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 3lgi_1_C DATA FIRST_RESID 38 DATA SEQUENCE DSTDETPASY NLAVRRAAPA VVNVYNRGLN XXXXNQLEIR TLGSGVIMDQ DATA SEQUENCE RGYIITNKHV INDADQIIVA LQDGRVFEAL LVGSDSLTDL AVLKINATGG DATA SEQUENCE LPTIPINARR VPHIGDVVLA IGNPYNLGQT ITQGIISATG RIGLNPTGRQ DATA SEQUENCE NFLQTDASIN HGNSGGALVN SLGELMGINT LSFDKSNDGE TPEGIGFAIP DATA SEQUENCE FQLATKIMDK LIRDGRVIR 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 38 D HA 0.000 4.642 4.640 0.003 0.000 0.175 38 D C 0.000 176.301 176.300 0.001 0.000 2.045 38 D CA 0.000 54.002 54.000 0.003 0.000 0.868 38 D CB 0.000 40.802 40.800 0.004 0.000 0.688 39 S N 1.685 117.385 115.700 0.001 0.000 3.706 39 S HA -0.245 4.224 4.470 -0.001 0.000 0.363 39 S C -0.692 173.907 174.600 -0.001 0.000 0.999 39 S CA 0.271 58.471 58.200 -0.001 0.000 1.143 39 S CB -0.349 62.850 63.200 -0.000 0.000 0.902 39 S HN 0.077 8.387 8.310 0.001 0.000 0.476 40 T N 1.267 115.821 114.554 -0.001 0.000 2.888 40 T HA -0.127 4.223 4.350 -0.001 0.000 0.301 40 T C -0.499 174.198 174.700 -0.005 0.000 1.001 40 T CA 0.737 62.836 62.100 -0.002 0.000 1.147 40 T CB 0.681 69.548 68.868 -0.001 0.000 0.931 40 T HN -0.414 7.825 8.240 -0.001 0.000 0.541 41 D N 5.079 125.475 120.400 -0.006 0.000 2.325 41 D HA -0.086 4.549 4.640 -0.009 0.000 0.251 41 D C 0.123 176.415 176.300 -0.014 0.000 1.196 41 D CA 0.170 54.164 54.000 -0.009 0.000 0.866 41 D CB 0.440 41.235 40.800 -0.008 0.000 1.101 41 D HN 0.106 8.473 8.370 -0.005 0.000 0.476 42 E N 4.970 125.160 120.200 -0.016 0.000 2.444 42 E HA 0.135 4.469 4.350 -0.026 0.000 0.191 42 E C 0.279 176.861 176.600 -0.030 0.000 1.041 42 E CA -0.650 55.736 56.400 -0.024 0.000 0.883 42 E CB -0.521 29.167 29.700 -0.021 0.000 1.024 42 E HN 0.418 8.770 8.360 -0.015 0.000 0.470 43 T N 2.372 116.910 114.554 -0.026 0.000 2.732 43 T HA -0.032 4.301 4.350 -0.027 0.000 0.261 43 T C -1.335 173.343 174.700 -0.036 0.000 1.040 43 T CA 1.757 63.841 62.100 -0.027 0.000 1.145 43 T CB -0.408 68.448 68.868 -0.020 0.000 0.866 43 T HN -0.709 7.676 8.240 -0.022 -0.158 0.427 44 P HA 0.012 4.409 4.420 -0.040 0.000 0.272 44 P C -1.588 175.668 177.300 -0.074 0.000 1.223 44 P CA -0.635 62.438 63.100 -0.045 0.000 0.784 44 P CB 0.189 31.868 31.700 -0.036 0.000 0.923 45 A N 1.057 123.826 122.820 -0.086 0.000 2.546 45 A HA -0.105 4.120 4.320 -0.159 0.000 0.243 45 A C -0.417 177.049 177.584 -0.197 0.000 1.063 45 A CA 0.780 52.730 52.037 -0.145 0.000 0.757 45 A CB -0.152 18.774 19.000 -0.123 0.000 0.991 45 A HN -0.125 7.984 8.150 -0.068 0.000 0.503 46 S N 2.190 117.693 115.700 -0.329 0.000 2.552 46 S HA 0.070 4.389 4.470 -0.251 0.000 0.272 46 S C -1.107 173.194 174.600 -0.498 0.000 1.150 46 S CA -0.153 57.863 58.200 -0.308 0.000 0.849 46 S CB 0.802 63.924 63.200 -0.131 0.000 1.113 46 S HN -0.174 7.903 8.310 -0.390 0.000 0.458 47 Y N 2.039 122.339 120.300 0.000 0.000 2.681 47 Y HA 0.176 4.725 4.550 -0.002 0.000 0.267 47 Y C 0.083 175.982 175.900 -0.002 0.000 1.166 47 Y CA -0.692 57.408 58.100 -0.001 0.000 1.209 47 Y CB -0.069 38.391 38.460 -0.001 0.000 1.161 47 Y HN 0.214 8.494 8.280 0.000 0.000 0.534 48 N N 1.700 120.439 118.700 0.064 0.000 2.289 48 N HA -0.338 4.438 4.740 0.060 0.000 0.184 48 N C 1.038 176.574 175.510 0.043 0.000 1.016 48 N CA 3.362 56.441 53.050 0.047 0.000 0.872 48 N CB 0.259 38.757 38.487 0.017 0.000 0.973 48 N HN -0.411 7.911 8.380 0.011 0.064 0.433 49 L N -0.679 120.567 121.223 0.038 0.000 2.012 49 L HA -0.279 4.074 4.340 0.021 0.000 0.210 49 L C 0.719 177.615 176.870 0.043 0.000 1.073 49 L CA 3.090 57.950 54.840 0.033 0.000 0.748 49 L CB -0.390 41.685 42.059 0.027 0.000 0.891 49 L HN -0.019 8.215 8.230 0.029 0.014 0.431 50 A N -2.267 120.597 122.820 0.074 0.000 1.933 50 A HA -0.379 3.963 4.320 0.036 0.000 0.218 50 A C 2.173 179.779 177.584 0.037 0.000 1.175 50 A CA 2.912 54.982 52.037 0.055 0.000 0.628 50 A CB -0.838 18.205 19.000 0.072 0.000 0.814 50 A HN -0.678 7.536 8.150 0.108 0.000 0.444 51 V N -1.241 118.703 119.914 0.050 0.000 2.295 51 V HA -0.596 3.540 4.120 0.027 0.000 0.246 51 V C 2.041 178.149 176.094 0.023 0.000 1.049 51 V CA 4.263 66.584 62.300 0.034 0.000 1.024 51 V CB -0.189 31.660 31.823 0.043 0.000 0.648 51 V HN -0.517 7.635 8.190 0.069 0.080 0.447 52 R N -1.052 119.461 120.500 0.023 0.000 2.148 52 R HA -0.237 4.112 4.340 0.015 0.000 0.227 52 R C 1.777 178.084 176.300 0.011 0.000 1.103 52 R CA 2.883 58.993 56.100 0.016 0.000 0.983 52 R CB -0.594 29.714 30.300 0.014 0.000 0.874 52 R HN 0.082 8.368 8.270 0.027 0.000 0.451 53 R N -2.648 117.857 120.500 0.009 0.000 2.127 53 R HA -0.097 4.244 4.340 0.002 0.000 0.217 53 R C 0.867 177.166 176.300 -0.002 0.000 1.074 53 R CA 2.425 58.526 56.100 0.002 0.000 0.991 53 R CB 0.350 30.650 30.300 -0.001 0.000 0.895 53 R HN -0.615 7.644 8.270 0.013 0.020 0.450 54 A N -2.924 119.895 122.820 -0.002 0.000 2.013 54 A HA 0.184 4.497 4.320 -0.012 0.000 0.204 54 A C 1.463 179.045 177.584 -0.002 0.000 1.262 54 A CA 1.304 53.337 52.037 -0.008 0.000 0.800 54 A CB 0.525 19.516 19.000 -0.015 0.000 0.909 54 A HN -0.499 7.652 8.150 0.003 0.000 0.472 55 A N -0.478 122.344 122.820 0.003 0.000 1.972 55 A HA -0.035 4.286 4.320 0.002 0.000 0.219 55 A C -1.147 176.442 177.584 0.009 0.000 1.169 55 A CA 4.172 56.212 52.037 0.006 0.000 0.635 55 A CB -2.232 16.774 19.000 0.010 0.000 0.810 55 A HN 0.157 8.310 8.150 0.006 0.000 0.446 56 P HA -0.192 4.239 4.420 0.018 0.000 0.225 56 P C -0.624 176.684 177.300 0.015 0.000 1.148 56 P CA 1.496 64.605 63.100 0.015 0.000 0.779 56 P CB -0.281 31.427 31.700 0.014 0.000 0.780 57 A N -5.121 117.703 122.820 0.008 0.000 2.308 57 A HA 0.234 4.560 4.320 0.009 0.000 0.217 57 A C -1.701 175.887 177.584 0.006 0.000 1.216 57 A CA -0.811 51.230 52.037 0.007 0.000 0.864 57 A CB 0.943 19.944 19.000 0.001 0.000 0.902 57 A HN -0.568 7.541 8.150 0.005 0.044 0.499 58 V N 0.073 119.990 119.914 0.004 0.000 2.398 58 V HA 0.618 4.905 4.120 -0.004 -0.170 0.286 58 V C -0.535 175.559 176.094 0.001 0.000 1.026 58 V CA -0.540 61.759 62.300 -0.002 0.000 0.868 58 V CB 1.396 33.213 31.823 -0.009 0.000 0.982 58 V HN -0.743 7.293 8.190 0.006 0.157 0.443 59 V N 0.507 120.418 119.914 -0.004 0.000 2.994 59 V HA 0.578 4.786 4.120 0.020 -0.076 0.318 59 V C -1.467 174.606 176.094 -0.036 0.000 1.085 59 V CA -3.511 58.791 62.300 0.005 0.000 0.998 59 V CB 2.923 34.762 31.823 0.026 0.000 1.063 59 V HN 0.488 8.672 8.190 -0.010 0.000 0.447 60 N N 1.491 120.171 118.700 -0.034 0.000 2.455 60 N HA 0.258 4.874 4.740 -0.205 0.000 0.280 60 N C -0.893 174.486 175.510 -0.219 0.000 1.055 60 N CA -1.051 51.904 53.050 -0.159 0.000 0.961 60 N CB 1.194 39.621 38.487 -0.099 0.000 1.121 60 N HN -0.120 8.270 8.380 0.016 0.000 0.476 61 V N 3.052 122.743 119.914 -0.371 0.000 2.495 61 V HA 0.506 4.733 4.120 -0.101 -0.168 0.298 61 V C -1.491 174.338 176.094 -0.442 0.000 1.031 61 V CA -1.007 61.141 62.300 -0.254 0.000 0.871 61 V CB 2.259 33.993 31.823 -0.147 0.000 0.988 61 V HN 0.415 8.251 8.190 -0.411 0.108 0.432 62 Y N 5.138 125.437 120.300 -0.001 0.000 2.350 62 Y HA 0.245 4.795 4.550 0.001 0.000 0.338 62 Y C -1.471 174.435 175.900 0.010 0.000 0.961 62 Y CA -1.490 56.612 58.100 0.004 0.000 1.100 62 Y CB 2.849 41.314 38.460 0.009 0.000 1.179 62 Y HN 0.809 9.188 8.280 0.164 0.000 0.454 63 N N 4.295 123.080 118.700 0.141 0.000 2.462 63 N HA 0.264 5.056 4.740 0.085 0.000 0.242 63 N C -1.442 174.133 175.510 0.108 0.000 1.010 63 N CA -0.937 52.172 53.050 0.097 0.000 0.939 63 N CB 1.089 39.615 38.487 0.066 0.000 1.127 63 N HN 0.137 8.593 8.380 0.126 0.000 0.509 64 R N 5.277 125.830 120.500 0.089 0.000 2.514 64 R HA 0.846 5.408 4.340 0.073 -0.179 0.301 64 R C -0.882 175.448 176.300 0.049 0.000 0.962 64 R CA -1.640 54.501 56.100 0.068 0.000 0.882 64 R CB 3.610 33.941 30.300 0.052 0.000 1.143 64 R HN 0.482 8.802 8.270 0.083 0.000 0.452 65 G N 0.345 109.170 108.800 0.042 0.000 2.519 65 G HA2 0.730 4.830 3.960 0.032 0.000 0.307 65 G HA3 0.730 4.711 3.960 0.034 0.000 0.307 65 G C -2.944 171.972 174.900 0.025 0.000 1.266 65 G CA -1.621 43.499 45.100 0.033 0.000 0.970 65 G HN 0.445 8.761 8.290 0.044 0.000 0.481 66 L N 0.171 121.407 121.223 0.021 0.000 2.461 66 L HA 0.009 4.468 4.340 0.014 -0.111 0.272 66 L C -1.157 175.723 176.870 0.015 0.000 1.197 66 L CA 0.804 55.654 54.840 0.016 0.000 0.836 66 L CB 1.392 43.459 42.059 0.013 0.000 1.105 66 L HN -0.168 8.380 8.230 0.021 -0.305 0.477 73 Q N 0.791 120.593 119.800 0.004 0.000 2.364 73 Q HA 0.300 4.642 4.340 0.003 0.000 0.204 73 Q C -1.200 174.803 176.000 0.005 0.000 1.002 73 Q CA -1.056 54.749 55.803 0.003 0.000 1.012 73 Q CB 1.443 30.180 28.738 -0.002 0.000 1.188 73 Q HN -0.232 8.039 8.270 0.003 0.000 0.522 74 L N -0.803 120.422 121.223 0.003 0.000 2.500 74 L HA -0.065 4.489 4.340 0.012 -0.206 0.272 74 L C 0.023 176.896 176.870 0.006 0.000 1.149 74 L CA 0.380 55.224 54.840 0.007 0.000 0.897 74 L CB -0.779 41.282 42.059 0.003 0.000 1.178 74 L HN 0.090 8.320 8.230 0.000 0.000 0.473 75 E N 5.083 125.293 120.200 0.016 0.000 2.263 75 E HA 0.348 4.705 4.350 0.013 0.000 0.264 75 E C -2.005 174.620 176.600 0.041 0.000 0.923 75 E CA -2.384 54.029 56.400 0.022 0.000 0.802 75 E CB 3.634 33.349 29.700 0.024 0.000 1.228 75 E HN 0.244 8.617 8.360 0.021 0.000 0.417 76 I N 2.040 122.644 120.570 0.055 0.000 2.505 76 I HA -0.166 4.200 4.170 0.108 -0.132 0.287 76 I C 0.690 176.867 176.117 0.099 0.000 1.104 76 I CA 1.423 62.783 61.300 0.100 0.000 1.387 76 I CB -0.157 37.929 38.000 0.143 0.000 1.404 76 I HN 0.284 8.522 8.210 0.047 0.000 0.528 77 R N 8.069 128.627 120.500 0.098 0.000 2.090 77 R HA 0.061 4.447 4.340 0.077 0.000 0.219 77 R C 0.131 176.500 176.300 0.115 0.000 1.100 77 R CA 1.447 57.600 56.100 0.088 0.000 0.991 77 R CB 1.284 31.627 30.300 0.072 0.000 0.893 77 R HN 0.694 9.023 8.270 0.099 0.000 0.443 78 T N -4.022 110.612 114.554 0.133 0.000 2.718 78 T HA 0.143 4.630 4.350 0.228 0.000 0.306 78 T C -2.874 171.889 174.700 0.105 0.000 1.485 78 T CA -1.223 60.979 62.100 0.169 0.000 0.997 78 T CB 1.084 70.061 68.868 0.181 0.000 1.504 78 T HN -0.668 7.646 8.240 0.124 0.000 0.497 79 L N -2.943 118.290 121.223 0.016 0.000 2.491 79 L HA 0.948 5.291 4.340 -0.146 -0.090 0.254 79 L C -1.675 175.023 176.870 -0.286 0.000 1.048 79 L CA -1.547 53.196 54.840 -0.163 0.000 0.855 79 L CB 3.314 45.250 42.059 -0.205 0.000 1.466 79 L HN 0.083 8.328 8.230 0.026 0.000 0.409 80 G N -2.038 106.566 108.800 -0.327 0.000 2.578 80 G HA2 0.424 4.250 3.960 -0.300 0.000 0.302 80 G HA3 0.424 4.328 3.960 -0.236 -0.085 0.302 80 G C -2.135 172.604 174.900 -0.269 0.000 1.243 80 G CA 0.841 45.773 45.100 -0.281 0.000 0.843 80 G HN 0.179 8.236 8.290 -0.387 0.000 0.486 81 S N -0.800 114.786 115.700 -0.189 0.000 2.740 81 S HA 1.040 5.551 4.470 -0.161 -0.137 0.300 81 S C -1.333 173.208 174.600 -0.100 0.000 1.147 81 S CA -1.891 56.224 58.200 -0.142 0.000 0.871 81 S CB 3.964 67.099 63.200 -0.108 0.000 1.173 81 S HN 0.501 8.710 8.310 -0.168 0.000 0.510 82 G N -2.325 106.436 108.800 -0.064 0.000 2.677 82 G HA2 0.754 4.965 3.960 -0.035 0.000 0.291 82 G HA3 0.754 4.696 3.960 -0.031 0.000 0.291 82 G C -3.208 171.683 174.900 -0.016 0.000 1.435 82 G CA -0.022 45.056 45.100 -0.036 0.000 0.826 82 G HN -0.207 8.048 8.290 -0.059 0.000 0.491 83 V N 0.581 120.495 119.914 -0.001 0.000 2.483 83 V HA 0.446 4.710 4.120 0.003 -0.142 0.297 83 V C -0.941 175.164 176.094 0.018 0.000 1.027 83 V CA -1.519 60.785 62.300 0.007 0.000 0.855 83 V CB 3.457 35.287 31.823 0.011 0.000 0.995 83 V HN 0.268 8.459 8.190 0.003 0.000 0.424 84 I N 8.035 128.614 120.570 0.015 0.000 2.436 84 I HA -0.046 4.431 4.170 0.028 -0.290 0.289 84 I C 0.073 176.207 176.117 0.028 0.000 1.083 84 I CA 1.051 62.363 61.300 0.020 0.000 1.372 84 I CB -0.139 37.864 38.000 0.006 0.000 1.408 84 I HN 0.757 8.973 8.210 0.010 0.000 0.516 85 M N 4.469 124.099 119.600 0.051 0.000 2.465 85 M HA 0.063 4.563 4.480 0.034 0.000 0.249 85 M C -0.946 175.389 176.300 0.058 0.000 1.130 85 M CA -0.811 54.519 55.300 0.050 0.000 1.067 85 M CB -0.308 32.326 32.600 0.057 0.000 1.394 85 M HN -0.048 8.283 8.290 0.069 0.000 0.483 86 D N -3.220 117.225 120.400 0.075 0.000 2.837 86 D HA 0.289 4.963 4.640 0.057 0.000 0.220 86 D C -0.754 175.568 176.300 0.036 0.000 1.236 86 D CA -0.387 53.661 54.000 0.080 0.000 0.838 86 D CB 3.092 43.993 40.800 0.168 0.000 1.647 86 D HN -0.963 7.452 8.370 0.074 0.000 0.486 87 Q N 3.213 123.022 119.800 0.016 0.000 2.297 87 Q HA -0.433 4.077 4.340 -0.023 -0.184 0.208 87 Q C 1.573 177.541 176.000 -0.054 0.000 0.981 87 Q CA 3.084 58.877 55.803 -0.017 0.000 0.876 87 Q CB -0.007 28.724 28.738 -0.010 0.000 0.921 87 Q HN 0.699 8.983 8.270 0.023 0.000 0.446 88 R N 0.090 120.562 120.500 -0.046 0.000 2.120 88 R HA -0.196 4.074 4.340 -0.117 0.000 0.234 88 R C 0.733 176.863 176.300 -0.284 0.000 1.123 88 R CA 1.540 57.560 56.100 -0.133 0.000 0.975 88 R CB -0.361 29.897 30.300 -0.069 0.000 0.866 88 R HN 0.132 8.361 8.270 0.007 0.045 0.446 89 G N -3.462 105.182 108.800 -0.260 0.000 2.147 89 G HA2 -0.215 3.629 3.960 -0.194 0.000 0.128 89 G HA3 -0.215 3.542 3.960 -0.339 0.000 0.128 89 G C -1.613 173.096 174.900 -0.318 0.000 1.026 89 G CA -0.433 44.494 45.100 -0.288 0.000 0.693 89 G HN -0.014 8.171 8.290 -0.153 0.013 0.499 90 Y N 0.330 120.606 120.300 -0.040 0.000 2.316 90 Y HA 0.391 5.107 4.550 -0.030 -0.184 0.331 90 Y C -0.967 174.919 175.900 -0.023 0.000 1.083 90 Y CA 0.220 58.303 58.100 -0.028 0.000 1.206 90 Y CB 0.401 38.849 38.460 -0.021 0.000 1.195 90 Y HN -0.880 7.266 8.280 -0.069 0.093 0.497 91 I N 2.320 122.971 120.570 0.135 0.000 2.498 91 I HA 0.490 4.895 4.170 0.058 -0.200 0.290 91 I C -1.540 174.612 176.117 0.059 0.000 1.032 91 I CA -1.508 59.832 61.300 0.066 0.000 1.073 91 I CB 4.219 42.237 38.000 0.030 0.000 1.251 91 I HN 0.478 8.780 8.210 0.154 0.000 0.426 92 I N 7.527 128.121 120.570 0.039 0.000 2.428 92 I HA 0.811 5.170 4.170 0.025 -0.174 0.296 92 I C -1.883 174.236 176.117 0.004 0.000 0.985 92 I CA -2.209 59.106 61.300 0.024 0.000 1.260 92 I CB 3.175 41.191 38.000 0.026 0.000 1.389 92 I HN 0.256 8.488 8.210 0.037 0.000 0.484 93 T N 6.937 121.485 114.554 -0.011 0.000 2.681 93 T HA 0.405 4.731 4.350 -0.040 0.000 0.296 93 T C -1.952 172.716 174.700 -0.055 0.000 1.157 93 T CA -2.890 59.184 62.100 -0.042 0.000 1.025 93 T CB 1.469 70.299 68.868 -0.063 0.000 1.441 93 T HN 0.236 8.472 8.240 -0.007 0.000 0.504 94 N N 0.114 118.741 118.700 -0.122 0.000 2.509 94 N HA 0.280 5.161 4.740 -0.051 -0.172 0.287 94 N C 0.653 176.065 175.510 -0.163 0.000 1.121 94 N CA -0.008 52.953 53.050 -0.147 0.000 0.977 94 N CB 1.257 39.553 38.487 -0.317 0.000 1.167 94 N HN 0.379 8.660 8.380 -0.164 0.000 0.476 95 K N 4.184 124.553 120.400 -0.052 0.000 2.103 95 K HA -0.428 3.880 4.320 -0.020 0.000 0.207 95 K C 1.257 177.852 176.600 -0.009 0.000 1.048 95 K CA 3.296 59.575 56.287 -0.012 0.000 0.930 95 K CB 0.150 32.673 32.500 0.038 0.000 0.716 95 K HN 0.157 8.354 8.250 -0.001 0.053 0.444 96 H N -4.319 114.769 119.070 0.029 0.000 2.489 96 H HA -0.158 4.415 4.556 0.028 0.000 0.293 96 H C 1.113 176.458 175.328 0.029 0.000 1.066 96 H CA 2.357 58.422 56.048 0.030 0.000 1.305 96 H CB -0.325 29.457 29.762 0.033 0.000 1.386 96 H HN -0.523 7.994 8.280 0.051 -0.206 0.551 97 V N -1.633 118.077 119.914 -0.340 0.000 2.453 97 V HA -0.251 3.806 4.120 -0.106 0.000 0.247 97 V C 0.739 176.798 176.094 -0.059 0.000 1.048 97 V CA 2.279 64.463 62.300 -0.193 0.000 1.049 97 V CB 0.609 32.272 31.823 -0.266 0.000 0.672 97 V HN -0.601 7.146 8.190 -0.516 0.134 0.457 98 I N -10.393 110.148 120.570 -0.048 0.000 4.018 98 I HA 0.118 4.289 4.170 0.002 0.000 0.337 98 I C -0.743 175.385 176.117 0.018 0.000 1.327 98 I CA -2.047 59.249 61.300 -0.007 0.000 1.100 98 I CB 0.193 38.187 38.000 -0.010 0.000 1.025 98 I HN -0.832 7.339 8.210 -0.066 0.000 0.396 99 N N 2.426 121.144 118.700 0.029 0.000 2.454 99 N HA -0.223 4.537 4.740 0.033 0.000 0.260 99 N C -0.718 174.816 175.510 0.040 0.000 1.218 99 N CA 1.876 54.950 53.050 0.040 0.000 0.904 99 N CB 0.760 39.281 38.487 0.056 0.000 1.065 99 N HN -0.607 7.791 8.380 0.031 0.000 0.462 100 D N -3.687 116.734 120.400 0.034 0.000 3.079 100 D HA -0.374 4.283 4.640 0.029 0.000 0.214 100 D C -1.265 175.055 176.300 0.034 0.000 1.145 100 D CA 1.287 55.307 54.000 0.032 0.000 0.958 100 D CB -1.474 39.347 40.800 0.034 0.000 1.117 100 D HN 0.346 8.735 8.370 0.031 0.000 0.416 101 A N -2.334 120.507 122.820 0.035 0.000 2.488 101 A HA -0.175 4.314 4.320 0.042 -0.143 0.249 101 A C -0.117 177.488 177.584 0.034 0.000 1.083 101 A CA 0.321 52.381 52.037 0.038 0.000 0.768 101 A CB 0.367 19.391 19.000 0.040 0.000 1.017 101 A HN -0.706 7.416 8.150 0.034 0.048 0.496 102 D N 2.732 123.152 120.400 0.034 0.000 2.213 102 D HA -0.059 4.597 4.640 0.026 0.000 0.205 102 D C 0.293 176.611 176.300 0.031 0.000 0.961 102 D CA 2.196 56.213 54.000 0.029 0.000 0.853 102 D CB 1.040 41.856 40.800 0.026 0.000 0.967 102 D HN -0.029 8.363 8.370 0.036 0.000 0.496 103 Q N -2.024 117.798 119.800 0.037 0.000 2.309 103 Q HA 0.269 4.632 4.340 0.038 0.000 0.273 103 Q C -2.500 173.533 176.000 0.055 0.000 1.040 103 Q CA -0.416 55.411 55.803 0.041 0.000 0.834 103 Q CB 3.842 32.601 28.738 0.035 0.000 1.345 103 Q HN -0.533 7.761 8.270 0.041 0.000 0.414 104 I N 5.906 126.511 120.570 0.058 0.000 2.354 104 I HA 0.673 5.078 4.170 0.083 -0.185 0.292 104 I C -1.318 174.854 176.117 0.092 0.000 0.989 104 I CA -1.161 60.182 61.300 0.073 0.000 1.188 104 I CB 1.922 39.954 38.000 0.055 0.000 1.342 104 I HN 0.563 8.805 8.210 0.053 0.000 0.457 105 I N 7.160 127.811 120.570 0.135 0.000 2.474 105 I HA 0.524 4.904 4.170 0.127 -0.133 0.294 105 I C -1.432 174.810 176.117 0.209 0.000 1.005 105 I CA -2.799 58.596 61.300 0.158 0.000 1.113 105 I CB 2.284 40.368 38.000 0.141 0.000 1.289 105 I HN 0.400 8.708 8.210 0.164 0.000 0.436 106 V N 6.373 126.398 119.914 0.185 0.000 2.448 106 V HA 0.621 5.028 4.120 0.155 -0.194 0.295 106 V C -2.166 174.046 176.094 0.196 0.000 1.025 106 V CA -2.091 60.314 62.300 0.175 0.000 0.859 106 V CB 3.457 35.364 31.823 0.141 0.000 0.988 106 V HN 0.749 9.046 8.190 0.179 0.000 0.431 107 A N 7.226 130.162 122.820 0.193 0.000 2.287 107 A HA 0.810 5.344 4.320 0.120 -0.142 0.317 107 A C -1.313 176.344 177.584 0.122 0.000 1.220 107 A CA -2.255 49.876 52.037 0.156 0.000 0.835 107 A CB 2.387 21.512 19.000 0.208 0.000 1.180 107 A HN 0.682 8.945 8.150 0.189 0.000 0.500 108 L N 2.606 123.900 121.223 0.118 0.000 2.421 108 L HA 0.152 4.546 4.340 0.090 0.000 0.263 108 L C 1.528 178.438 176.870 0.068 0.000 1.122 108 L CA -0.922 53.979 54.840 0.102 0.000 0.804 108 L CB 0.692 42.835 42.059 0.141 0.000 1.150 108 L HN 0.144 8.446 8.230 0.120 0.000 0.457 109 Q N 1.433 121.265 119.800 0.053 0.000 2.436 109 Q HA -0.248 4.116 4.340 0.040 0.000 0.209 109 Q C 0.433 176.454 176.000 0.035 0.000 0.965 109 Q CA 2.471 58.297 55.803 0.040 0.000 0.910 109 Q CB -0.571 28.185 28.738 0.031 0.000 0.980 109 Q HN 0.829 9.129 8.270 0.051 0.000 0.491 110 D N -5.007 115.418 120.400 0.041 0.000 2.340 110 D HA -0.058 4.598 4.640 0.027 0.000 0.220 110 D C 0.748 177.061 176.300 0.022 0.000 1.039 110 D CA -0.620 53.400 54.000 0.033 0.000 0.866 110 D CB -0.978 39.847 40.800 0.041 0.000 0.913 110 D HN -0.585 7.774 8.370 0.052 0.042 0.523 111 G N -0.709 108.102 108.800 0.017 0.000 2.213 111 G HA2 -0.439 3.519 3.960 -0.003 0.000 0.226 111 G HA3 -0.439 3.515 3.960 -0.011 0.000 0.226 111 G C -0.082 174.791 174.900 -0.045 0.000 0.992 111 G CA -0.326 44.769 45.100 -0.007 0.000 0.632 111 G HN -0.477 7.772 8.290 0.028 0.057 0.511 112 R N 1.190 121.663 120.500 -0.045 0.000 2.594 112 R HA 0.011 4.209 4.340 -0.237 0.000 0.272 112 R C -1.088 175.069 176.300 -0.239 0.000 1.074 112 R CA 0.677 56.669 56.100 -0.181 0.000 1.105 112 R CB 1.201 31.441 30.300 -0.099 0.000 1.008 112 R HN -0.365 8.139 8.270 0.002 -0.233 0.472 113 V N 1.160 120.780 119.914 -0.491 0.000 2.525 113 V HA 0.523 4.725 4.120 -0.135 -0.163 0.299 113 V C -0.844 174.931 176.094 -0.532 0.000 1.034 113 V CA -0.861 61.246 62.300 -0.321 0.000 0.863 113 V CB 2.157 33.869 31.823 -0.184 0.000 0.999 113 V HN 0.089 7.892 8.190 -0.644 0.000 0.423 114 F N 5.763 125.723 119.950 0.017 0.000 2.563 114 F HA 0.337 4.866 4.527 0.003 0.000 0.316 114 F C -1.038 174.771 175.800 0.016 0.000 1.076 114 F CA -1.575 56.430 58.000 0.008 0.000 0.921 114 F CB 4.423 43.422 39.000 -0.000 0.000 1.209 114 F HN 0.631 9.022 8.300 0.152 0.000 0.462 115 E N 2.696 123.013 120.200 0.196 0.000 2.383 115 E HA 0.155 4.716 4.350 0.109 -0.145 0.264 115 E C -1.318 175.355 176.600 0.121 0.000 1.050 115 E CA 0.229 56.704 56.400 0.125 0.000 0.896 115 E CB 1.323 31.073 29.700 0.083 0.000 0.982 115 E HN 0.404 8.877 8.360 0.188 0.000 0.424 116 A N 4.497 127.369 122.820 0.087 0.000 2.355 116 A HA 0.711 5.201 4.320 0.041 -0.145 0.324 116 A C -1.890 175.718 177.584 0.041 0.000 1.117 116 A CA -1.712 50.358 52.037 0.055 0.000 0.785 116 A CB 3.001 22.032 19.000 0.053 0.000 1.254 116 A HN 0.350 8.550 8.150 0.083 0.000 0.453 117 L N 0.161 121.400 121.223 0.026 0.000 2.334 117 L HA 0.393 4.751 4.340 0.030 0.000 0.276 117 L C -0.949 175.941 176.870 0.033 0.000 1.014 117 L CA -1.410 53.447 54.840 0.028 0.000 0.815 117 L CB 3.260 45.332 42.059 0.021 0.000 1.268 117 L HN 0.243 8.483 8.230 0.016 0.000 0.428 118 L N 2.214 123.457 121.223 0.033 0.000 2.361 118 L HA -0.035 4.327 4.340 0.037 0.000 0.278 118 L C -0.199 176.695 176.870 0.041 0.000 1.113 118 L CA 0.668 55.529 54.840 0.035 0.000 0.849 118 L CB -0.027 42.048 42.059 0.027 0.000 1.155 118 L HN 0.290 8.539 8.230 0.030 0.000 0.452 119 V N 7.264 127.210 119.914 0.054 0.000 2.446 119 V HA -0.056 4.101 4.120 0.060 0.000 0.244 119 V C -0.502 175.610 176.094 0.029 0.000 1.039 119 V CA 1.854 64.189 62.300 0.058 0.000 1.045 119 V CB 0.918 32.796 31.823 0.091 0.000 0.681 119 V HN 0.574 8.800 8.190 0.059 0.000 0.459 120 G N -5.934 102.880 108.800 0.022 0.000 2.368 120 G HA2 0.167 4.133 3.960 0.012 0.000 0.293 120 G HA3 0.167 4.129 3.960 0.004 0.000 0.293 120 G C -3.579 171.326 174.900 0.008 0.000 1.467 120 G CA 0.103 45.209 45.100 0.010 0.000 0.804 120 G HN -0.830 7.475 8.290 0.026 0.000 0.535 121 S N -1.963 113.741 115.700 0.006 0.000 2.638 121 S HA 0.715 5.307 4.470 0.005 -0.119 0.274 121 S C -2.353 172.250 174.600 0.005 0.000 1.157 121 S CA -1.281 56.923 58.200 0.007 0.000 0.826 121 S CB 3.360 66.567 63.200 0.012 0.000 1.139 121 S HN 0.229 8.543 8.310 0.005 0.000 0.474 122 D N -0.633 119.772 120.400 0.007 0.000 2.736 122 D HA 0.359 5.001 4.640 0.004 0.000 0.243 122 D C 0.330 176.640 176.300 0.016 0.000 1.304 122 D CA -0.485 53.518 54.000 0.005 0.000 0.934 122 D CB 2.555 43.352 40.800 -0.005 0.000 1.382 122 D HN -0.054 8.322 8.370 0.011 0.000 0.571 123 S N 6.918 122.629 115.700 0.018 0.000 2.383 123 S HA -0.207 4.286 4.470 0.040 0.000 0.227 123 S C 1.269 175.885 174.600 0.028 0.000 1.026 123 S CA 3.071 61.288 58.200 0.028 0.000 0.981 123 S CB 0.032 63.246 63.200 0.023 0.000 0.818 123 S HN 0.401 8.719 8.310 0.013 0.000 0.472 124 L N 0.574 121.804 121.223 0.012 0.000 2.042 124 L HA -0.175 4.171 4.340 0.009 0.000 0.210 124 L C 0.943 177.814 176.870 0.002 0.000 1.076 124 L CA 2.247 57.089 54.840 0.004 0.000 0.749 124 L CB 0.428 42.480 42.059 -0.012 0.000 0.893 124 L HN -0.097 8.137 8.230 0.006 0.000 0.432 125 T N -6.039 108.512 114.554 -0.006 0.000 3.086 125 T HA -0.084 4.238 4.350 -0.048 0.000 0.250 125 T C 0.557 175.277 174.700 0.034 0.000 1.074 125 T CA -0.529 61.558 62.100 -0.021 0.000 0.988 125 T CB 1.112 69.950 68.868 -0.050 0.000 0.988 125 T HN -0.678 7.754 8.240 -0.005 -0.195 0.530 126 D N 1.052 121.489 120.400 0.061 0.000 2.723 126 D HA -0.297 4.435 4.640 0.097 -0.034 0.236 126 D C -1.377 174.967 176.300 0.073 0.000 1.138 126 D CA 1.202 55.264 54.000 0.103 0.000 0.676 126 D CB -0.604 40.309 40.800 0.189 0.000 1.069 126 D HN -0.185 8.045 8.370 0.049 0.169 0.430 127 L N -3.056 118.188 121.223 0.034 0.000 2.333 127 L HA 0.558 5.043 4.340 0.017 -0.135 0.269 127 L C -2.245 174.628 176.870 0.006 0.000 1.010 127 L CA -1.151 53.699 54.840 0.016 0.000 0.818 127 L CB 3.763 45.825 42.059 0.005 0.000 1.306 127 L HN -0.757 7.489 8.230 0.026 0.000 0.430 128 A N -0.287 122.532 122.820 -0.001 0.000 2.539 128 A HA 0.829 5.285 4.320 0.004 -0.134 0.296 128 A C -2.397 175.191 177.584 0.008 0.000 1.073 128 A CA -1.518 50.520 52.037 0.001 0.000 0.700 128 A CB 3.988 22.985 19.000 -0.005 0.000 1.296 128 A HN 0.406 8.554 8.150 -0.005 0.000 0.405 129 V N 0.545 120.470 119.914 0.018 0.000 2.555 129 V HA 0.892 5.238 4.120 0.043 -0.201 0.302 129 V C -1.149 174.982 176.094 0.063 0.000 1.038 129 V CA -1.974 60.351 62.300 0.042 0.000 0.887 129 V CB 2.700 34.543 31.823 0.032 0.000 0.991 129 V HN 0.161 8.361 8.190 0.017 0.000 0.434 130 L N 4.817 126.087 121.223 0.078 0.000 2.319 130 L HA 0.854 5.392 4.340 0.061 -0.161 0.267 130 L C -1.512 175.406 176.870 0.080 0.000 1.011 130 L CA -1.988 52.892 54.840 0.066 0.000 0.818 130 L CB 3.381 45.461 42.059 0.036 0.000 1.316 130 L HN 0.778 9.056 8.230 0.081 0.000 0.432 131 K N 0.814 121.229 120.400 0.026 0.000 2.378 131 K HA 0.797 5.227 4.320 -0.150 -0.200 0.252 131 K C -1.370 175.171 176.600 -0.099 0.000 0.931 131 K CA -2.236 54.002 56.287 -0.082 0.000 0.794 131 K CB 3.298 35.748 32.500 -0.083 0.000 1.181 131 K HN 0.209 8.474 8.250 0.026 0.000 0.425 132 I N -0.215 120.249 120.570 -0.176 0.000 2.648 132 I HA 0.616 4.731 4.170 -0.092 0.000 0.304 132 I C -0.482 175.478 176.117 -0.262 0.000 1.009 132 I CA -2.355 58.836 61.300 -0.181 0.000 1.114 132 I CB 2.188 40.054 38.000 -0.223 0.000 1.293 132 I HN -0.323 7.749 8.210 -0.231 0.000 0.449 133 N N 3.868 122.451 118.700 -0.194 0.000 3.331 133 N HA 0.057 4.695 4.740 -0.170 0.000 0.303 133 N C -1.366 173.976 175.510 -0.280 0.000 1.326 133 N CA -0.455 52.499 53.050 -0.161 0.000 1.207 133 N CB -2.083 36.389 38.487 -0.025 0.000 1.477 133 N HN 0.260 8.580 8.380 -0.101 0.000 0.541 134 A N 0.019 122.518 122.820 -0.534 0.000 2.330 134 A HA 0.331 4.376 4.320 -0.459 0.000 0.329 134 A C -0.611 176.799 177.584 -0.290 0.000 1.135 134 A CA -1.043 50.619 52.037 -0.626 0.000 0.817 134 A CB 1.930 20.230 19.000 -1.167 0.000 1.269 134 A HN -0.584 7.192 8.150 -0.508 0.068 0.469 135 T N -1.050 113.409 114.554 -0.158 0.000 2.748 135 T HA -0.055 4.237 4.350 -0.095 0.000 0.304 135 T C 0.387 175.015 174.700 -0.120 0.000 1.041 135 T CA -0.560 61.480 62.100 -0.099 0.000 1.033 135 T CB 0.547 69.391 68.868 -0.039 0.000 0.995 135 T HN -0.173 8.004 8.240 -0.106 0.000 0.536 136 G N -1.516 107.231 108.800 -0.089 0.000 2.529 136 G HA2 -0.119 3.874 3.960 -0.111 0.000 0.277 136 G HA3 -0.119 3.801 3.960 -0.067 0.000 0.277 136 G C -0.017 174.846 174.900 -0.061 0.000 1.383 136 G CA -0.366 44.683 45.100 -0.084 0.000 1.050 136 G HN -0.103 8.144 8.290 -0.071 0.000 0.526 137 G N -2.623 106.149 108.800 -0.046 0.000 2.137 137 G HA2 -0.252 3.695 3.960 -0.021 0.000 0.237 137 G HA3 -0.252 3.695 3.960 -0.021 0.000 0.237 137 G C 0.066 174.950 174.900 -0.027 0.000 1.002 137 G CA -0.136 44.947 45.100 -0.028 0.000 0.702 137 G HN -0.241 8.021 8.290 -0.046 0.000 0.515 138 L N 1.070 122.267 121.223 -0.044 0.000 2.461 138 L HA 0.192 4.517 4.340 -0.025 0.000 0.272 138 L C -0.949 175.911 176.870 -0.016 0.000 1.197 138 L CA -2.227 52.592 54.840 -0.036 0.000 0.836 138 L CB -1.070 40.949 42.059 -0.066 0.000 1.105 138 L HN -0.651 7.543 8.230 -0.060 0.000 0.477 139 P HA 0.069 4.489 4.420 0.000 0.000 0.268 139 P C -1.402 175.898 177.300 -0.001 0.000 1.205 139 P CA -0.150 62.950 63.100 0.001 0.000 0.771 139 P CB 0.247 31.952 31.700 0.008 0.000 0.858 140 T N -2.634 111.919 114.554 -0.001 0.000 2.908 140 T HA 0.205 4.694 4.350 0.003 -0.137 0.290 140 T C -0.447 174.250 174.700 -0.005 0.000 1.034 140 T CA -2.703 59.397 62.100 0.001 0.000 1.010 140 T CB 3.359 72.229 68.868 0.004 0.000 1.068 140 T HN -0.285 7.954 8.240 -0.001 0.000 0.481 141 I N 2.596 123.162 120.570 -0.007 0.000 2.529 141 I HA 0.127 4.285 4.170 -0.020 0.000 0.284 141 I C -2.046 174.050 176.117 -0.034 0.000 1.082 141 I CA -2.522 58.766 61.300 -0.020 0.000 1.406 141 I CB 1.380 39.368 38.000 -0.020 0.000 1.405 141 I HN -0.221 7.988 8.210 -0.001 0.000 0.548 142 P HA 0.064 4.454 4.420 -0.050 0.000 0.271 142 P C -1.812 175.421 177.300 -0.111 0.000 1.216 142 P CA -0.233 62.828 63.100 -0.064 0.000 0.771 142 P CB 0.494 32.158 31.700 -0.061 0.000 0.864 143 I N 1.043 121.544 120.570 -0.115 0.000 2.582 143 I HA 0.184 4.171 4.170 -0.305 0.000 0.292 143 I C -1.636 174.383 176.117 -0.164 0.000 1.066 143 I CA -0.679 60.507 61.300 -0.190 0.000 1.053 143 I CB 3.334 41.272 38.000 -0.104 0.000 1.241 143 I HN -0.052 8.109 8.210 -0.082 0.000 0.421 144 N N 6.387 124.927 118.700 -0.267 0.000 2.573 144 N HA 0.168 4.870 4.740 -0.064 0.000 0.262 144 N C -0.114 175.379 175.510 -0.028 0.000 1.029 144 N CA -1.082 51.890 53.050 -0.130 0.000 0.882 144 N CB 0.915 39.329 38.487 -0.123 0.000 1.204 144 N HN 0.315 8.412 8.380 -0.471 0.000 0.519 145 A N 5.293 128.178 122.820 0.108 0.000 2.172 145 A HA -0.150 4.483 4.320 0.522 0.000 0.216 145 A C 0.548 178.253 177.584 0.200 0.000 1.154 145 A CA 1.658 53.853 52.037 0.263 0.000 0.701 145 A CB -0.087 19.009 19.000 0.158 0.000 0.789 145 A HN 0.623 8.814 8.150 0.070 0.000 0.465 146 R N -3.089 117.482 120.500 0.119 0.000 2.276 146 R HA -0.027 4.360 4.340 0.078 0.000 0.196 146 R C 0.102 176.459 176.300 0.096 0.000 0.961 146 R CA 0.397 56.548 56.100 0.086 0.000 1.024 146 R CB 0.117 30.447 30.300 0.050 0.000 0.940 146 R HN -0.600 7.939 8.270 0.085 -0.219 0.480 147 R N 1.190 121.768 120.500 0.129 0.000 2.340 147 R HA -0.057 4.311 4.340 0.047 0.000 0.300 147 R C -0.921 175.458 176.300 0.132 0.000 1.069 147 R CA -0.081 56.072 56.100 0.089 0.000 0.984 147 R CB 0.415 30.720 30.300 0.008 0.000 1.003 147 R HN -0.646 7.671 8.270 0.152 0.044 0.459 148 V N 8.068 127.963 119.914 -0.031 0.000 2.347 148 V HA 0.192 4.286 4.120 -0.044 0.000 0.280 148 V C -1.811 174.055 176.094 -0.380 0.000 1.021 148 V CA -3.194 59.015 62.300 -0.152 0.000 0.847 148 V CB 1.337 33.052 31.823 -0.180 0.000 0.990 148 V HN 0.100 8.249 8.190 -0.068 0.000 0.444 149 P HA -0.047 4.297 4.420 -0.126 0.000 0.268 149 P C -1.589 175.562 177.300 -0.247 0.000 1.204 149 P CA -0.161 62.850 63.100 -0.147 0.000 0.768 149 P CB 0.563 32.269 31.700 0.011 0.000 0.842 150 H N 3.148 122.244 119.070 0.044 0.000 2.524 150 H HA 0.237 4.812 4.556 0.031 0.000 0.353 150 H C 0.023 175.365 175.328 0.023 0.000 1.136 150 H CA -1.891 54.175 56.048 0.031 0.000 1.193 150 H CB 3.663 33.440 29.762 0.025 0.000 1.558 150 H HN 0.071 8.637 8.280 -0.017 -0.296 0.515 151 I N 2.585 123.249 120.570 0.157 0.000 2.668 151 I HA -0.625 3.710 4.170 0.067 -0.125 0.285 151 I C 1.249 177.407 176.117 0.069 0.000 1.168 151 I CA 2.326 63.677 61.300 0.084 0.000 1.424 151 I CB -0.687 37.350 38.000 0.062 0.000 1.377 151 I HN 0.623 8.935 8.210 0.169 0.000 0.560 152 G N 6.744 115.570 108.800 0.043 0.000 2.232 152 G HA2 -0.385 3.586 3.960 0.018 0.000 0.226 152 G HA3 -0.385 3.595 3.960 0.033 0.000 0.226 152 G C -0.170 174.750 174.900 0.033 0.000 0.996 152 G CA -0.436 44.682 45.100 0.031 0.000 0.626 152 G HN 0.655 8.965 8.290 0.033 0.000 0.509 153 D N 3.601 124.031 120.400 0.050 0.000 2.455 153 D HA -0.070 4.597 4.640 0.045 0.000 0.241 153 D C -0.263 176.030 176.300 -0.012 0.000 1.138 153 D CA 1.523 55.545 54.000 0.036 0.000 0.877 153 D CB 0.767 41.594 40.800 0.045 0.000 1.187 153 D HN -0.446 7.909 8.370 0.069 0.056 0.451 154 V N 1.659 121.551 119.914 -0.037 0.000 2.637 154 V HA -0.048 4.148 4.120 -0.115 -0.145 0.296 154 V C -0.028 175.968 176.094 -0.163 0.000 1.046 154 V CA 0.825 63.050 62.300 -0.126 0.000 1.066 154 V CB 0.172 31.876 31.823 -0.199 0.000 0.968 154 V HN 0.141 8.322 8.190 -0.014 0.000 0.483 155 V N 0.427 120.234 119.914 -0.177 0.000 2.962 155 V HA 1.030 5.232 4.120 -0.152 -0.173 0.313 155 V C -1.706 174.283 176.094 -0.175 0.000 1.099 155 V CA -3.464 58.746 62.300 -0.150 0.000 0.971 155 V CB 3.939 35.715 31.823 -0.078 0.000 1.028 155 V HN 0.348 8.328 8.190 -0.170 0.108 0.430 156 L N 1.288 122.429 121.223 -0.137 0.000 2.341 156 L HA 0.835 5.309 4.340 -0.109 -0.200 0.278 156 L C -0.937 175.897 176.870 -0.059 0.000 1.005 156 L CA -1.685 53.093 54.840 -0.103 0.000 0.818 156 L CB 2.529 44.536 42.059 -0.086 0.000 1.259 156 L HN 0.362 8.522 8.230 -0.117 0.000 0.418 157 A N 3.154 125.947 122.820 -0.045 0.000 2.301 157 A HA 0.891 5.370 4.320 -0.026 -0.175 0.312 157 A C -1.366 176.203 177.584 -0.024 0.000 1.182 157 A CA -1.853 50.166 52.037 -0.030 0.000 0.826 157 A CB 2.155 21.138 19.000 -0.029 0.000 1.134 157 A HN 0.576 8.698 8.150 -0.047 0.000 0.501 158 I N 2.208 122.764 120.570 -0.022 0.000 2.447 158 I HA 0.715 5.063 4.170 -0.017 -0.189 0.287 158 I C -0.879 175.220 176.117 -0.030 0.000 1.023 158 I CA -1.358 59.929 61.300 -0.020 0.000 1.083 158 I CB 2.302 40.293 38.000 -0.015 0.000 1.245 158 I HN 0.242 8.439 8.210 -0.021 0.000 0.434 159 G N 4.814 113.592 108.800 -0.037 0.000 2.490 159 G HA2 0.185 4.106 3.960 -0.064 0.000 0.308 159 G HA3 0.185 4.101 3.960 -0.073 0.000 0.308 159 G C -3.378 171.481 174.900 -0.068 0.000 1.286 159 G CA 0.620 45.683 45.100 -0.062 0.000 0.825 159 G HN -0.218 8.054 8.290 -0.030 0.000 0.479 160 N N 0.386 119.021 118.700 -0.108 0.000 2.818 160 N HA 0.656 5.362 4.740 -0.056 0.000 0.301 160 N C -2.031 173.401 175.510 -0.130 0.000 1.821 160 N CA -3.736 49.254 53.050 -0.100 0.000 0.930 160 N CB 1.406 39.812 38.487 -0.134 0.000 1.263 160 N HN -0.258 8.039 8.380 -0.138 0.000 0.487 161 P HA 0.011 4.412 4.420 -0.378 -0.208 0.263 161 P C 0.200 177.455 177.300 -0.075 0.000 1.195 161 P CA 0.438 63.403 63.100 -0.226 0.000 0.762 161 P CB -0.281 31.338 31.700 -0.135 0.000 0.799 162 Y N -0.072 120.238 120.300 0.017 0.000 4.324 162 Y HA -0.523 4.101 4.550 0.124 0.000 0.224 162 Y C -0.957 174.980 175.900 0.062 0.000 1.113 162 Y CA 1.263 59.407 58.100 0.072 0.000 1.887 162 Y CB -2.325 36.178 38.460 0.072 0.000 1.602 162 Y HN 0.356 8.343 8.280 -0.488 0.000 0.654 163 N N -3.381 115.391 118.700 0.121 0.000 2.725 163 N HA -0.350 4.578 4.740 0.097 -0.130 0.249 163 N C 0.279 175.867 175.510 0.130 0.000 1.103 163 N CA 1.141 54.269 53.050 0.131 0.000 0.707 163 N CB -0.865 37.736 38.487 0.190 0.000 1.043 163 N HN -0.374 7.983 8.380 0.028 0.040 0.553 164 L N -1.973 119.323 121.223 0.121 0.000 2.376 164 L HA -0.157 4.243 4.340 0.100 0.000 0.219 164 L C 0.973 177.888 176.870 0.074 0.000 1.133 164 L CA 1.274 56.175 54.840 0.102 0.000 0.816 164 L CB 0.296 42.422 42.059 0.112 0.000 0.933 164 L HN -0.338 7.942 8.230 0.124 0.025 0.449 165 G N -3.443 105.398 108.800 0.067 0.000 2.570 165 G HA2 -0.295 3.707 3.960 0.061 0.000 0.686 165 G HA3 -0.295 3.696 3.960 0.052 0.000 0.686 165 G C -2.262 172.657 174.900 0.031 0.000 1.257 165 G CA -0.955 44.177 45.100 0.053 0.000 0.846 165 G HN -0.503 8.060 8.290 0.066 -0.233 0.627 166 Q N 1.965 121.779 119.800 0.023 0.000 2.283 166 Q HA -0.123 4.419 4.340 -0.003 -0.204 0.301 166 Q C -0.345 175.663 176.000 0.014 0.000 1.063 166 Q CA 1.441 57.250 55.803 0.010 0.000 0.952 166 Q CB 0.513 29.258 28.738 0.011 0.000 1.166 166 Q HN 0.356 8.643 8.270 0.029 0.000 0.381 167 T N 9.063 123.621 114.554 0.006 0.000 2.881 167 T HA 0.240 4.602 4.350 0.020 0.000 0.290 167 T C -1.880 172.823 174.700 0.006 0.000 1.000 167 T CA -0.809 61.298 62.100 0.013 0.000 0.978 167 T CB 2.118 70.996 68.868 0.018 0.000 0.997 167 T HN 0.404 8.641 8.240 -0.005 0.000 0.443 168 I N 5.066 125.644 120.570 0.013 0.000 2.354 168 I HA 0.748 5.117 4.170 0.000 -0.199 0.292 168 I C 0.184 176.307 176.117 0.009 0.000 0.989 168 I CA -2.592 58.714 61.300 0.009 0.000 1.188 168 I CB 0.399 38.411 38.000 0.020 0.000 1.342 168 I HN 0.335 8.556 8.210 0.019 0.000 0.457 169 T N 4.563 119.115 114.554 -0.004 0.000 2.924 169 T HA 0.375 4.728 4.350 0.006 0.000 0.291 169 T C -1.964 172.719 174.700 -0.029 0.000 1.045 169 T CA -2.180 59.917 62.100 -0.006 0.000 1.015 169 T CB 2.566 71.431 68.868 -0.005 0.000 1.103 169 T HN 0.218 8.450 8.240 -0.012 0.000 0.496 170 Q N 4.121 123.902 119.800 -0.031 0.000 2.365 170 Q HA 0.766 5.206 4.340 -0.109 -0.166 0.269 170 Q C -1.145 174.815 176.000 -0.067 0.000 1.061 170 Q CA -1.183 54.575 55.803 -0.075 0.000 0.816 170 Q CB 3.615 32.312 28.738 -0.067 0.000 1.325 170 Q HN 0.052 8.313 8.270 -0.015 0.000 0.446 171 G N 3.903 112.646 108.800 -0.095 0.000 2.772 171 G HA2 0.719 4.645 3.960 -0.056 0.000 0.284 171 G HA3 0.719 4.817 3.960 -0.063 -0.176 0.284 171 G C -2.621 172.230 174.900 -0.082 0.000 1.217 171 G CA 0.142 45.199 45.100 -0.072 0.000 0.831 171 G HN 0.537 8.753 8.290 -0.125 0.000 0.523 172 I N -6.106 114.428 120.570 -0.060 0.000 3.145 172 I HA 0.925 5.227 4.170 -0.057 -0.166 0.313 172 I C -0.874 175.222 176.117 -0.036 0.000 1.122 172 I CA -2.711 58.561 61.300 -0.047 0.000 0.987 172 I CB 4.438 42.422 38.000 -0.027 0.000 1.236 172 I HN 0.609 9.118 8.210 -0.054 -0.331 0.453 173 I N 1.481 122.041 120.570 -0.016 0.000 2.505 173 I HA 0.011 4.296 4.170 -0.005 -0.119 0.287 173 I C 0.934 177.051 176.117 -0.000 0.000 1.104 173 I CA -0.524 60.776 61.300 0.001 0.000 1.387 173 I CB -2.225 35.791 38.000 0.026 0.000 1.404 173 I HN -0.010 8.194 8.210 -0.010 0.000 0.528 174 S N 8.359 124.049 115.700 -0.016 0.000 2.492 174 S HA 0.096 4.555 4.470 -0.018 0.000 0.218 174 S C -0.487 174.112 174.600 -0.001 0.000 1.016 174 S CA 0.595 58.781 58.200 -0.023 0.000 0.916 174 S CB 1.185 64.348 63.200 -0.062 0.000 0.791 174 S HN 0.793 8.978 8.310 -0.026 0.110 0.513 175 A N -0.427 122.407 122.820 0.022 0.000 2.567 175 A HA 0.275 4.621 4.320 0.045 0.000 0.291 175 A C -2.754 174.878 177.584 0.080 0.000 1.048 175 A CA 0.104 52.171 52.037 0.050 0.000 0.661 175 A CB 1.708 20.741 19.000 0.055 0.000 1.288 175 A HN -0.802 7.362 8.150 0.024 0.000 0.424 176 T N -3.750 110.854 114.554 0.083 0.000 2.901 176 T HA 0.356 4.772 4.350 0.111 0.000 0.293 176 T C 0.322 175.076 174.700 0.090 0.000 1.084 176 T CA -2.139 60.015 62.100 0.090 0.000 1.008 176 T CB 2.699 71.605 68.868 0.063 0.000 1.170 176 T HN -0.064 8.219 8.240 0.073 0.000 0.509 177 G N -0.060 108.790 108.800 0.084 0.000 2.221 177 G HA2 -0.445 3.737 3.960 0.037 0.000 0.265 177 G HA3 -0.445 3.541 3.960 0.044 0.000 0.265 177 G C -0.190 174.765 174.900 0.091 0.000 1.041 177 G CA 0.589 45.726 45.100 0.061 0.000 0.807 177 G HN 0.030 8.476 8.290 0.083 -0.106 0.502 178 R N -1.536 119.063 120.500 0.165 0.000 2.404 178 R HA 0.235 4.649 4.340 0.124 0.000 0.291 178 R C 0.332 176.742 176.300 0.184 0.000 1.025 178 R CA -1.475 54.730 56.100 0.176 0.000 0.991 178 R CB 1.212 31.685 30.300 0.288 0.000 1.053 178 R HN -0.502 7.894 8.270 0.210 0.000 0.479 179 I N -3.759 116.860 120.570 0.082 0.000 2.928 179 I HA 0.116 4.613 4.170 0.153 -0.236 0.266 179 I C -0.022 176.097 176.117 0.004 0.000 1.234 179 I CA -0.313 61.041 61.300 0.089 0.000 1.483 179 I CB 0.630 38.648 38.000 0.029 0.000 1.097 179 I HN 0.237 8.476 8.210 0.048 0.000 0.455 180 G N -2.561 106.000 108.800 -0.398 0.000 2.447 180 G HA2 -0.266 2.281 3.960 -2.355 0.000 0.220 180 G HA3 -0.266 3.044 3.960 -1.085 0.000 0.220 180 G C -0.553 173.855 174.900 -0.819 0.000 1.261 180 G CA -0.829 43.537 45.100 -1.223 0.000 1.000 180 G HN -0.725 7.326 8.290 -0.349 0.030 0.515 181 L N -3.061 117.763 121.223 -0.664 0.000 2.056 181 L HA -0.142 4.360 4.340 0.269 0.000 0.207 181 L C 0.618 177.460 176.870 -0.047 0.000 1.078 181 L CA 2.344 57.143 54.840 -0.068 0.000 0.749 181 L CB -0.673 41.364 42.059 -0.038 0.000 0.901 181 L HN 0.153 7.896 8.230 -0.811 0.000 0.433 182 N N -2.157 116.471 118.700 -0.121 0.000 2.430 182 N HA 0.180 4.893 4.740 -0.044 0.000 0.265 182 N C -1.333 174.155 175.510 -0.036 0.000 1.100 182 N CA -2.407 50.606 53.050 -0.062 0.000 0.961 182 N CB -0.276 38.176 38.487 -0.059 0.000 1.075 182 N HN -0.103 8.169 8.380 -0.181 0.000 0.478 183 P HA -0.090 4.336 4.420 0.010 0.000 0.226 183 P C -0.189 177.112 177.300 0.002 0.000 1.153 183 P CA 1.272 64.376 63.100 0.007 0.000 0.777 183 P CB 0.275 31.987 31.700 0.019 0.000 0.794 184 T N -4.564 109.989 114.554 -0.002 0.000 3.009 184 T HA -0.048 4.303 4.350 0.002 0.000 0.258 184 T C 0.969 175.672 174.700 0.004 0.000 1.063 184 T CA -0.136 61.965 62.100 0.001 0.000 1.139 184 T CB 0.185 69.052 68.868 -0.001 0.000 0.890 184 T HN -0.187 7.994 8.240 -0.006 0.056 0.471 185 G N 1.833 110.638 108.800 0.009 0.000 2.636 185 G HA2 -0.213 3.755 3.960 0.014 0.000 0.246 185 G HA3 -0.213 3.768 3.960 0.036 0.000 0.246 185 G C -1.386 173.525 174.900 0.017 0.000 1.216 185 G CA -0.488 44.624 45.100 0.020 0.000 0.854 185 G HN -0.427 7.867 8.290 0.006 0.000 0.572 186 R N -0.445 120.059 120.500 0.007 0.000 2.577 186 R HA 0.161 4.499 4.340 -0.002 0.000 0.344 186 R C -0.410 175.869 176.300 -0.034 0.000 1.037 186 R CA -0.272 55.823 56.100 -0.009 0.000 1.102 186 R CB -0.113 30.178 30.300 -0.015 0.000 1.313 186 R HN 0.338 8.610 8.270 0.004 0.000 0.561 187 Q N -0.094 119.682 119.800 -0.040 0.000 2.382 187 Q HA 0.049 4.288 4.340 -0.168 0.000 0.229 187 Q C -1.475 174.410 176.000 -0.192 0.000 1.006 187 Q CA -1.479 54.227 55.803 -0.162 0.000 0.916 187 Q CB 1.114 29.700 28.738 -0.254 0.000 1.235 187 Q HN -0.219 8.052 8.270 0.002 0.000 0.512 188 N N -0.085 118.418 118.700 -0.328 0.000 2.372 188 N HA 0.172 4.975 4.740 -0.080 -0.111 0.291 188 N C -1.527 173.753 175.510 -0.384 0.000 1.024 188 N CA -0.724 52.196 53.050 -0.217 0.000 0.873 188 N CB 1.661 40.062 38.487 -0.142 0.000 1.206 188 N HN 0.033 8.185 8.380 -0.380 0.000 0.486 189 F N 1.691 121.654 119.950 0.023 0.000 2.563 189 F HA 0.391 5.073 4.527 0.074 -0.111 0.316 189 F C -0.408 175.470 175.800 0.129 0.000 1.076 189 F CA -1.409 56.644 58.000 0.087 0.000 0.921 189 F CB 4.478 43.554 39.000 0.126 0.000 1.209 189 F HN 0.003 8.517 8.300 0.213 -0.086 0.462 190 L N 0.036 121.460 121.223 0.334 0.000 2.417 190 L HA 0.151 4.717 4.340 0.190 -0.111 0.268 190 L C -0.939 176.098 176.870 0.279 0.000 1.158 190 L CA -0.294 54.688 54.840 0.236 0.000 0.819 190 L CB 0.819 42.971 42.059 0.156 0.000 1.112 190 L HN 0.479 8.897 8.230 0.314 0.000 0.458 191 Q N 1.972 121.861 119.800 0.149 0.000 2.309 191 Q HA 0.804 5.233 4.340 -0.154 -0.181 0.264 191 Q C -1.202 174.742 176.000 -0.093 0.000 1.008 191 Q CA -1.675 54.100 55.803 -0.047 0.000 0.853 191 Q CB 3.823 32.526 28.738 -0.058 0.000 1.314 191 Q HN 0.177 8.521 8.270 0.122 0.000 0.448 192 T N 4.411 118.858 114.554 -0.178 0.000 2.900 192 T HA 0.718 5.162 4.350 -0.088 -0.146 0.303 192 T C -1.518 173.095 174.700 -0.145 0.000 1.142 192 T CA -2.895 59.134 62.100 -0.118 0.000 1.007 192 T CB 1.638 70.463 68.868 -0.072 0.000 1.156 192 T HN 0.642 8.714 8.240 -0.279 0.000 0.490 193 D N 4.207 124.547 120.400 -0.100 0.000 2.368 193 D HA 0.217 4.862 4.640 -0.103 -0.067 0.218 193 D C -0.623 175.639 176.300 -0.063 0.000 1.112 193 D CA -1.713 52.235 54.000 -0.086 0.000 0.834 193 D CB -0.296 40.463 40.800 -0.068 0.000 0.953 193 D HN -0.100 8.220 8.370 -0.082 0.000 0.505 194 A N 0.578 123.360 122.820 -0.063 0.000 2.492 194 A HA -0.125 4.330 4.320 -0.045 -0.162 0.254 194 A C -0.689 176.870 177.584 -0.041 0.000 1.091 194 A CA 0.709 52.716 52.037 -0.050 0.000 0.768 194 A CB 0.407 19.375 19.000 -0.054 0.000 1.028 194 A HN -0.633 7.431 8.150 -0.069 0.045 0.498 195 S N 1.106 116.792 115.700 -0.024 0.000 2.515 195 S HA -0.080 4.381 4.470 -0.015 0.000 0.285 195 S C -0.355 174.236 174.600 -0.014 0.000 1.265 195 S CA 0.683 58.876 58.200 -0.011 0.000 1.079 195 S CB 0.058 63.264 63.200 0.010 0.000 0.877 195 S HN -0.017 8.282 8.310 -0.019 0.000 0.493 196 I N -0.259 120.300 120.570 -0.018 0.000 2.689 196 I HA 0.401 4.688 4.170 -0.035 -0.138 0.299 196 I C -2.180 173.920 176.117 -0.029 0.000 1.059 196 I CA -1.975 59.308 61.300 -0.029 0.000 1.055 196 I CB 3.857 41.839 38.000 -0.029 0.000 1.243 196 I HN -0.274 7.925 8.210 -0.018 0.000 0.425 197 N N 1.086 119.734 118.700 -0.086 0.000 2.697 197 N HA 0.359 5.061 4.740 -0.063 0.000 0.272 197 N C -1.497 173.870 175.510 -0.239 0.000 1.381 197 N CA -1.240 51.717 53.050 -0.156 0.000 0.797 197 N CB 4.434 42.758 38.487 -0.273 0.000 1.523 197 N HN -0.123 8.485 8.380 -0.111 -0.294 0.518 198 H N 0.194 119.035 119.070 -0.382 0.000 3.167 198 H HA -0.346 4.115 4.556 -0.158 0.000 0.306 198 H C 0.798 175.906 175.328 -0.366 0.000 0.965 198 H CA 3.036 58.905 56.048 -0.299 0.000 1.408 198 H CB 0.363 29.992 29.762 -0.221 0.000 1.406 198 H HN 0.522 8.698 8.280 -0.174 0.000 0.576 199 G N 5.917 114.287 108.800 -0.716 0.000 2.238 199 G HA2 -0.472 3.287 3.960 -0.582 0.000 0.217 199 G HA3 -0.472 3.340 3.960 -0.493 -0.148 0.217 199 G C 0.277 174.998 174.900 -0.299 0.000 0.996 199 G CA 0.866 45.645 45.100 -0.535 0.000 0.632 199 G HN 0.571 8.475 8.290 -0.643 0.000 0.503 200 N N 0.359 118.926 118.700 -0.221 0.000 2.446 200 N HA -0.074 4.591 4.740 -0.125 0.000 0.179 200 N C -0.009 175.452 175.510 -0.083 0.000 1.054 200 N CA 1.324 54.298 53.050 -0.127 0.000 0.905 200 N CB 0.929 39.364 38.487 -0.087 0.000 0.973 200 N HN 0.004 8.190 8.380 -0.229 0.056 0.448 201 S N -1.374 114.284 115.700 -0.070 0.000 2.537 201 S HA -0.328 4.321 4.470 0.036 -0.157 0.286 201 S C 0.749 175.301 174.600 -0.081 0.000 1.299 201 S CA 2.717 60.909 58.200 -0.012 0.000 1.067 201 S CB 0.119 63.370 63.200 0.085 0.000 0.864 201 S HN -0.479 7.740 8.310 -0.094 0.035 0.494 202 G N 4.884 113.658 108.800 -0.043 0.000 2.195 202 G HA2 -0.421 3.519 3.960 -0.033 0.000 0.246 202 G HA3 -0.421 3.652 3.960 -0.088 -0.166 0.246 202 G C -0.376 174.504 174.900 -0.032 0.000 0.984 202 G CA 0.028 45.096 45.100 -0.053 0.000 0.633 202 G HN 0.735 9.091 8.290 0.003 -0.065 0.525 203 G N 0.402 109.183 108.800 -0.032 0.000 2.616 203 G HA2 0.257 4.198 3.960 -0.031 0.000 0.268 203 G HA3 0.257 4.381 3.960 -0.034 -0.185 0.268 203 G C -2.095 172.804 174.900 -0.002 0.000 1.213 203 G CA -1.225 43.859 45.100 -0.026 0.000 0.926 203 G HN -0.437 7.756 8.290 -0.035 0.076 0.523 204 A N -1.401 121.416 122.820 -0.005 0.000 2.327 204 A HA 0.405 4.855 4.320 0.014 -0.122 0.283 204 A C -1.977 175.607 177.584 0.000 0.000 1.127 204 A CA -1.064 50.974 52.037 0.002 0.000 0.810 204 A CB 1.965 20.961 19.000 -0.008 0.000 1.066 204 A HN -0.164 7.978 8.150 -0.013 0.000 0.492 205 L N 3.877 125.106 121.223 0.010 0.000 2.325 205 L HA 0.909 5.438 4.340 -0.013 -0.197 0.281 205 L C -1.638 175.223 176.870 -0.015 0.000 1.004 205 L CA -1.209 53.631 54.840 0.000 0.000 0.823 205 L CB 3.288 45.361 42.059 0.024 0.000 1.236 205 L HN 0.058 8.302 8.230 0.023 0.000 0.415 206 V N 1.098 120.990 119.914 -0.038 0.000 3.001 206 V HA 0.960 5.195 4.120 -0.062 -0.152 0.314 206 V C -1.635 174.418 176.094 -0.067 0.000 1.099 206 V CA -3.740 58.527 62.300 -0.055 0.000 0.989 206 V CB 3.913 35.705 31.823 -0.052 0.000 1.040 206 V HN 0.706 8.870 8.190 -0.043 0.000 0.434 207 N N 0.981 119.640 118.700 -0.069 0.000 2.418 207 N HA 0.492 5.354 4.740 -0.080 -0.171 0.283 207 N C 1.925 177.408 175.510 -0.045 0.000 1.267 207 N CA -1.674 51.337 53.050 -0.064 0.000 0.975 207 N CB 1.006 39.465 38.487 -0.046 0.000 1.167 207 N HN -0.118 8.216 8.380 -0.076 0.000 0.581 208 S N -0.678 115.014 115.700 -0.014 0.000 2.474 208 S HA -0.188 4.344 4.470 0.102 0.000 0.235 208 S C 0.848 175.495 174.600 0.078 0.000 0.997 208 S CA 2.461 60.711 58.200 0.084 0.000 0.949 208 S CB -0.746 62.564 63.200 0.183 0.000 0.766 208 S HN 0.364 8.666 8.310 -0.013 0.000 0.517 209 L N -2.378 118.861 121.223 0.027 0.000 2.492 209 L HA 0.087 4.441 4.340 0.023 0.000 0.223 209 L C 1.007 177.873 176.870 -0.006 0.000 1.132 209 L CA 0.303 55.149 54.840 0.010 0.000 0.850 209 L CB 0.099 42.152 42.059 -0.009 0.000 0.966 209 L HN -0.738 7.649 8.230 0.011 -0.150 0.454 210 G N -2.856 105.935 108.800 -0.016 0.000 2.176 210 G HA2 -0.463 3.482 3.960 -0.025 0.000 0.253 210 G HA3 -0.463 3.485 3.960 -0.019 0.000 0.253 210 G C -0.427 174.435 174.900 -0.063 0.000 0.979 210 G CA -0.120 44.963 45.100 -0.029 0.000 0.641 210 G HN -0.169 8.018 8.290 -0.015 0.094 0.530 211 E N -0.256 119.890 120.200 -0.090 0.000 2.384 211 E HA -0.249 4.168 4.350 -0.163 -0.165 0.266 211 E C -0.640 175.842 176.600 -0.196 0.000 1.012 211 E CA -0.042 56.261 56.400 -0.163 0.000 0.901 211 E CB 0.745 30.328 29.700 -0.196 0.000 0.967 211 E HN -0.683 7.757 8.360 -0.078 -0.126 0.435 212 L N 4.824 125.894 121.223 -0.256 0.000 2.433 212 L HA -0.099 4.285 4.340 -0.120 -0.116 0.275 212 L C -0.708 175.985 176.870 -0.294 0.000 1.128 212 L CA 0.859 55.574 54.840 -0.208 0.000 0.875 212 L CB 0.275 42.247 42.059 -0.145 0.000 1.171 212 L HN -0.105 7.958 8.230 -0.278 0.000 0.463 213 M N 4.187 123.742 119.600 -0.075 0.000 2.394 213 M HA 0.119 4.699 4.480 0.167 0.000 0.266 213 M C 0.263 176.719 176.300 0.261 0.000 1.098 213 M CA 0.211 55.577 55.300 0.111 0.000 1.149 213 M CB 0.981 33.620 32.600 0.066 0.000 1.369 213 M HN 0.242 8.502 8.290 -0.051 0.000 0.450 214 G N -4.462 104.432 108.800 0.157 0.000 2.576 214 G HA2 0.307 4.527 3.960 0.183 0.000 0.290 214 G HA3 0.307 4.353 3.960 0.144 0.000 0.290 214 G C -2.959 172.007 174.900 0.110 0.000 1.442 214 G CA 0.324 45.517 45.100 0.154 0.000 0.792 214 G HN -0.596 7.753 8.290 0.098 0.000 0.491 215 I N -0.498 120.141 120.570 0.114 0.000 2.328 215 I HA 0.595 4.992 4.170 0.070 -0.185 0.287 215 I C -0.611 175.577 176.117 0.119 0.000 1.012 215 I CA -3.658 57.698 61.300 0.093 0.000 1.195 215 I CB -0.107 37.942 38.000 0.081 0.000 1.350 215 I HN 0.099 8.384 8.210 0.125 0.000 0.464 216 N N 8.653 127.406 118.700 0.088 0.000 2.492 216 N HA -0.028 4.908 4.740 0.124 -0.122 0.262 216 N C -0.005 175.580 175.510 0.125 0.000 1.202 216 N CA 1.436 54.545 53.050 0.098 0.000 0.926 216 N CB 0.655 39.169 38.487 0.045 0.000 1.078 216 N HN 0.186 8.602 8.380 0.060 0.000 0.454 217 T N 1.596 116.253 114.554 0.171 0.000 3.250 217 T HA 0.346 5.045 4.350 0.231 -0.211 0.265 217 T C -1.450 173.359 174.700 0.181 0.000 0.973 217 T CA 0.860 63.093 62.100 0.221 0.000 1.040 217 T CB 2.310 71.367 68.868 0.315 0.000 1.167 217 T HN 0.447 8.789 8.240 0.170 0.000 0.471 218 L N -5.722 115.572 121.223 0.119 0.000 2.469 218 L HA 0.529 4.910 4.340 0.067 0.000 0.256 218 L C -2.573 174.374 176.870 0.129 0.000 1.006 218 L CA -1.270 53.619 54.840 0.082 0.000 0.832 218 L CB 2.662 44.717 42.059 -0.006 0.000 1.421 218 L HN -0.921 7.389 8.230 0.134 0.000 0.410 219 S N -1.011 114.744 115.700 0.093 0.000 2.472 219 S HA 0.224 4.845 4.470 0.075 -0.107 0.303 219 S C -0.563 174.129 174.600 0.152 0.000 1.099 219 S CA -1.954 56.302 58.200 0.094 0.000 1.077 219 S CB 1.502 64.730 63.200 0.046 0.000 1.031 219 S HN -0.104 8.242 8.310 0.059 0.000 0.487 220 F N 8.562 128.555 119.950 0.071 0.000 2.504 220 F HA -0.125 4.482 4.527 0.133 0.000 0.369 220 F C -1.488 174.336 175.800 0.039 0.000 1.082 220 F CA 1.198 59.261 58.000 0.105 0.000 1.216 220 F CB 1.132 40.214 39.000 0.137 0.000 1.108 220 F HN 0.113 8.588 8.300 0.291 0.000 0.554 221 D N 2.955 123.069 120.400 -0.477 0.000 2.562 221 D HA -0.024 4.547 4.640 -0.114 0.000 0.246 221 D C -1.340 174.730 176.300 -0.383 0.000 1.347 221 D CA -0.139 53.696 54.000 -0.276 0.000 0.800 221 D CB 0.372 41.085 40.800 -0.144 0.000 1.111 221 D HN 0.198 8.131 8.370 -0.728 0.000 0.508 222 K N 0.101 120.016 120.400 -0.808 0.000 2.310 222 K HA 0.099 4.237 4.320 -0.304 0.000 0.290 222 K C -1.038 175.484 176.600 -0.130 0.000 1.077 222 K CA -0.367 55.642 56.287 -0.462 0.000 0.922 222 K CB -0.861 31.319 32.500 -0.535 0.000 1.057 222 K HN -0.345 6.957 8.250 -1.579 0.000 0.479 223 S N 2.415 118.083 115.700 -0.053 0.000 2.554 223 S HA 0.042 4.667 4.470 0.066 -0.116 0.278 223 S C 0.140 174.760 174.600 0.033 0.000 1.242 223 S CA -1.364 56.850 58.200 0.023 0.000 1.051 223 S CB 1.306 64.510 63.200 0.007 0.000 0.986 223 S HN 0.095 8.360 8.310 -0.075 0.000 0.502 224 N N 6.859 125.592 118.700 0.056 0.000 2.135 224 N HA -0.079 4.688 4.740 0.045 0.000 0.186 224 N C -0.016 175.510 175.510 0.026 0.000 1.027 224 N CA 1.726 54.803 53.050 0.045 0.000 0.849 224 N CB 0.551 39.069 38.487 0.051 0.000 1.002 224 N HN 0.260 9.101 8.380 0.070 -0.419 0.425 225 D N -5.840 114.575 120.400 0.024 0.000 2.996 225 D HA 0.163 4.810 4.640 0.012 0.000 0.343 225 D C 0.408 176.715 176.300 0.013 0.000 1.574 225 D CA -0.457 53.552 54.000 0.016 0.000 0.773 225 D CB -0.448 40.361 40.800 0.015 0.000 1.241 225 D HN -0.479 8.186 8.370 0.028 -0.279 0.469 226 G N 0.240 109.048 108.800 0.013 0.000 2.278 226 G HA2 -0.371 3.592 3.960 0.006 0.000 0.210 226 G HA3 -0.371 3.594 3.960 0.009 0.000 0.210 226 G C -0.499 174.409 174.900 0.015 0.000 1.000 226 G CA 0.162 45.268 45.100 0.010 0.000 0.635 226 G HN -0.055 8.243 8.290 0.014 0.000 0.495 227 E N 2.660 122.874 120.200 0.023 0.000 2.409 227 E HA -0.053 4.311 4.350 0.023 0.000 0.257 227 E C -1.324 175.297 176.600 0.036 0.000 1.150 227 E CA 0.088 56.505 56.400 0.028 0.000 0.942 227 E CB 0.318 30.038 29.700 0.034 0.000 0.979 227 E HN -0.431 7.944 8.360 0.025 0.000 0.447 228 T N 3.211 117.788 114.554 0.038 0.000 2.749 228 T HA 0.321 4.697 4.350 0.044 0.000 0.287 228 T C -1.764 172.978 174.700 0.069 0.000 0.970 228 T CA -2.668 59.460 62.100 0.046 0.000 0.980 228 T CB 0.406 69.296 68.868 0.037 0.000 0.924 228 T HN 0.011 8.271 8.240 0.034 0.000 0.456 229 P HA 0.022 4.522 4.420 0.135 0.000 0.268 229 P C -1.815 175.544 177.300 0.099 0.000 1.205 229 P CA -0.102 63.091 63.100 0.154 0.000 0.771 229 P CB 0.658 32.565 31.700 0.345 0.000 0.858 230 E N 1.987 122.223 120.200 0.060 0.000 2.224 230 E HA 0.041 4.413 4.350 0.037 0.000 0.265 230 E C 0.254 176.853 176.600 -0.001 0.000 0.878 230 E CA -0.697 55.721 56.400 0.030 0.000 0.759 230 E CB 1.275 30.987 29.700 0.020 0.000 1.164 230 E HN 0.105 8.495 8.360 0.049 0.000 0.414 231 G N 3.362 112.154 108.800 -0.013 0.000 2.176 231 G HA2 -0.388 3.544 3.960 -0.047 0.000 0.252 231 G HA3 -0.388 3.544 3.960 -0.046 0.000 0.252 231 G C -1.268 173.570 174.900 -0.103 0.000 1.024 231 G CA 0.333 45.404 45.100 -0.049 0.000 0.755 231 G HN 0.634 8.923 8.290 -0.001 0.000 0.507 232 I N 0.385 120.888 120.570 -0.112 0.000 2.405 232 I HA 0.115 4.095 4.170 -0.316 0.000 0.280 232 I C -1.878 174.045 176.117 -0.324 0.000 1.027 232 I CA -0.862 60.289 61.300 -0.248 0.000 1.161 232 I CB 0.477 38.344 38.000 -0.221 0.000 1.300 232 I HN -0.380 7.797 8.210 -0.054 0.000 0.463 233 G N 4.978 113.489 108.800 -0.482 0.000 2.574 233 G HA2 0.862 4.748 3.960 -0.314 0.000 0.299 233 G HA3 0.862 4.685 3.960 -0.229 0.000 0.299 233 G C -2.656 171.841 174.900 -0.672 0.000 1.298 233 G CA -1.305 43.544 45.100 -0.418 0.000 0.952 233 G HN 0.219 8.227 8.290 -0.471 0.000 0.477 234 F N -1.346 118.577 119.950 -0.044 0.000 2.563 234 F HA 0.933 5.650 4.527 0.000 -0.189 0.316 234 F C -1.951 173.884 175.800 0.058 0.000 1.076 234 F CA -2.096 55.869 58.000 -0.058 0.000 0.921 234 F CB 4.927 43.709 39.000 -0.363 0.000 1.209 234 F HN 0.342 8.651 8.300 0.014 0.000 0.462 235 A N -0.091 122.972 122.820 0.405 0.000 2.449 235 A HA 0.777 5.436 4.320 0.323 -0.146 0.302 235 A C -2.079 175.768 177.584 0.438 0.000 1.048 235 A CA -1.950 50.296 52.037 0.349 0.000 0.708 235 A CB 3.713 22.828 19.000 0.191 0.000 1.274 235 A HN 0.755 9.184 8.150 0.465 0.000 0.410 236 I N 2.849 123.607 120.570 0.313 0.000 2.533 236 I HA 0.254 4.398 4.170 -0.043 0.000 0.284 236 I C -1.473 174.678 176.117 0.057 0.000 1.109 236 I CA -1.798 59.555 61.300 0.088 0.000 1.412 236 I CB 0.471 38.494 38.000 0.039 0.000 1.396 236 I HN 0.105 8.491 8.210 0.294 0.000 0.543 237 P HA 0.042 4.627 4.420 0.057 -0.130 0.266 237 P C 0.898 178.171 177.300 -0.045 0.000 1.195 237 P CA -0.235 62.851 63.100 -0.023 0.000 0.768 237 P CB 0.235 31.859 31.700 -0.126 0.000 0.838 238 F N 3.090 123.030 119.950 -0.018 0.000 2.216 238 F HA -0.351 4.167 4.527 -0.015 0.000 0.300 238 F C 1.124 176.907 175.800 -0.028 0.000 1.085 238 F CA 3.645 61.633 58.000 -0.019 0.000 1.326 238 F CB -0.597 38.393 39.000 -0.017 0.000 1.027 238 F HN -0.166 8.296 8.300 0.269 0.000 0.497 239 Q N -0.029 119.209 119.800 -0.936 0.000 2.124 239 Q HA -0.308 3.698 4.340 -0.558 0.000 0.202 239 Q C 2.004 177.838 176.000 -0.277 0.000 0.977 239 Q CA 2.333 57.744 55.803 -0.653 0.000 0.850 239 Q CB -1.157 27.164 28.738 -0.695 0.000 0.901 239 Q HN 0.125 7.657 8.270 -1.201 0.018 0.429 240 L N 1.146 122.230 121.223 -0.231 0.000 2.072 240 L HA -0.210 4.046 4.340 -0.141 0.000 0.205 240 L C 1.048 177.863 176.870 -0.093 0.000 1.079 240 L CA 2.138 56.889 54.840 -0.149 0.000 0.752 240 L CB -0.657 41.307 42.059 -0.158 0.000 0.906 240 L HN -0.678 7.395 8.230 -0.262 0.000 0.436 241 A N -2.270 120.514 122.820 -0.060 0.000 1.908 241 A HA -0.397 3.911 4.320 -0.020 0.000 0.218 241 A C 1.897 179.479 177.584 -0.003 0.000 1.181 241 A CA 3.482 55.512 52.037 -0.012 0.000 0.627 241 A CB -0.792 18.230 19.000 0.037 0.000 0.818 241 A HN -0.256 7.855 8.150 -0.064 0.000 0.445 242 T N -3.607 110.953 114.554 0.009 0.000 2.857 242 T HA -0.396 3.967 4.350 0.021 0.000 0.266 242 T C 1.859 176.547 174.700 -0.021 0.000 1.048 242 T CA 3.661 65.770 62.100 0.016 0.000 1.139 242 T CB -0.369 68.537 68.868 0.062 0.000 0.874 242 T HN -0.178 8.067 8.240 0.009 0.000 0.455 243 K N 2.760 123.134 120.400 -0.043 0.000 2.026 243 K HA -0.263 4.029 4.320 -0.046 0.000 0.208 243 K C 2.101 178.671 176.600 -0.049 0.000 1.048 243 K CA 3.220 59.476 56.287 -0.051 0.000 0.929 243 K CB -0.071 32.388 32.500 -0.067 0.000 0.713 243 K HN -0.859 7.358 8.250 -0.056 0.000 0.439 244 I N -0.775 119.766 120.570 -0.049 0.000 2.252 244 I HA -0.398 3.745 4.170 -0.045 0.000 0.245 244 I C 1.826 177.917 176.117 -0.043 0.000 1.102 244 I CA 2.577 63.850 61.300 -0.044 0.000 1.385 244 I CB -0.818 37.158 38.000 -0.041 0.000 1.064 244 I HN -0.171 8.009 8.210 -0.051 0.000 0.414 245 M N 0.911 120.487 119.600 -0.040 0.000 2.082 245 M HA -0.584 3.866 4.480 -0.049 0.000 0.258 245 M C 1.507 177.756 176.300 -0.086 0.000 1.069 245 M CA 4.582 59.850 55.300 -0.053 0.000 1.102 245 M CB -0.244 32.331 32.600 -0.041 0.000 1.336 245 M HN 0.024 8.294 8.290 -0.033 0.000 0.404 246 D N -1.035 119.319 120.400 -0.076 0.000 2.144 246 D HA -0.286 4.283 4.640 -0.118 0.000 0.199 246 D C 2.540 178.791 176.300 -0.081 0.000 0.984 246 D CA 3.423 57.369 54.000 -0.089 0.000 0.834 246 D CB -0.643 40.118 40.800 -0.064 0.000 0.955 246 D HN -0.373 7.961 8.370 -0.060 0.000 0.465 247 K N -0.112 120.251 120.400 -0.063 0.000 2.057 247 K HA -0.260 4.030 4.320 -0.050 0.000 0.207 247 K C 2.420 178.987 176.600 -0.054 0.000 1.049 247 K CA 3.437 59.692 56.287 -0.052 0.000 0.931 247 K CB 0.030 32.504 32.500 -0.043 0.000 0.714 247 K HN -0.750 7.465 8.250 -0.057 0.000 0.440 248 L N -1.290 119.899 121.223 -0.057 0.000 2.093 248 L HA -0.332 3.986 4.340 -0.038 0.000 0.208 248 L C 2.521 179.349 176.870 -0.069 0.000 1.085 248 L CA 2.971 57.781 54.840 -0.050 0.000 0.755 248 L CB -0.249 41.786 42.059 -0.040 0.000 0.904 248 L HN -0.272 7.923 8.230 -0.058 0.000 0.435 249 I N -1.251 119.247 120.570 -0.119 0.000 2.226 249 I HA -0.497 3.574 4.170 -0.165 0.000 0.245 249 I C 1.602 177.653 176.117 -0.110 0.000 1.100 249 I CA 3.488 64.683 61.300 -0.175 0.000 1.374 249 I CB -0.289 37.512 38.000 -0.332 0.000 1.057 249 I HN -0.135 7.997 8.210 -0.130 0.000 0.413 250 R N -0.955 119.492 120.500 -0.087 0.000 2.075 250 R HA -0.176 4.130 4.340 -0.057 0.000 0.226 250 R C 1.377 177.654 176.300 -0.038 0.000 1.114 250 R CA 2.825 58.890 56.100 -0.058 0.000 0.972 250 R CB 0.643 30.913 30.300 -0.051 0.000 0.869 250 R HN -0.465 7.751 8.270 -0.089 0.000 0.437 251 D N -5.791 114.587 120.400 -0.036 0.000 2.449 251 D HA 0.213 4.840 4.640 -0.020 0.000 0.210 251 D C 0.071 176.360 176.300 -0.018 0.000 1.094 251 D CA 0.035 54.021 54.000 -0.024 0.000 0.846 251 D CB 1.460 42.246 40.800 -0.023 0.000 1.003 251 D HN -0.299 8.046 8.370 -0.042 0.000 0.504 252 G N -0.161 108.626 108.800 -0.020 0.000 2.179 252 G HA2 -0.412 3.624 3.960 -0.010 0.000 0.260 252 G HA3 -0.412 3.545 3.960 -0.006 0.000 0.260 252 G C -1.915 172.980 174.900 -0.009 0.000 0.977 252 G CA 0.759 45.852 45.100 -0.011 0.000 0.641 252 G HN 0.248 8.414 8.290 -0.028 0.107 0.533 253 R N -5.015 115.477 120.500 -0.014 0.000 2.728 253 R HA 0.261 4.595 4.340 -0.010 0.000 0.274 253 R C -2.136 174.154 176.300 -0.017 0.000 1.032 253 R CA -1.983 54.110 56.100 -0.012 0.000 0.866 253 R CB 2.125 32.421 30.300 -0.008 0.000 1.263 253 R HN -0.894 7.285 8.270 -0.018 0.080 0.475 254 V N 1.061 120.965 119.914 -0.017 0.000 2.385 254 V HA 0.040 4.145 4.120 -0.024 0.000 0.269 254 V C -0.724 175.359 176.094 -0.018 0.000 1.043 254 V CA -0.295 61.992 62.300 -0.021 0.000 0.906 254 V CB 0.390 32.199 31.823 -0.023 0.000 0.995 254 V HN 0.278 8.460 8.190 -0.014 0.000 0.467 255 I N 9.020 129.578 120.570 -0.019 0.000 2.322 255 I HA 0.005 4.167 4.170 -0.014 0.000 0.292 255 I C -0.631 175.476 176.117 -0.018 0.000 1.060 255 I CA -0.043 61.247 61.300 -0.017 0.000 1.309 255 I CB -0.425 37.565 38.000 -0.016 0.000 1.415 255 I HN 0.346 8.543 8.210 -0.021 0.000 0.492 256 R N 0.000 120.490 120.500 -0.016 0.000 2.786 256 R HA 0.000 4.328 4.340 -0.019 0.000 0.208 256 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 256 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 256 R HN 0.000 8.261 8.270 -0.015 0.000 0.535