HN 0.974 9.179 8.210 -0.007 0.000 0.424 115 Q N 2.531 122.325 119.800 -0.009 0.000 2.340 115 Q HA 0.131 4.659 4.340 -0.010 -0.194 0.249 115 Q C -0.167 175.836 176.000 0.004 0.000 0.957 115 Q CA -0.241 55.559 55.803 -0.005 0.000 0.882 115 Q CB 1.353 30.090 28.738 -0.003 0.000 1.235 115 Q HN -0.104 8.158 8.270 -0.014 0.000 0.439 116 D N 1.924 122.328 120.400 0.007 0.000 2.277 116 D HA 0.091 4.740 4.640 0.015 0.000 0.249 116 D C -0.131 176.189 176.300 0.033 0.000 1.134 116 D CA -0.477 53.534 54.000 0.018 0.000 0.863 116 D CB 1.185 41.995 40.800 0.016 0.000 1.143 116 D HN -0.272 8.099 8.370 0.001 0.000 0.458 117 S N 7.358 123.075 115.700 0.028 0.000 3.697 117 S HA 0.051 4.537 4.470 0.026 0.000 0.207 117 S C -0.576 174.043 174.600 0.031 0.000 1.459 117 S CA 0.735 58.951 58.200 0.026 0.000 1.122 117 S CB -1.390 61.819 63.200 0.015 0.000 1.311 117 S HN 0.423 8.746 8.310 0.023 0.000 0.487 118 E N -0.681 119.550 120.200 0.051 0.000 2.624 118 E HA 0.087 4.453 4.350 0.026 0.000 0.192 118 E C -0.172 176.471 176.600 0.073 0.000 0.961 118 E CA 0.623 57.053 56.400 0.051 0.000 1.632 118 E CB 0.593 30.326 29.700 0.055 0.000 2.082 118 E HN -0.032 8.281 8.360 0.067 0.087 1.040 119 H N 0.068 119.137 119.070 -0.002 0.000 3.058 119 H HA 0.298 4.853 4.556 -0.002 0.000 0.266 119 H C -0.285 175.041 175.328 -0.003 0.000 1.135 119 H CA -0.200 55.847 56.048 -0.002 0.000 1.174 119 H CB 1.704 31.465 29.762 -0.001 0.000 1.581 119 H HN -0.598 7.785 8.280 0.172 0.000 0.553 120 S N -1.545 114.235 115.700 0.134 0.000 3.319 120 S HA -0.355 4.147 4.470 0.052 0.000 0.319 120 S C -0.792 173.855 174.600 0.078 0.000 1.236 120 S CA 1.258 59.505 58.200 0.079 0.000 0.964 120 S CB -0.593 62.636 63.200 0.048 0.000 1.040 120 S HN -0.192 8.179 8.310 0.103 0.000 0.620 121 G N -4.790 104.062 108.800 0.087 0.000 4.731 121 G HA2 0.016 3.989 3.960 0.020 0.000 0.224 121 G HA3 0.016 4.013 3.960 0.061 0.000 0.224 121 G C -0.827 174.051 174.900 -0.037 0.000 0.955 121 G CA 0.028 45.150 45.100 0.037 0.000 0.809 121 G HN 0.202 8.479 8.290 0.125 0.088 0.307 122 K N 0.322 120.687 120.400 -0.059 0.000 2.132 122 K HA 0.409 4.655 4.320 -0.125 0.000 0.241 122 K C -1.286 175.285 176.600 -0.048 0.000 1.000 122 K CA -1.176 55.053 56.287 -0.096 0.000 0.911 122 K CB 2.143 34.572 32.500 -0.118 0.000 1.093 122 K HN -0.087 8.156 8.250 -0.011 0.000 0.460 123 M N 0.308 119.880 119.600 -0.047 0.000 2.602 123 M HA 0.460 5.068 4.480 -0.023 -0.142 0.312 123 M C -0.798 175.488 176.300 -0.023 0.000 1.181 123 M CA -1.527 53.755 55.300 -0.029 0.000 0.910 123 M CB 2.601 35.185 32.600 -0.027 0.000 1.723 123 M HN -0.018 8.236 8.290 -0.061 0.000 0.459 124 V N 0.542 120.448 119.914 -0.012 0.000 2.841 124 V HA 0.365 4.482 4.120 -0.005 0.000 0.310 124 V C -2.011 174.084 176.094 0.003 0.000 1.090 124 V CA -1.166 61.132 62.300 -0.003 0.000 0.930 124 V CB 4.029 35.853 31.823 0.003 0.000 1.014 124 V HN 0.627 8.810 8.190 -0.011 0.000 0.425 125 A N 5.467 128.292 122.820 0.009 0.000 2.508 125 A HA 0.662 5.183 4.320 0.016 -0.192 0.336 125 A C -0.697 176.903 177.584 0.027 0.000 1.360 125 A CA -1.422 50.625 52.037 0.016 0.000 0.841 125 A CB 0.578 19.585 19.000 0.012 0.000 1.136 125 A HN 0.327 8.482 8.150 0.008 0.000 0.489 126 K N 2.790 123.212 120.400 0.037 0.000 2.399 126 K HA 0.261 4.609 4.320 0.047 0.000 0.247 126 K C -0.166 176.474 176.600 0.067 0.000 1.036 126 K CA -2.381 53.937 56.287 0.051 0.000 0.977 126 K CB 1.374 33.907 32.500 0.055 0.000 1.272 126 K HN 0.175 8.446 8.250 0.035 0.000 0.501 127 R N -1.573 118.979 120.500 0.086 0.000 2.718 127 R HA 0.128 4.538 4.340 0.117 0.000 0.307 127 R C -0.978 175.415 176.300 0.156 0.000 1.244 127 R CA -0.521 55.646 56.100 0.112 0.000 1.348 127 R CB 0.110 30.467 30.300 0.095 0.000 1.304 127 R HN 0.401 8.722 8.270 0.084 0.000 0.663 128 Q N 1.695 121.592 119.800 0.163 0.000 2.377 128 Q HA 0.216 4.671 4.340 0.192 0.000 0.249 128 Q C -2.069 174.081 176.000 0.251 0.000 1.005 128 Q CA -1.221 54.692 55.803 0.184 0.000 0.912 128 Q CB 0.914 29.728 28.738 0.127 0.000 1.223 128 Q HN -0.202 8.150 8.270 0.137 0.000 0.459 129 F N 7.802 127.825 119.950 0.122 0.000 2.379 129 F HA 0.601 5.441 4.527 0.171 -0.211 0.332 129 F C -0.664 175.178 175.800 0.069 0.000 1.096 129 F CA -0.104 57.976 58.000 0.133 0.000 1.105 129 F CB 2.239 41.320 39.000 0.135 0.000 1.189 129 F HN -0.277 8.258 8.300 0.393 0.000 0.515 130 R N 2.666 122.792 120.500 -0.622 0.000 2.707 130 R HA 0.319 4.301 4.340 -0.597 0.000 0.272 130 R C -2.035 173.842 176.300 -0.705 0.000 1.011 130 R CA -2.613 53.125 56.100 -0.604 0.000 0.893 130 R CB 4.714 34.760 30.300 -0.423 0.000 1.233 130 R HN 0.221 7.815 8.270 -1.126 0.000 0.464 131 I N 0.344 120.666 120.570 -0.412 0.000 2.882 131 I HA -0.094 4.002 4.170 -0.123 0.000 0.286 131 I C -0.601 175.461 176.117 -0.091 0.000 1.139 131 I CA 0.089 61.301 61.300 -0.145 0.000 1.379 131 I CB 1.293 39.315 38.000 0.037 0.000 1.410 131 I HN 0.480 8.359 8.210 -0.551 0.000 0.594 132 G N 3.259 112.064 108.800 0.008 0.000 3.107 132 G HA2 0.155 4.140 3.960 0.040 0.000 0.232 132 G HA3 0.155 4.255 3.960 0.091 -0.085 0.232 132 G C -2.173 172.756 174.900 0.049 0.000 1.339 132 G CA -1.670 43.462 45.100 0.053 0.000 1.033 132 G HN -0.383 7.930 8.290 0.039 0.000 0.567 133 D N -0.988 119.448 120.400 0.059 0.000 2.390 133 D HA -0.044 4.625 4.640 0.048 0.000 0.249 133 D C -0.318 176.008 176.300 0.044 0.000 1.144 133 D CA 0.598 54.628 54.000 0.051 0.000 0.880 133 D CB 1.045 41.878 40.800 0.055 0.000 1.182 133 D HN 0.064 8.483 8.370 0.081 0.000 0.451 134 I N 3.811 124.409 120.570 0.047 0.000 2.282 134 I HA 0.048 4.217 4.170 -0.001 0.000 0.290 134 I C -0.652 175.488 176.117 0.038 0.000 1.090 134 I CA -1.898 59.422 61.300 0.033 0.000 1.231 134 I CB -1.552 36.491 38.000 0.071 0.000 1.434 134 I HN 0.065 8.309 8.210 0.057 0.000 0.487 135 A N 7.820 130.644 122.820 0.005 0.000 2.304 135 A HA 0.277 4.615 4.320 0.031 0.000 0.301 135 A C -1.042 176.563 177.584 0.036 0.000 1.132 135 A CA -0.650 51.398 52.037 0.018 0.000 0.819 135 A CB 2.051 21.056 19.000 0.009 0.000 1.094 135 A HN 0.365 8.505 8.150 -0.017 0.000 0.492 136 G N 0.480 109.316 108.800 0.060 0.000 3.071 136 G HA2 -0.126 3.882 3.960 0.080 0.000 0.620 136 G HA3 -0.126 3.970 3.960 0.226 0.000 0.620 136 G C -1.200 173.672 174.900 -0.046 0.000 1.204 136 G CA -0.749 44.413 45.100 0.104 0.000 1.200 136 G HN -0.100 8.210 8.290 0.033 0.000 0.530 137 E N 3.011 123.170 120.200 -0.068 0.000 2.360 137 E HA 0.025 4.249 4.350 -0.210 0.000 0.269 137 E C -0.463 176.037 176.600 -0.167 0.000 1.022 137 E CA 0.305 56.627 56.400 -0.130 0.000 0.887 137 E CB 0.766 30.461 29.700 -0.008 0.000 0.990 137 E HN 0.130 8.488 8.360 -0.003 0.000 0.426 138 H N 0.952 119.874 119.070 -0.247 0.000 2.600 138 H HA 0.413 4.858 4.556 -0.185 0.000 0.357 138 H C -0.943 174.319 175.328 -0.110 0.000 1.106 138 H CA -1.526 54.341 56.048 -0.301 0.000 1.193 138 H CB 1.999 31.368 29.762 -0.655 0.000 1.594 138 H HN -0.149 8.086 8.280 -0.075 0.000 0.526 139 T N 1.488 116.108 114.554 0.110 0.000 3.948 139 T HA 0.195 4.789 4.350 0.164 -0.146 0.303 139 T C -1.768 172.982 174.700 0.083 0.000 0.942 139 T CA 0.167 62.337 62.100 0.116 0.000 1.028 139 T CB -0.082 68.841 68.868 0.092 0.000 1.154 139 T HN 0.381 8.667 8.240 0.076 0.000 0.471 140 S N -0.367 115.386 115.700 0.089 0.000 2.751 140 S HA 0.027 4.539 4.470 0.070 0.000 0.148 140 S C -1.033 173.646 174.600 0.132 0.000 1.057 140 S CA -0.536 57.714 58.200 0.083 0.000 1.103 140 S CB 0.482 63.715 63.200 0.054 0.000 1.709 140 S HN -0.557 7.807 8.310 0.090 0.000 0.484 141 F N 4.550 124.479 119.950 -0.036 0.000 2.234 141 F HA -0.126 4.368 4.527 -0.053 0.000 0.296 141 F C 0.491 176.266 175.800 -0.042 0.000 1.089 141 F CA 0.981 58.948 58.000 -0.054 0.000 1.343 141 F CB 0.463 39.414 39.000 -0.082 0.000 1.040 141 F HN 0.380 8.842 8.300 0.270 0.000 0.498 142 D N -1.385 118.963 120.400 -0.087 0.000 2.390 142 D HA -0.168 4.294 4.640 -0.296 0.000 0.235 142 D C 0.118 176.346 176.300 -0.120 0.000 1.040 142 D CA 1.708 55.612 54.000 -0.160 0.000 0.923 142 D CB -0.960 39.803 40.800 -0.062 0.000 0.886 142 D HN 0.459 8.863 8.370 0.058 0.000 0.532 143 K N -2.877 117.469 120.400 -0.090 0.000 2.380 143 K HA 0.067 4.365 4.320 -0.036 0.000 0.198 143 K C -0.060 176.522 176.600 -0.031 0.000 1.070 143 K CA -0.542 55.721 56.287 -0.039 0.000 1.040 143 K CB 0.650 33.151 32.500 0.002 0.000 0.903 143 K HN -0.245 7.785 8.250 -0.089 0.167 0.549 144 L N 1.956 123.133 121.223 -0.077 0.000 2.421 144 L HA 0.246 4.632 4.340 0.076 0.000 0.263 144 L C -1.686 175.152 176.870 -0.054 0.000 1.122 144 L CA -2.407 52.424 54.840 -0.015 0.000 0.804 144 L CB -0.358 41.693 42.059 -0.013 0.000 1.150 144 L HN -0.460 7.557 8.230 -0.178 0.106 0.457 145 P HA 0.120 4.539 4.420 -0.002 0.000 0.277 145 P C -1.233 176.109 177.300 0.071 0.000 1.240 145 P CA -0.800 62.338 63.100 0.064 0.000 0.798 145 P CB 0.959 32.727 31.700 0.112 0.000 0.979 146 E N 1.721 121.929 120.200 0.014 0.000 2.427 146 E HA 0.093 4.531 4.350 0.006 -0.085 0.259 146 E C -0.888 175.773 176.600 0.101 0.000 1.267 146 E CA -0.973 55.438 56.400 0.019 0.000 1.425 146 E CB -0.375 29.294 29.700 -0.052 0.000 1.482 146 E HN 0.289 8.648 8.360 -0.001 0.000 0.460 147 G N -0.741 108.182 108.800 0.205 0.000 2.759 147 G HA2 0.069 4.105 3.960 0.126 0.000 0.297 147 G HA3 0.069 4.089 3.960 0.099 0.000 0.297 147 G C -1.583 173.417 174.900 0.166 0.000 1.434 147 G CA -0.103 45.089 45.100 0.154 0.000 0.980 147 G HN -0.801 7.635 8.290 0.341 0.059 0.531 148 G N 0.820 109.681 108.800 0.101 0.000 2.610 148 G HA2 -0.197 3.767 3.960 0.006 0.000 0.304 148 G HA3 -0.197 3.726 3.960 -0.063 0.000 0.304 148 G C -2.531 172.408 174.900 0.065 0.000 1.309 148 G CA -0.575 44.539 45.100 0.023 0.000 0.906 148 G HN -0.231 8.114 8.290 0.092 0.000 0.521 149 R N 0.229 120.720 120.500 -0.015 0.000 2.532 149 R HA 0.409 4.962 4.340 0.126 -0.138 0.297 149 R C -1.950 174.296 176.300 -0.090 0.000 0.984 149 R CA -0.871 55.241 56.100 0.020 0.000 0.884 149 R CB 2.539 32.851 30.300 0.020 0.000 1.182 149 R HN 0.131 8.356 8.270 -0.075 0.000 0.442 150 A N 8.493 131.286 122.820 -0.045 0.000 2.256 150 A HA 0.395 4.506 4.320 -0.349 0.000 0.317 150 A C -1.685 175.774 177.584 -0.208 0.000 1.318 150 A CA -1.301 50.604 52.037 -0.220 0.000 0.894 150 A CB 1.459 20.351 19.000 -0.180 0.000 1.165 150 A HN 0.771 9.018 8.150 0.160 0.000 0.525 151 T N 5.696 120.052 114.554 -0.330 0.000 2.897 151 T HA 0.181 4.505 4.350 -0.044 0.000 0.294 151 T C -1.024 173.416 174.700 -0.433 0.000 1.004 151 T CA -0.229 61.739 62.100 -0.222 0.000 1.106 151 T CB 0.880 69.673 68.868 -0.125 0.000 0.949 151 T HN 0.299 8.332 8.240 -0.345 0.000 0.520 152 Y N 4.132 124.511 120.300 0.132 0.000 2.562 152 Y HA 0.379 5.137 4.550 0.102 -0.147 0.345 152 Y C -1.614 174.362 175.900 0.127 0.000 1.045 152 Y CA -1.218 56.969 58.100 0.145 0.000 1.028 152 Y CB 4.205 42.801 38.460 0.227 0.000 1.297 152 Y HN 0.041 8.417 8.280 0.160 0.000 0.463 153 R N 0.608 121.258 120.500 0.250 0.000 2.584 153 R HA 0.537 5.101 4.340 0.165 -0.125 0.276 153 R C -2.092 174.275 176.300 0.112 0.000 1.046 153 R CA -1.152 55.039 56.100 0.152 0.000 0.906 153 R CB 4.850 35.205 30.300 0.091 0.000 1.215 153 R HN 0.161 8.603 8.270 0.286 0.000 0.449 154 G N 2.630 111.480 108.800 0.084 0.000 2.692 154 G HA2 0.568 4.623 3.960 0.049 0.000 0.291 154 G HA3 0.568 4.572 3.960 0.034 -0.024 0.291 154 G C -2.500 172.447 174.900 0.079 0.000 1.423 154 G CA -0.002 45.133 45.100 0.058 0.000 0.843 154 G HN 0.617 8.961 8.290 0.090 0.000 0.486 155 T N 3.336 117.967 114.554 0.128 0.000 2.897 155 T HA 0.034 4.476 4.350 0.155 0.000 0.294 155 T C -1.425 173.446 174.700 0.285 0.000 1.004 155 T CA 1.575 63.809 62.100 0.223 0.000 1.106 155 T CB 0.819 69.898 68.868 0.353 0.000 0.949 155 T HN 0.195 8.496 8.240 0.100 0.000 0.520 156 A N 4.829 127.790 122.820 0.235 0.000 2.303 156 A HA 0.653 5.154 4.320 0.057 -0.148 0.320 156 A C -1.757 175.973 177.584 0.243 0.000 1.192 156 A CA -2.009 50.119 52.037 0.151 0.000 0.821 156 A CB 2.282 21.320 19.000 0.062 0.000 1.188 156 A HN -0.238 8.026 8.150 0.189 0.000 0.492 157 F N 0.202 120.165 119.950 0.023 0.000 2.579 157 F HA 0.543 5.007 4.527 -0.105 0.000 0.325 157 F C -1.973 173.655 175.800 -0.286 0.000 1.162 157 F CA -1.748 56.218 58.000 -0.057 0.000 0.946 157 F CB 1.669 40.721 39.000 0.086 0.000 1.211 157 F HN -0.377 7.703 8.300 -0.367 0.000 0.447 158 G N 0.757 109.204 108.800 -0.587 0.000 2.600 158 G HA2 0.244 3.264 3.960 -1.697 0.000 0.293 158 G HA3 0.244 4.104 3.960 -0.398 -0.139 0.293 158 G C -0.903 173.570 174.900 -0.712 0.000 1.408 158 G CA -0.207 44.356 45.100 -0.896 0.000 0.782 158 G HN -0.382 7.693 8.290 -0.359 0.000 0.482 159 S N -1.304 114.178 115.700 -0.363 0.000 2.547 159 S HA -0.224 4.186 4.470 -0.099 0.000 0.235 159 S C -0.204 174.386 174.600 -0.017 0.000 0.980 159 S CA 2.286 60.439 58.200 -0.078 0.000 0.941 159 S CB 0.274 63.553 63.200 0.131 0.000 0.763 159 S HN 0.181 8.378 8.310 -0.188 0.000 0.532 160 D N -1.951 118.440 120.400 -0.016 0.000 2.497 160 D HA 0.082 4.727 4.640 0.010 0.000 0.256 160 D C -1.032 175.270 176.300 0.003 0.000 1.273 160 D CA 0.682 54.693 54.000 0.018 0.000 0.812 160 D CB 1.281 42.126 40.800 0.076 0.000 1.190 160 D HN 0.025 8.337 8.370 -0.031 0.039 0.524 161 D N -0.562 119.826 120.400 -0.021 0.000 2.389 161 D HA 0.108 4.758 4.640 0.016 0.000 0.206 161 D C 0.504 176.803 176.300 -0.002 0.000 1.055 161 D CA 0.823 54.822 54.000 -0.001 0.000 0.856 161 D CB 0.087 40.894 40.800 0.012 0.000 0.957 161 D HN 0.044 8.277 8.370 -0.062 0.099 0.509 162 A N -0.790 122.013 122.820 -0.028 0.000 2.305 162 A HA 0.194 4.738 4.320 0.068 -0.183 0.236 162 A C 0.004 177.614 177.584 0.044 0.000 1.392 162 A CA 0.327 52.373 52.037 0.016 0.000 1.205 162 A CB -1.703 17.281 19.000 -0.027 0.000 0.881 162 A HN -0.201 7.908 8.150 -0.070 0.000 0.558 163 G N -1.683 107.150 108.800 0.055 0.000 2.989 163 G HA2 0.210 4.219 3.960 0.080 0.000 0.221 163 G HA3 0.210 4.206 3.960 0.060 0.000 0.221 163 G C -0.525 174.464 174.900 0.147 0.000 1.050 163 G CA -0.088 45.061 45.100 0.081 0.000 0.913 163 G HN -0.038 8.148 8.290 0.049 0.134 0.587 164 G N 0.468 109.345 108.800 0.127 0.000 2.552 164 G HA2 0.635 4.932 3.960 0.276 0.000 0.318 164 G HA3 0.635 4.665 3.960 0.117 0.000 0.318 164 G C -2.183 172.783 174.900 0.110 0.000 1.240 164 G CA -0.997 44.197 45.100 0.157 0.000 1.002 164 G HN -0.477 7.867 8.290 0.090 0.000 0.493 165 K N -3.448 117.003 120.400 0.085 0.000 2.562 165 K HA 0.391 4.789 4.320 0.071 -0.036 0.267 165 K C -1.805 174.825 176.600 0.051 0.000 0.938 165 K CA -1.157 55.157 56.287 0.046 0.000 0.840 165 K CB 3.607 36.090 32.500 -0.027 0.000 1.390 165 K HN 0.029 8.350 8.250 0.120 0.000 0.428 166 L N -1.557 119.701 121.223 0.057 0.000 2.332 166 L HA 0.829 5.288 4.340 0.061 -0.082 0.269 166 L C -0.711 176.213 176.870 0.089 0.000 1.016 166 L CA -1.981 52.900 54.840 0.068 0.000 0.809 166 L CB 1.089 43.187 42.059 0.065 0.000 1.280 166 L HN 0.766 9.033 8.230 0.061 0.000 0.447 167 T N 0.760 115.373 114.554 0.099 0.000 2.823 167 T HA 0.370 4.802 4.350 0.137 0.000 0.279 167 T C -1.953 172.851 174.700 0.174 0.000 0.998 167 T CA 0.485 62.657 62.100 0.119 0.000 0.994 167 T CB 1.801 70.711 68.868 0.070 0.000 0.960 167 T HN 0.423 8.713 8.240 0.084 0.000 0.448 168 Y N 6.407 126.764 120.300 0.094 0.000 2.524 168 Y HA 0.303 5.030 4.550 0.084 -0.126 0.347 168 Y C -2.659 173.364 175.900 0.205 0.000 1.005 168 Y CA -1.114 57.062 58.100 0.128 0.000 1.025 168 Y CB 4.768 43.299 38.460 0.118 0.000 1.275 168 Y HN 0.819 9.177 8.280 0.283 0.092 0.460 169 T N 3.155 117.635 114.554 -0.122 0.000 2.843 169 T HA 0.714 5.456 4.350 0.346 -0.184 0.302 169 T C -2.573 172.195 174.700 0.114 0.000 1.232 169 T CA -2.015 60.154 62.100 0.115 0.000 1.009 169 T CB 3.356 72.242 68.868 0.030 0.000 1.254 169 T HN 0.518 8.254 8.240 -0.841 0.000 0.504 170 I N 2.539 123.296 120.570 0.312 0.000 2.571 170 I HA 0.394 4.849 4.170 0.185 -0.174 0.286 170 I C -2.857 173.475 176.117 0.358 0.000 1.134 170 I CA -1.527 59.968 61.300 0.326 0.000 1.052 170 I CB 3.249 41.516 38.000 0.445 0.000 1.237 170 I HN 0.126 8.533 8.210 0.329 0.000 0.435 171 D N 12.066 132.604 120.400 0.231 0.000 2.398 171 D HA 0.136 4.902 4.640 0.210 0.000 0.250 171 D C 1.008 177.482 176.300 0.289 0.000 1.287 171 D CA -0.034 54.095 54.000 0.216 0.000 0.992 171 D CB -1.416 39.457 40.800 0.122 0.000 1.071 171 D HN 0.132 8.596 8.370 0.156 0.000 0.514 172 F N 4.939 124.949 119.950 0.101 0.000 2.202 172 F HA -0.485 4.129 4.527 0.145 0.000 0.301 172 F C 1.014 176.855 175.800 0.067 0.000 1.082 172 F CA 2.713 60.776 58.000 0.105 0.000 1.313 172 F CB -0.156 38.899 39.000 0.091 0.000 1.024 172 F HN -0.285 8.364 8.300 0.582 0.000 0.495 173 A N -4.792 118.164 122.820 0.227 0.000 2.168 173 A HA -0.117 4.435 4.320 0.111 -0.166 0.215 173 A C 0.063 177.698 177.584 0.086 0.000 1.152 173 A CA 1.656 53.769 52.037 0.125 0.000 0.716 173 A CB -0.253 18.805 19.000 0.098 0.000 0.794 173 A HN -0.218 8.059 8.150 0.246 0.020 0.465 174 A N -4.047 118.828 122.820 0.092 0.000 2.551 174 A HA 0.047 4.398 4.320 0.051 0.000 0.252 174 A C -0.170 177.451 177.584 0.062 0.000 1.199 174 A CA -0.551 51.525 52.037 0.066 0.000 0.972 174 A CB 1.400 20.436 19.000 0.060 0.000 1.153 174 A HN -0.433 7.611 8.150 0.124 0.180 0.559 175 K N -3.481 116.963 120.400 0.074 0.000 3.035 175 K HA -0.468 3.892 4.320 0.067 0.000 0.262 175 K C -1.891 174.745 176.600 0.061 0.000 1.024 175 K CA 1.263 57.591 56.287 0.068 0.000 0.748 175 K CB -2.840 29.703 32.500 0.071 0.000 1.247 175 K HN -0.121 8.185 8.250 0.092 0.000 0.482 176 Q N -3.024 116.820 119.800 0.073 0.000 2.325 176 Q HA 0.376 4.880 4.340 0.051 -0.134 0.270 176 Q C -0.136 175.911 176.000 0.079 0.000 1.020 176 Q CA -0.998 54.842 55.803 0.062 0.000 0.785 176 Q CB 3.599 32.365 28.738 0.046 0.000 1.259 176 Q HN -0.956 7.345 8.270 0.090 0.024 0.452 177 G N 2.309 111.160 108.800 0.084 0.000 2.572 177 G HA2 0.325 4.485 3.960 0.068 0.000 0.261 177 G HA3 0.325 4.386 3.960 0.168 0.000 0.261 177 G C -2.005 172.867 174.900 -0.047 0.000 1.197 177 G CA -1.080 44.061 45.100 0.068 0.000 0.870 177 G HN 0.815 9.153 8.290 0.080 0.000 0.548 178 N N -0.751 117.769 118.700 -0.300 0.000 3.227 178 N HA 0.075 4.730 4.740 -0.142 0.000 0.241 178 N C -2.145 172.985 175.510 -0.633 0.000 1.480 178 N CA -0.213 52.660 53.050 -0.295 0.000 0.886 178 N CB 3.273 41.680 38.487 -0.134 0.000 1.406 178 N HN -0.315 7.688 8.380 -0.629 0.000 0.514 179 G N -2.505 106.100 108.800 -0.325 0.000 2.578 179 G HA2 0.563 4.463 3.960 -0.228 0.000 0.302 179 G HA3 0.563 4.422 3.960 -0.168 0.000 0.302 179 G C -3.012 171.847 174.900 -0.069 0.000 1.243 179 G CA 0.457 45.425 45.100 -0.220 0.000 0.843 179 G HN 0.020 8.206 8.290 -0.173 0.000 0.486 180 K N -3.827 116.566 120.400 -0.011 0.000 2.636 180 K HA 0.334 4.786 4.320 -0.003 -0.134 0.268 180 K C -2.375 174.239 176.600 0.024 0.000 0.958 180 K CA -0.347 55.943 56.287 0.004 0.000 0.875 180 K CB 2.993 35.497 32.500 0.006 0.000 1.382 180 K HN -0.122 8.141 8.250 0.022 0.000 0.405 181 I N 2.597 123.180 120.570 0.021 0.000 2.331 181 I HA 0.194 4.387 4.170 0.039 0.000 0.292 181 I C -1.760 174.378 176.117 0.034 0.000 0.998 181 I CA -0.804 60.514 61.300 0.030 0.000 1.267 181 I CB 0.815 38.831 38.000 0.027 0.000 1.386 181 I HN 0.425 8.643 8.210 0.014 0.000 0.476 182 E N 5.831 126.064 120.200 0.055 0.000 2.446 182 E HA 0.301 4.680 4.350 0.049 0.000 0.269 182 E C -1.322 175.364 176.600 0.143 0.000 0.977 182 E CA -1.540 54.904 56.400 0.073 0.000 0.854 182 E CB 4.368 34.112 29.700 0.072 0.000 1.545 182 E HN -0.265 8.134 8.360 0.065 0.000 0.448 183 H N -2.079 116.993 119.070 0.004 0.000 2.826 183 H HA -0.322 4.235 4.556 0.002 0.000 0.306 183 H C -2.164 173.162 175.328 -0.003 0.000 1.235 183 H CA 0.249 56.299 56.048 0.004 0.000 1.150 183 H CB -0.740 29.030 29.762 0.014 0.000 1.409 183 H HN 0.373 8.730 8.280 0.128 0.000 0.420 184 L N -2.992 118.228 121.223 -0.005 0.000 2.416 184 L HA 0.125 4.459 4.340 -0.010 0.000 0.262 184 L C 1.162 177.982 176.870 -0.083 0.000 1.093 184 L CA 0.040 54.859 54.840 -0.035 0.000 0.801 184 L CB 0.933 42.969 42.059 -0.038 0.000 1.191 184 L HN -0.348 7.878 8.230 -0.007 0.000 0.459 185 K N -0.703 119.656 120.400 -0.068 0.000 2.152 185 K HA -0.193 4.078 4.320 -0.082 0.000 0.206 185 K C -0.333 176.229 176.600 -0.064 0.000 1.048 185 K CA 1.941 58.187 56.287 -0.068 0.000 0.933 185 K CB 0.270 32.739 32.500 -0.051 0.000 0.721 185 K HN 0.161 8.380 8.250 -0.053 0.000 0.447 186 S N -1.776 113.888 115.700 -0.061 0.000 2.569 186 S HA 0.248 4.688 4.470 -0.051 0.000 0.280 186 S C -1.513 173.056 174.600 -0.051 0.000 1.111 186 S CA -3.101 55.067 58.200 -0.054 0.000 0.887 186 S CB 1.940 65.110 63.200 -0.050 0.000 1.095 186 S HN -0.707 7.549 8.310 -0.064 0.016 0.476 187 P HA 0.092 4.642 4.420 -0.033 -0.149 0.220 187 P C 1.000 178.279 177.300 -0.034 0.000 1.152 187 P CA 1.483 64.562 63.100 -0.034 0.000 0.812 187 P CB 0.519 32.203 31.700 -0.027 0.000 0.792 188 E N -1.654 118.523 120.200 -0.039 0.000 2.333 188 E HA -0.208 4.123 4.350 -0.031 0.000 0.198 188 E C 1.393 177.957 176.600 -0.059 0.000 1.007 188 E CA 2.157 58.532 56.400 -0.041 0.000 0.845 188 E CB -0.502 29.175 29.700 -0.039 0.000 0.766 188 E HN 0.436 8.773 8.360 -0.039 0.000 0.507 189 L N -4.621 116.557 121.223 -0.076 0.000 2.418 189 L HA -0.052 4.195 4.340 -0.154 0.000 0.218 189 L C -0.031 176.791 176.870 -0.079 0.000 1.125 189 L CA 0.342 55.114 54.840 -0.112 0.000 0.835 189 L CB -0.615 41.370 42.059 -0.124 0.000 0.953 189 L HN -0.833 7.304 8.230 -0.066 0.053 0.454 190 N N 1.102 119.777 118.700 -0.043 0.000 2.416 190 N HA -0.178 4.686 4.740 -0.012 -0.131 0.265 190 N C -0.965 174.537 175.510 -0.013 0.000 1.195 190 N CA 0.742 53.782 53.050 -0.017 0.000 0.943 190 N CB 0.301 38.786 38.487 -0.003 0.000 1.115 190 N HN -0.697 7.510 8.380 -0.041 0.148 0.481 191 V N -2.653 117.258 119.914 -0.004 0.000 2.715 191 V HA 0.254 4.376 4.120 0.005 0.000 0.310 191 V C -1.017 175.085 176.094 0.014 0.000 1.054 191 V CA -2.924 59.381 62.300 0.008 0.000 0.928 191 V CB 2.496 34.334 31.823 0.026 0.000 1.007 191 V HN -0.255 7.934 8.190 -0.000 0.000 0.437 192 D N 2.878 123.288 120.400 0.016 0.000 2.382 192 D HA -0.063 4.581 4.640 0.005 0.000 0.240 192 D C -1.327 174.983 176.300 0.017 0.000 1.146 192 D CA 1.914 55.922 54.000 0.013 0.000 0.897 192 D CB 1.452 42.261 40.800 0.015 0.000 1.197 192 D HN 0.445 8.826 8.370 0.018 0.000 0.432 193 L N 1.145 122.370 121.223 0.004 0.000 2.322 193 L HA 0.219 4.570 4.340 0.018 0.000 0.281 193 L C -1.047 175.854 176.870 0.052 0.000 1.014 193 L CA -1.030 53.814 54.840 0.006 0.000 0.815 193 L CB 2.735 44.757 42.059 -0.061 0.000 1.247 193 L HN -0.078 8.149 8.230 -0.005 0.000 0.421 194 A N 5.473 128.364 122.820 0.118 0.000 2.438 194 A HA 0.086 4.450 4.320 0.073 0.000 0.280 194 A C -0.653 177.017 177.584 0.143 0.000 1.160 194 A CA -0.601 51.507 52.037 0.118 0.000 0.821 194 A CB 0.106 19.177 19.000 0.118 0.000 1.101 194 A HN 0.231 8.469 8.150 0.147 0.000 0.515 195 A N 5.350 128.216 122.820 0.077 0.000 2.565 195 A HA -0.141 4.338 4.320 0.062 -0.122 0.237 195 A C -1.021 176.604 177.584 0.068 0.000 1.053 195 A CA 0.731 52.805 52.037 0.061 0.000 0.755 195 A CB 0.231 19.247 19.000 0.027 0.000 0.980 195 A HN 0.037 8.219 8.150 0.053 0.000 0.506 196 A N 4.482 127.346 122.820 0.073 0.000 2.455 196 A HA 0.346 4.676 4.320 0.017 0.000 0.300 196 A C -2.097 175.501 177.584 0.024 0.000 1.040 196 A CA -0.932 51.127 52.037 0.037 0.000 0.697 196 A CB 3.106 22.113 19.000 0.012 0.000 1.265 196 A HN 0.263 8.346 8.150 0.082 0.117 0.407 197 D N 1.960 122.359 120.400 -0.002 0.000 2.423 197 D HA 0.388 5.196 4.640 0.010 -0.162 0.255 197 D C 0.152 176.425 176.300 -0.045 0.000 1.174 197 D CA -1.677 52.319 54.000 -0.008 0.000 1.008 197 D CB 1.179 41.978 40.800 -0.002 0.000 1.101 197 D HN 0.063 8.427 8.370 -0.011 0.000 0.516 198 I N -1.596 118.942 120.570 -0.055 0.000 2.683 198 I HA -0.006 4.290 4.170 -0.170 -0.228 0.286 198 I C 0.379 176.435 176.117 -0.102 0.000 1.175 198 I CA 0.408 61.636 61.300 -0.120 0.000 1.429 198 I CB -1.313 36.612 38.000 -0.124 0.000 1.371 198 I HN -0.052 8.145 8.210 -0.022 0.000 0.569 199 K N 9.301 129.623 120.400 -0.131 0.000 2.469 199 K HA 0.539 4.809 4.320 -0.083 0.000 0.254 199 K C -2.497 174.029 176.600 -0.123 0.000 0.939 199 K CA -3.360 52.864 56.287 -0.106 0.000 0.812 199 K CB 0.977 33.420 32.500 -0.094 0.000 1.301 199 K HN -0.031 8.117 8.250 -0.169 0.000 0.433 200 P HA 0.154 4.495 4.420 -0.131 0.000 0.271 200 P C -1.414 175.815 177.300 -0.117 0.000 1.216 200 P CA 0.504 63.537 63.100 -0.111 0.000 0.771 200 P CB 0.408 32.058 31.700 -0.083 0.000 0.864 201 D N 1.467 121.777 120.400 -0.149 0.000 1.555 201 D HA 0.018 4.592 4.640 -0.110 0.000 0.725 201 D C 0.007 176.180 176.300 -0.212 0.000 0.683 201 D CA 0.683 54.600 54.000 -0.139 0.000 1.214 201 D CB 1.479 42.216 40.800 -0.106 0.000 1.335 201 D HN 0.330 8.590 8.370 -0.182 0.000 0.468 202 G N 0.347 108.925 108.800 -0.370 0.000 2.364 202 G HA2 0.090 3.589 3.960 -0.769 0.000 0.267 202 G HA3 0.090 3.364 3.960 -1.418 -0.165 0.267 202 G C 0.992 175.470 174.900 -0.702 0.000 1.233 202 G CA -0.295 44.276 45.100 -0.882 0.000 0.885 202 G HN 0.032 8.131 8.290 -0.319 0.000 0.490 203 K N 4.714 124.788 120.400 -0.544 0.000 2.281 203 K HA -0.258 3.955 4.320 -0.178 0.000 0.203 203 K C -0.050 176.441 176.600 -0.182 0.000 1.046 203 K CA 2.159 58.305 56.287 -0.236 0.000 0.938 203 K CB -0.065 32.380 32.500 -0.090 0.000 0.737 203 K HN 0.603 8.570 8.250 -0.471 0.000 0.458 204 R N -5.878 114.480 120.500 -0.237 0.000 2.470 204 R HA 0.192 4.474 4.340 -0.096 0.000 0.312 204 R C -2.306 173.970 176.300 -0.040 0.000 0.760 204 R CA -0.708 55.335 56.100 -0.094 0.000 0.970 204 R CB -0.387 29.909 30.300 -0.006 0.000 1.480 204 R HN -0.302 7.611 8.270 -0.503 0.056 0.586 205 H N -3.104 115.890 119.070 -0.126 0.000 2.960 205 H HA 0.378 4.862 4.556 -0.120 0.000 0.323 205 H C -2.439 172.705 175.328 -0.306 0.000 1.326 205 H CA -0.996 54.918 56.048 -0.223 0.000 1.124 205 H CB 2.590 32.103 29.762 -0.415 0.000 1.853 205 H HN -0.767 7.082 8.280 -0.539 0.108 0.536 206 A N -1.605 121.081 122.820 -0.223 0.000 2.309 206 A HA 0.182 4.291 4.320 -0.352 0.000 0.317 206 A C -1.965 175.407 177.584 -0.354 0.000 1.134 206 A CA -0.961 50.808 52.037 -0.447 0.000 0.866 206 A CB 1.947 20.308 19.000 -1.064 0.000 1.329 206 A HN 0.262 8.276 8.150 -0.228 0.000 0.477 207 V N -2.830 116.875 119.914 -0.349 0.000 3.049 207 V HA 0.458 4.595 4.120 -0.197 -0.135 0.309 207 V C -1.699 174.266 176.094 -0.215 0.000 1.148 207 V CA -0.665 61.500 62.300 -0.226 0.000 0.990 207 V CB 4.181 35.911 31.823 -0.154 0.000 1.039 207 V HN -0.070 7.845 8.190 -0.458 0.000 0.430 208 I N 2.731 123.212 120.570 -0.150 0.000 2.465 208 I HA 0.464 4.560 4.170 -0.124 0.000 0.291 208 I C -1.481 174.500 176.117 -0.227 0.000 1.014 208 I CA -1.871 59.359 61.300 -0.116 0.000 1.093 208 I CB 2.167 40.187 38.000 0.034 0.000 1.267 208 I HN 0.360 8.493 8.210 -0.129 0.000 0.431 209 S N 6.759 122.280 115.700 -0.298 0.000 2.677 209 S HA 0.657 4.887 4.470 -0.676 -0.166 0.283 209 S C -1.366 172.966 174.600 -0.446 0.000 1.159 209 S CA -1.104 56.828 58.200 -0.445 0.000 1.001 209 S CB 1.705 64.753 63.200 -0.254 0.000 1.032 209 S HN 0.110 8.295 8.310 -0.209 0.000 0.487 210 G N 4.051 112.408 108.800 -0.738 0.000 2.870 210 G HA2 0.578 4.458 3.960 -0.133 0.000 0.299 210 G HA3 0.578 4.475 3.960 -0.106 0.000 0.299 210 G C -2.566 172.335 174.900 0.000 0.000 1.324 210 G CA -0.804 44.125 45.100 -0.285 0.000 0.808 210 G HN 0.401 7.891 8.290 -1.333 0.000 0.535 211 S N -0.590 115.245 115.700 0.224 0.000 2.568 211 S HA 0.481 5.152 4.470 0.158 -0.106 0.302 211 S C -1.409 173.327 174.600 0.227 0.000 1.082 211 S CA -0.688 57.626 58.200 0.189 0.000 1.009 211 S CB 2.801 66.056 63.200 0.092 0.000 1.069 211 S HN -0.002 8.454 8.310 0.245 0.000 0.500 212 V N 1.878 121.879 119.914 0.144 0.000 2.482 212 V HA 0.177 4.352 4.120 0.092 0.000 0.295 212 V C -1.995 174.154 176.094 0.092 0.000 1.026 212 V CA -0.561 61.800 62.300 0.102 0.000 0.856 212 V CB 2.238 34.107 31.823 0.076 0.000 1.001 212 V HN 0.229 8.387 8.190 0.107 0.096 0.424 213 L N 7.255 128.542 121.223 0.107 0.000 2.276 213 L HA 0.391 4.798 4.340 0.111 0.000 0.286 213 L C -1.837 175.154 176.870 0.202 0.000 1.061 213 L CA -0.865 54.047 54.840 0.120 0.000 0.807 213 L CB 1.481 43.587 42.059 0.078 0.000 1.177 213 L HN -0.007 8.276 8.230 0.089 0.000 0.429 214 Y N 7.148 127.451 120.300 0.005 0.000 2.356 214 Y HA 0.017 4.566 4.550 -0.002 0.000 0.334 214 Y C -0.402 175.499 175.900 0.001 0.000 0.958 214 Y CA -1.108 56.993 58.100 0.001 0.000 1.196 214 Y CB 1.502 39.963 38.460 0.001 0.000 1.137 214 Y HN -0.224 8.207 8.280 0.253 0.000 0.485 215 N N 6.999 125.588 118.700 -0.185 0.000 2.708 215 N HA -0.471 4.169 4.740 -0.167 0.000 0.249 215 N C -1.170 174.315 175.510 -0.041 0.000 1.097 215 N CA 0.874 53.833 53.050 -0.151 0.000 0.710 215 N CB -1.006 37.366 38.487 -0.192 0.000 1.032 215 N HN 0.697 8.914 8.380 -0.272 0.000 0.551 216 Q N -8.371 111.426 119.800 -0.005 0.000 2.487 216 Q HA -0.286 4.067 4.340 0.022 0.000 0.279 216 Q C -1.615 174.403 176.000 0.029 0.000 1.228 216 Q CA 0.767 56.578 55.803 0.013 0.000 0.873 216 Q CB -1.628 27.110 28.738 -0.000 0.000 1.260 216 Q HN 0.217 8.464 8.270 0.004 0.025 0.471 217 A N -3.904 118.950 122.820 0.057 0.000 2.791 217 A HA 0.200 4.549 4.320 0.048 0.000 0.309 217 A C -1.917 175.725 177.584 0.096 0.000 1.200 217 A CA -0.261 51.815 52.037 0.065 0.000 0.635 217 A CB 1.579 20.614 19.000 0.059 0.000 1.393 217 A HN -0.390 7.808 8.150 0.079 0.000 0.557 218 E N -3.237 117.014 120.200 0.085 0.000 7.835 218 E HA -0.376 4.005 4.350 0.052 0.000 0.160 218 E C -0.727 175.902 176.600 0.048 0.000 1.465 218 E CA 1.482 57.927 56.400 0.075 0.000 2.539 218 E CB 0.105 29.880 29.700 0.125 0.000 1.573 218 E HN 0.044 8.448 8.360 0.073 0.000 0.447 219 K N 0.927 121.335 120.400 0.013 0.000 2.803 219 K HA 0.261 4.593 4.320 0.019 0.000 0.229 219 K C -1.177 175.400 176.600 -0.039 0.000 1.084 219 K CA -0.554 55.733 56.287 -0.000 0.000 1.063 219 K CB 1.422 33.922 32.500 -0.000 0.000 1.254 219 K HN 0.048 8.293 8.250 -0.009 0.000 0.551 220 G N 2.677 111.449 108.800 -0.047 0.000 2.537 220 G HA2 0.640 4.604 3.960 -0.110 0.000 0.297 220 G HA3 0.640 4.533 3.960 -0.112 0.000 0.297 220 G C -1.913 172.986 174.900 -0.002 0.000 1.310 220 G CA -1.301 43.754 45.100 -0.075 0.000 1.027 220 G HN 0.845 9.127 8.290 -0.013 0.000 0.505 221 S N -2.690 113.018 115.700 0.013 0.000 2.533 221 S HA 0.636 5.292 4.470 0.086 -0.135 0.271 221 S C -1.917 172.764 174.600 0.135 0.000 1.143 221 S CA -0.784 57.448 58.200 0.054 0.000 0.891 221 S CB 2.875 66.067 63.200 -0.014 0.000 1.105 221 S HN -0.335 7.967 8.310 -0.014 0.000 0.468 222 Y N -0.509 119.778 120.300 -0.022 0.000 2.553 222 Y HA 0.686 5.316 4.550 -0.035 -0.101 0.347 222 Y C -2.565 173.329 175.900 -0.009 0.000 1.019 222 Y CA -2.178 55.911 58.100 -0.018 0.000 1.032 222 Y CB 3.135 41.594 38.460 -0.001 0.000 1.284 222 Y HN 0.824 9.164 8.280 0.101 0.000 0.466 223 S N 2.031 117.710 115.700 -0.035 0.000 2.571 223 S HA 0.784 5.236 4.470 -0.302 -0.163 0.284 223 S C -1.920 172.692 174.600 0.020 0.000 1.128 223 S CA -1.054 57.076 58.200 -0.118 0.000 0.970 223 S CB 2.755 65.910 63.200 -0.075 0.000 1.039 223 S HN 0.681 9.055 8.310 0.107 0.000 0.485 224 L N -0.259 120.966 121.223 0.002 0.000 2.479 224 L HA 0.728 5.185 4.340 0.083 -0.067 0.255 224 L C -2.165 174.717 176.870 0.019 0.000 1.026 224 L CA -1.442 53.424 54.840 0.043 0.000 0.842 224 L CB 2.861 44.926 42.059 0.009 0.000 1.444 224 L HN 0.547 8.731 8.230 -0.075 0.000 0.409 225 G N -3.146 105.722 108.800 0.114 0.000 2.630 225 G HA2 0.757 4.641 3.960 -0.127 0.000 0.296 225 G HA3 0.757 4.674 3.960 -0.071 0.000 0.296 225 G C -2.025 172.940 174.900 0.108 0.000 1.285 225 G CA -1.872 43.230 45.100 0.005 0.000 0.958 225 G HN 0.406 8.850 8.290 0.256 0.000 0.479 226 I N -0.768 119.755 120.570 -0.079 0.000 2.428 226 I HA 0.352 4.644 4.170 0.203 0.000 0.296 226 I C -0.962 175.146 176.117 -0.015 0.000 0.985 226 I CA 0.047 61.386 61.300 0.065 0.000 1.260 226 I CB 1.395 39.435 38.000 0.067 0.000 1.389 226 I HN 0.114 8.167 8.210 -0.262 0.000 0.484 227 F N 3.382 123.390 119.950 0.095 0.000 2.679 227 F HA 0.408 4.995 4.527 0.101 0.000 0.341 227 F C -0.311 175.513 175.800 0.040 0.000 1.095 227 F CA -1.489 56.556 58.000 0.076 0.000 1.004 227 F CB 3.869 42.885 39.000 0.027 0.000 1.388 227 F HN 0.476 9.033 8.300 0.428 0.000 0.505 228 G N -0.937 107.944 108.800 0.134 0.000 2.741 228 G HA2 -0.356 3.230 3.960 -0.623 0.000 0.222 228 G HA3 -0.356 3.450 3.960 -0.257 0.000 0.222 228 G C 0.495 175.287 174.900 -0.180 0.000 1.364 228 G CA -0.109 44.838 45.100 -0.254 0.000 0.866 228 G HN 0.147 8.585 8.290 0.247 0.000 0.555 229 G N -2.479 106.167 108.800 -0.257 0.000 2.777 229 G HA2 -0.038 3.890 3.960 -0.053 0.000 0.211 229 G HA3 -0.038 3.866 3.960 -0.092 0.000 0.211 229 G C -0.814 174.080 174.900 -0.009 0.000 1.149 229 G CA 0.303 45.349 45.100 -0.092 0.000 0.785 229 G HN 0.271 8.273 8.290 -0.480 0.000 0.536 230 K N -3.518 116.893 120.400 0.018 0.000 3.335 230 K HA 0.059 4.448 4.320 0.115 0.000 0.179 230 K C -1.389 175.300 176.600 0.149 0.000 1.179 230 K CA -1.113 55.227 56.287 0.087 0.000 0.763 230 K CB -0.624 31.911 32.500 0.060 0.000 1.022 230 K HN -0.532 7.650 8.250 -0.024 0.053 0.560 231 A N -1.399 121.551 122.820 0.217 0.000 2.799 231 A HA -0.384 4.220 4.320 0.336 -0.083 0.287 231 A C 0.917 178.706 177.584 0.342 0.000 1.484 231 A CA 1.004 53.246 52.037 0.341 0.000 0.813 231 A CB -1.731 17.584 19.000 0.525 0.000 1.009 231 A HN 0.595 8.857 8.150 0.186 0.000 0.545 232 Q N -3.717 116.234 119.800 0.252 0.000 2.170 232 Q HA -0.254 4.214 4.340 0.214 0.000 0.203 232 Q C -0.342 175.848 176.000 0.316 0.000 0.976 232 Q CA 2.735 58.691 55.803 0.254 0.000 0.858 232 Q CB 0.798 29.690 28.738 0.257 0.000 0.907 232 Q HN -0.093 8.278 8.270 0.187 0.012 0.433 233 E N -5.532 114.857 120.200 0.314 0.000 2.445 233 E HA 0.235 4.768 4.350 0.305 0.000 0.279 233 E C -2.694 173.974 176.600 0.112 0.000 1.018 233 E CA -1.710 54.821 56.400 0.219 0.000 0.816 233 E CB 3.503 33.265 29.700 0.103 0.000 1.356 233 E HN -0.807 7.740 8.360 0.313 0.000 0.462 234 V N -6.043 113.811 119.914 -0.100 0.000 2.789 234 V HA 0.827 5.203 4.120 0.214 -0.127 0.311 234 V C -2.444 173.521 176.094 -0.216 0.000 1.073 234 V CA -2.370 59.858 62.300 -0.120 0.000 0.921 234 V CB 3.541 35.099 31.823 -0.441 0.000 1.009 234 V HN 0.744 8.851 8.190 -0.139 0.000 0.426 235 A N 2.683 125.410 122.820 -0.155 0.000 2.587 235 A HA 0.498 4.673 4.320 -0.243 0.000 0.293 235 A C -2.354 175.225 177.584 -0.008 0.000 1.087 235 A CA -0.723 51.150 52.037 -0.273 0.000 0.692 235 A CB 3.022 21.592 19.000 -0.717 0.000 1.291 235 A HN 0.055 8.339 8.150 0.224 0.000 0.407 236 G N -1.971 106.811 108.800 -0.030 0.000 2.513 236 G HA2 0.164 4.176 3.960 0.087 0.000 0.182 236 G HA3 0.164 4.305 3.960 0.076 -0.136 0.182 236 G C -2.908 172.001 174.900 0.015 0.000 1.190 236 G CA 0.837 45.966 45.100 0.048 0.000 0.987 236 G HN -0.334 7.906 8.290 -0.082 0.000 0.479 237 S N -1.092 114.631 115.700 0.040 0.000 2.556 237 S HA 0.757 5.338 4.470 -0.015 -0.119 0.271 237 S C -2.284 172.354 174.600 0.062 0.000 1.135 237 S CA -1.217 57.003 58.200 0.034 0.000 0.858 237 S CB 3.466 66.705 63.200 0.065 0.000 1.114 237 S HN 0.559 8.908 8.310 0.064 0.000 0.468 238 A N -0.197 122.642 122.820 0.032 0.000 2.435 238 A HA 0.671 5.138 4.320 0.087 -0.094 0.304 238 A C -2.219 175.337 177.584 -0.045 0.000 1.064 238 A CA -1.142 50.918 52.037 0.039 0.000 0.727 238 A CB 3.616 22.636 19.000 0.034 0.000 1.284 238 A HN 0.914 9.065 8.150 0.002 0.000 0.415 239 E N 1.334 121.472 120.200 -0.103 0.000 2.220 239 E HA 0.650 5.012 4.350 -0.283 -0.182 0.256 239 E C -1.432 175.045 176.600 -0.204 0.000 0.881 239 E CA -1.386 54.866 56.400 -0.248 0.000 0.766 239 E CB 2.223 31.672 29.700 -0.418 0.000 1.187 239 E HN 0.575 8.908 8.360 -0.045 0.000 0.419 240 V N 6.055 125.815 119.914 -0.257 0.000 2.364 240 V HA 0.235 4.198 4.120 -0.262 0.000 0.272 240 V C -2.092 173.802 176.094 -0.334 0.000 1.036 240 V CA -1.494 60.593 62.300 -0.356 0.000 0.880 240 V CB 1.792 33.214 31.823 -0.669 0.000 0.991 240 V HN 0.732 8.769 8.190 -0.255 0.000 0.460 241 K N 8.471 128.733 120.400 -0.229 0.000 2.183 241 K HA 0.390 4.746 4.320 -0.142 -0.121 0.274 241 K C -0.753 175.772 176.600 -0.124 0.000 1.009 241 K CA -1.472 54.725 56.287 -0.149 0.000 0.888 241 K CB 1.004 33.447 32.500 -0.096 0.000 1.078 241 K HN -0.119 8.014 8.250 -0.194 0.000 0.459 242 T N -2.390 112.118 114.554 -0.076 0.000 2.778 242 T HA 0.626 5.130 4.350 -0.007 -0.158 0.293 242 T C 1.731 176.438 174.700 0.013 0.000 1.144 242 T CA -2.321 59.768 62.100 -0.018 0.000 1.010 242 T CB 3.555 72.432 68.868 0.015 0.000 1.325 242 T HN 0.326 8.409 8.240 -0.065 0.118 0.515 243 V N -2.833 117.102 119.914 0.035 0.000 2.720 243 V HA -0.253 3.882 4.120 0.025 0.000 0.256 243 V C 0.667 176.784 176.094 0.038 0.000 1.082 243 V CA 2.476 64.796 62.300 0.034 0.000 1.101 243 V CB -0.212 31.633 31.823 0.037 0.000 0.693 243 V HN 0.251 8.759 8.190 0.048 -0.290 0.479 244 N N -1.071 117.660 118.700 0.050 0.000 2.461 244 N HA -0.020 4.749 4.740 0.049 0.000 0.188 244 N C 0.167 175.704 175.510 0.046 0.000 1.134 244 N CA 0.304 53.387 53.050 0.054 0.000 0.878 244 N CB 0.384 38.916 38.487 0.076 0.000 0.972 244 N HN -0.398 7.984 8.380 0.061 0.035 0.456 245 G N -0.022 108.796 108.800 0.030 0.000 2.615 245 G HA2 -0.338 3.632 3.960 0.015 0.000 0.218 245 G HA3 -0.338 3.645 3.960 0.038 0.000 0.218 245 G C -2.755 172.146 174.900 0.002 0.000 1.339 245 G CA -0.550 44.563 45.100 0.023 0.000 0.884 245 G HN -0.170 7.941 8.290 0.023 0.193 0.559 246 I N 1.488 122.064 120.570 0.010 0.000 2.336 246 I HA 0.433 4.729 4.170 -0.094 -0.183 0.292 246 I C -1.079 175.053 176.117 0.026 0.000 0.991 246 I CA -1.363 59.917 61.300 -0.033 0.000 1.227 246 I CB 1.945 39.908 38.000 -0.062 0.000 1.366 246 I HN 0.149 8.382 8.210 0.039 0.000 0.466 247 R N 8.180 128.654 120.500 -0.043 0.000 2.229 247 R HA 0.460 4.896 4.340 0.159 0.000 0.328 247 R C -0.821 175.489 176.300 0.017 0.000 1.009 247 R CA -2.286 53.837 56.100 0.038 0.000 0.864 247 R CB 0.449 30.747 30.300 -0.003 0.000 1.085 247 R HN 0.700 8.878 8.270 -0.154 0.000 0.453 248 H N 5.031 124.180 119.070 0.133 0.000 2.610 248 H HA 0.336 5.082 4.556 0.063 -0.153 0.336 248 H C -0.693 174.715 175.328 0.133 0.000 1.087 248 H CA 0.751 56.889 56.048 0.151 0.000 1.405 248 H CB 1.314 31.209 29.762 0.221 0.000 1.460 248 H HN -0.163 8.422 8.280 0.509 0.000 0.538 249 I N 0.440 121.068 120.570 0.096 0.000 2.509 249 I HA 0.395 4.690 4.170 -0.144 -0.211 0.293 249 I C -0.724 175.252 176.117 -0.235 0.000 1.020 249 I CA -1.503 59.737 61.300 -0.100 0.000 1.088 249 I CB 3.416 41.340 38.000 -0.127 0.000 1.267 249 I HN 0.828 8.976 8.210 0.066 0.102 0.430 250 G N 4.190 112.547 108.800 -0.738 0.000 2.420 250 G HA2 0.552 4.267 3.960 -0.408 0.000 0.284 250 G HA3 0.552 3.398 3.960 -1.857 0.000 0.284 250 G C -1.648 172.766 174.900 -0.810 0.000 1.177 250 G CA -1.328 43.149 45.100 -1.039 0.000 0.841 250 G HN 0.619 8.321 8.290 -0.979 0.000 0.527 251 L N 1.625 122.691 121.223 -0.262 0.000 2.295 251 L HA 0.398 4.683 4.340 -0.092 0.000 0.285 251 L C -0.975 175.886 176.870 -0.015 0.000 1.035 251 L CA -1.019 53.759 54.840 -0.104 0.000 0.806 251 L CB 1.055 43.035 42.059 -0.131 0.000 1.214 251 L HN -0.486 7.644 8.230 -0.166 0.000 0.426 252 A N 3.244 126.036 122.820 -0.047 0.000 2.679 252 A HA 0.340 4.487 4.320 -0.393 -0.063 0.288 252 A C -2.834 174.629 177.584 -0.202 0.000 1.160 252 A CA -0.136 51.704 52.037 -0.329 0.000 0.763 252 A CB 2.269 20.687 19.000 -0.970 0.000 1.270 252 A HN 0.210 8.350 8.150 -0.016 0.000 0.417 253 A N 3.487 126.207 122.820 -0.167 0.000 2.427 253 A HA 0.776 5.242 4.320 0.000 -0.146 0.298 253 A C -2.482 175.117 177.584 0.025 0.000 1.036 253 A CA -0.605 51.406 52.037 -0.042 0.000 0.701 253 A CB 3.660 22.639 19.000 -0.034 0.000 1.250 253 A HN 0.008 8.026 8.150 -0.220 0.000 0.412 254 K N 2.512 122.988 120.400 0.127 0.000 2.221 254 K HA 0.400 4.854 4.320 0.224 0.000 0.243 254 K C -0.281 176.511 176.600 0.320 0.000 0.968 254 K CA -2.283 54.126 56.287 0.203 0.000 0.846 254 K CB 3.554 36.115 32.500 0.102 0.000 1.141 254 K HN -0.109 8.207 8.250 0.110 0.000 0.434 255 Q N 0.000 119.987 119.800 0.312 0.000 2.315 255 Q HA 0.000 4.347 4.340 -0.274 -0.171 0.214 255 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 255 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 255 Q HN 0.000 8.477 8.270 0.344 0.000 0.481