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 2ba1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRFVMPGDRI GSAEEYVKGE GVYEEGGELF AAVAGKLIIK DRVAKVESIS DATA SEQUENCE PIPEIVKGDV VLGRVVDLRN SIALIEVSSK KGENRGPSNR GIGILHVSNV DATA SEQUENCE DEGYVKEISE AVGYLDILKA RVIGDNLRLS TKEEEMGVLR ALCSNCKTEM DATA SEQUENCE VREGDILKCP ECGRVEKRKI STDYGKGEW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.341 176.300 0.068 0.000 1.140 1 M CA 0.000 55.336 55.300 0.060 0.000 0.988 1 M CB 0.000 32.648 32.600 0.081 0.000 1.302 2 R N 2.425 122.969 120.500 0.073 0.000 2.297 2 R HA 0.180 4.519 4.340 -0.002 0.000 0.197 2 R C 0.063 176.407 176.300 0.074 0.000 0.943 2 R CA 0.186 56.314 56.100 0.047 0.000 1.038 2 R CB 0.232 30.550 30.300 0.031 0.000 0.957 2 R HN 0.533 8.803 8.270 -0.000 0.000 0.484 3 F N 1.335 121.276 119.950 -0.016 0.000 2.578 3 F HA 0.114 4.640 4.527 -0.000 0.000 0.376 3 F C -0.227 175.566 175.800 -0.011 0.000 1.085 3 F CA -0.042 57.951 58.000 -0.011 0.000 1.260 3 F CB 0.560 39.557 39.000 -0.006 0.000 1.095 3 F HN -0.367 7.933 8.300 -0.000 0.000 0.573 4 V N 7.721 127.103 119.914 -0.886 0.000 2.789 4 V HA 0.364 4.483 4.120 -0.002 0.000 0.311 4 V C -0.125 175.417 176.094 -0.920 0.000 1.073 4 V CA -1.078 60.804 62.300 -0.697 0.000 0.921 4 V CB 1.956 33.582 31.823 -0.327 0.000 1.009 4 V HN 0.721 8.911 8.190 -0.000 0.000 0.426 5 M N 5.417 124.691 119.600 -0.544 0.000 2.444 5 M HA 0.482 4.961 4.480 -0.002 0.000 0.319 5 M C -2.591 173.633 176.300 -0.127 0.000 1.183 5 M CA -2.478 52.646 55.300 -0.292 0.000 1.032 5 M CB 1.866 34.416 32.600 -0.084 0.000 1.569 5 M HN 0.316 8.606 8.290 -0.000 0.000 0.468 6 P HA 0.165 4.585 4.420 -0.000 0.000 0.271 6 P C 0.534 177.873 177.300 0.066 0.000 1.220 6 P CA 0.630 63.748 63.100 0.029 0.000 0.768 6 P CB 0.646 32.370 31.700 0.039 0.000 0.848 7 G N 2.175 111.055 108.800 0.133 0.000 2.179 7 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.220 7 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.220 7 G C -0.284 174.740 174.900 0.206 0.000 0.990 7 G CA -0.379 44.809 45.100 0.148 0.000 0.646 7 G HN 0.506 8.796 8.290 -0.000 0.000 0.517 8 D N 0.450 120.920 120.400 0.117 0.000 2.256 8 D HA 0.441 5.079 4.640 -0.002 0.000 0.250 8 D C 0.754 177.064 176.300 0.016 0.000 1.093 8 D CA -0.321 53.713 54.000 0.057 0.000 0.882 8 D CB 0.964 41.737 40.800 -0.045 0.000 1.185 8 D HN 0.396 8.766 8.370 -0.000 0.000 0.437 9 R N 2.613 123.076 120.500 -0.061 0.000 2.347 9 R HA 0.127 4.466 4.340 -0.002 0.000 0.304 9 R C 0.467 176.613 176.300 -0.257 0.000 1.072 9 R CA -0.309 55.601 56.100 -0.318 0.000 0.980 9 R CB 0.375 30.484 30.300 -0.318 0.000 0.986 9 R HN 0.340 8.610 8.270 -0.000 0.000 0.448 10 I N 2.473 122.852 120.570 -0.319 0.000 2.927 10 I HA 0.297 4.466 4.170 -0.002 0.000 0.268 10 I C 1.078 177.054 176.117 -0.235 0.000 1.153 10 I CA 1.102 62.232 61.300 -0.282 0.000 1.459 10 I CB 0.415 38.220 38.000 -0.325 0.000 1.149 10 I HN 0.903 9.113 8.210 -0.000 0.000 0.443 11 G N -1.014 107.667 108.800 -0.199 0.000 2.324 11 G HA2 0.258 4.217 3.960 -0.002 0.000 0.293 11 G HA3 0.258 4.217 3.960 -0.002 0.000 0.293 11 G C -1.135 173.727 174.900 -0.063 0.000 1.297 11 G CA -0.185 44.902 45.100 -0.021 0.000 0.853 11 G HN 0.016 8.306 8.290 -0.000 0.000 0.535 12 S N -0.706 114.991 115.700 -0.006 0.000 2.579 12 S HA 0.492 4.961 4.470 -0.002 0.000 0.275 12 S C 1.770 176.361 174.600 -0.014 0.000 1.345 12 S CA 0.940 59.114 58.200 -0.043 0.000 1.031 12 S CB 1.005 64.180 63.200 -0.041 0.000 0.892 12 S HN 2.035 10.345 8.310 -0.000 0.000 0.529 13 A N 2.745 125.549 122.820 -0.026 0.000 2.239 13 A HA 0.086 4.405 4.320 -0.002 0.000 0.209 13 A C 1.665 179.245 177.584 -0.007 0.000 1.171 13 A CA 0.929 52.964 52.037 -0.004 0.000 0.768 13 A CB -0.449 18.555 19.000 0.007 0.000 0.790 13 A HN 0.936 9.086 8.150 -0.000 0.000 0.478 14 E N -0.473 119.709 120.200 -0.030 0.000 2.162 14 E HA -0.057 4.292 4.350 -0.002 0.000 0.193 14 E C 1.618 178.153 176.600 -0.108 0.000 0.953 14 E CA 0.548 56.916 56.400 -0.053 0.000 0.849 14 E CB -0.090 29.578 29.700 -0.054 0.000 0.810 14 E HN 0.716 9.076 8.360 -0.000 0.000 0.470 15 E N 0.393 120.497 120.200 -0.159 0.000 2.012 15 E HA -0.146 4.203 4.350 -0.002 0.000 0.197 15 E C 0.157 176.420 176.600 -0.561 0.000 1.007 15 E CA 1.318 57.470 56.400 -0.414 0.000 0.816 15 E CB -0.078 29.322 29.700 -0.500 0.000 0.762 15 E HN 0.168 8.527 8.360 -0.000 0.000 0.451 16 Y N -0.840 119.430 120.300 -0.050 0.000 2.650 16 Y HA 0.458 5.007 4.550 -0.002 0.000 0.331 16 Y C -0.076 175.801 175.900 -0.037 0.000 1.082 16 Y CA -1.319 56.756 58.100 -0.043 0.000 1.171 16 Y CB 0.954 39.383 38.460 -0.051 0.000 1.326 16 Y HN -0.287 7.993 8.280 -0.000 0.000 0.513 17 V N 1.123 121.129 119.914 0.153 0.000 2.435 17 V HA 0.250 4.369 4.120 -0.002 0.000 0.290 17 V C -0.155 175.976 176.094 0.062 0.000 1.030 17 V CA -1.575 60.770 62.300 0.077 0.000 0.881 17 V CB 1.428 33.282 31.823 0.052 0.000 0.983 17 V HN 0.592 8.782 8.190 -0.000 0.000 0.445 18 K N 3.112 123.539 120.400 0.044 0.000 2.395 18 K HA 0.283 4.602 4.320 -0.002 0.000 0.283 18 K C 0.525 177.144 176.600 0.031 0.000 1.068 18 K CA 0.366 56.673 56.287 0.034 0.000 1.039 18 K CB 0.057 32.585 32.500 0.046 0.000 0.924 18 K HN 0.944 9.194 8.250 -0.000 0.000 0.468 19 G N 3.366 112.177 108.800 0.019 0.000 3.008 19 G HA2 0.178 4.137 3.960 -0.002 0.000 0.181 19 G HA3 0.178 4.137 3.960 -0.002 0.000 0.181 19 G C -0.937 173.975 174.900 0.020 0.000 1.309 19 G CA -0.590 44.520 45.100 0.017 0.000 1.009 19 G HN 0.655 8.945 8.290 -0.000 0.000 0.584 20 E N -0.153 120.055 120.200 0.014 0.000 2.373 20 E HA 0.376 4.725 4.350 -0.002 0.000 0.267 20 E C 0.923 177.533 176.600 0.016 0.000 1.032 20 E CA 0.735 57.146 56.400 0.018 0.000 0.889 20 E CB 0.923 30.630 29.700 0.012 0.000 0.984 20 E HN 0.968 9.328 8.360 -0.000 0.000 0.425 21 G N 1.569 110.387 108.800 0.030 0.000 2.155 21 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.257 21 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.257 21 G C 0.025 174.955 174.900 0.051 0.000 0.983 21 G CA 0.325 45.445 45.100 0.034 0.000 0.676 21 G HN 0.354 8.644 8.290 -0.000 0.000 0.528 22 V N 0.115 120.067 119.914 0.063 0.000 2.876 22 V HA 0.802 4.921 4.120 -0.002 0.000 0.312 22 V C -0.232 175.954 176.094 0.153 0.000 1.085 22 V CA -0.730 61.607 62.300 0.060 0.000 0.945 22 V CB 1.938 33.752 31.823 -0.014 0.000 1.017 22 V HN 0.773 8.963 8.190 -0.000 0.000 0.428 23 Y N 0.504 120.850 120.300 0.078 0.000 2.576 23 Y HA 0.852 5.402 4.550 -0.000 0.000 0.346 23 Y C -0.620 175.370 175.900 0.149 0.000 1.018 23 Y CA -1.205 56.947 58.100 0.086 0.000 1.050 23 Y CB 1.708 40.205 38.460 0.062 0.000 1.280 23 Y HN 0.705 8.985 8.280 -0.000 0.000 0.474 24 E N 1.724 122.109 120.200 0.309 0.000 2.227 24 E HA 0.536 4.885 4.350 -0.002 0.000 0.268 24 E C -1.683 175.111 176.600 0.323 0.000 0.907 24 E CA -0.767 55.765 56.400 0.220 0.000 0.786 24 E CB 1.892 31.670 29.700 0.130 0.000 1.191 24 E HN 0.823 9.183 8.360 -0.000 0.000 0.411 25 E N 2.441 122.821 120.200 0.300 0.000 2.451 25 E HA 0.346 4.695 4.350 -0.002 0.000 0.295 25 E C -0.447 176.298 176.600 0.241 0.000 0.966 25 E CA 0.132 56.690 56.400 0.263 0.000 0.808 25 E CB 0.934 30.810 29.700 0.293 0.000 1.242 25 E HN 0.781 9.141 8.360 -0.000 0.000 0.412 26 G N 2.595 111.484 108.800 0.149 0.000 2.225 26 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.267 26 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.267 26 G C 0.927 175.887 174.900 0.101 0.000 1.024 26 G CA 0.858 46.030 45.100 0.120 0.000 0.784 26 G HN 1.718 10.008 8.290 -0.000 0.000 0.507 27 G N -1.616 107.236 108.800 0.087 0.000 2.153 27 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.252 27 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.252 27 G C -0.000 174.912 174.900 0.020 0.000 0.994 27 G CA 1.112 46.241 45.100 0.048 0.000 0.698 27 G HN 1.130 9.420 8.290 -0.000 0.000 0.521 28 E N -0.761 119.459 120.200 0.033 0.000 2.288 28 E HA 0.632 4.981 4.350 -0.002 0.000 0.268 28 E C -0.081 176.382 176.600 -0.228 0.000 0.885 28 E CA -0.974 55.344 56.400 -0.136 0.000 0.767 28 E CB 1.887 31.451 29.700 -0.227 0.000 1.220 28 E HN 0.174 8.534 8.360 -0.000 0.000 0.427 29 L N 2.777 123.771 121.223 -0.382 0.000 2.307 29 L HA 0.514 4.853 4.340 -0.002 0.000 0.282 29 L C -0.781 175.673 176.870 -0.693 0.000 1.051 29 L CA -0.389 54.240 54.840 -0.353 0.000 0.804 29 L CB 0.305 42.249 42.059 -0.192 0.000 1.197 29 L HN 0.445 8.675 8.230 -0.000 0.000 0.431 30 F N 0.574 120.209 119.950 -0.526 0.000 2.640 30 F HA 0.685 5.210 4.527 -0.002 0.000 0.324 30 F C 0.283 175.832 175.800 -0.418 0.000 1.077 30 F CA -0.855 56.818 58.000 -0.544 0.000 0.965 30 F CB 1.583 40.077 39.000 -0.844 0.000 1.351 30 F HN 0.364 8.664 8.300 -0.000 0.000 0.487 31 A N 0.194 123.007 122.820 -0.012 0.000 2.301 31 A HA 0.684 5.003 4.320 -0.002 0.000 0.298 31 A C 0.312 177.988 177.584 0.152 0.000 1.185 31 A CA 0.180 52.224 52.037 0.012 0.000 0.830 31 A CB 0.643 19.613 19.000 -0.050 0.000 1.112 31 A HN 0.974 9.124 8.150 -0.000 0.000 0.508 32 A N 2.164 125.103 122.820 0.198 0.000 2.115 32 A HA 0.458 4.777 4.320 -0.002 0.000 0.211 32 A C 0.803 178.442 177.584 0.092 0.000 1.169 32 A CA 1.160 53.340 52.037 0.237 0.000 0.787 32 A CB -0.343 18.810 19.000 0.254 0.000 0.858 32 A HN 1.835 9.985 8.150 -0.000 0.000 0.474 33 V N -4.177 115.764 119.914 0.046 0.000 3.040 33 V HA 0.886 5.005 4.120 -0.002 0.000 0.312 33 V C -0.045 176.026 176.094 -0.038 0.000 1.115 33 V CA -0.969 61.338 62.300 0.011 0.000 0.998 33 V CB 1.035 32.867 31.823 0.014 0.000 1.042 33 V HN 0.588 8.778 8.190 -0.000 0.000 0.433 34 A N 1.215 124.014 122.820 -0.036 0.000 2.371 34 A HA 0.973 5.292 4.320 -0.002 0.000 0.257 34 A C 0.716 178.268 177.584 -0.054 0.000 1.089 34 A CA 0.459 52.438 52.037 -0.096 0.000 0.794 34 A CB 0.273 19.293 19.000 0.034 0.000 1.029 34 A HN 2.759 10.909 8.150 -0.000 0.000 0.488 35 G N 0.326 109.051 108.800 -0.124 0.000 2.362 35 G HA2 0.285 4.244 3.960 -0.002 0.000 0.288 35 G HA3 0.285 4.244 3.960 -0.002 0.000 0.288 35 G C -0.910 173.973 174.900 -0.029 0.000 1.305 35 G CA -0.508 44.595 45.100 0.006 0.000 0.910 35 G HN 0.821 9.111 8.290 -0.000 0.000 0.518 36 K N 0.536 120.954 120.400 0.030 0.000 2.312 36 K HA 0.401 4.720 4.320 -0.002 0.000 0.287 36 K C 0.104 176.686 176.600 -0.031 0.000 1.062 36 K CA -0.559 55.741 56.287 0.022 0.000 0.934 36 K CB 0.602 33.126 32.500 0.039 0.000 1.027 36 K HN 0.494 8.744 8.250 -0.000 0.000 0.478 37 L N 7.062 128.250 121.223 -0.058 0.000 2.369 37 L HA 0.187 4.526 4.340 -0.002 0.000 0.279 37 L C -0.715 176.113 176.870 -0.070 0.000 1.108 37 L CA -0.369 54.419 54.840 -0.087 0.000 0.852 37 L CB 0.309 42.295 42.059 -0.122 0.000 1.169 37 L HN 0.611 8.841 8.230 -0.000 0.000 0.452 38 I N 6.739 127.270 120.570 -0.066 0.000 2.441 38 I HA 0.358 4.527 4.170 -0.002 0.000 0.295 38 I C 0.042 176.119 176.117 -0.067 0.000 0.994 38 I CA -0.478 60.793 61.300 -0.050 0.000 1.144 38 I CB 1.915 39.899 38.000 -0.027 0.000 1.314 38 I HN 0.534 8.744 8.210 -0.000 0.000 0.445 39 I N 6.040 126.577 120.570 -0.056 0.000 2.495 39 I HA 0.253 4.421 4.170 -0.002 0.000 0.277 39 I C -0.022 176.101 176.117 0.009 0.000 1.045 39 I CA -0.547 60.726 61.300 -0.046 0.000 1.135 39 I CB 1.166 39.116 38.000 -0.084 0.000 1.241 39 I HN 0.439 8.649 8.210 -0.000 0.000 0.469 40 K N 6.584 126.994 120.400 0.016 0.000 2.293 40 K HA 0.200 4.519 4.320 -0.002 0.000 0.267 40 K C -0.653 175.970 176.600 0.039 0.000 1.010 40 K CA -0.313 55.989 56.287 0.024 0.000 0.875 40 K CB 0.770 33.278 32.500 0.014 0.000 1.106 40 K HN 0.434 8.684 8.250 -0.000 0.000 0.450 41 D N 4.248 124.673 120.400 0.042 0.000 2.904 41 D HA -0.211 4.428 4.640 -0.002 0.000 0.231 41 D C 0.285 176.619 176.300 0.057 0.000 1.185 41 D CA 1.122 55.146 54.000 0.040 0.000 0.783 41 D CB -0.557 40.257 40.800 0.024 0.000 0.961 41 D HN 0.972 9.342 8.370 -0.000 0.000 0.409 42 R N -1.943 118.616 120.500 0.097 0.000 4.010 42 R HA -0.280 4.059 4.340 -0.002 0.000 0.409 42 R C -0.461 175.955 176.300 0.193 0.000 1.120 42 R CA 1.404 57.589 56.100 0.141 0.000 1.244 42 R CB -1.117 29.199 30.300 0.026 0.000 1.799 42 R HN 0.232 8.502 8.270 -0.000 0.000 0.559 43 V N 1.363 121.349 119.914 0.120 0.000 2.333 43 V HA 0.559 4.678 4.120 -0.002 0.000 0.274 43 V C 0.529 176.644 176.094 0.035 0.000 1.028 43 V CA 0.102 62.449 62.300 0.079 0.000 0.851 43 V CB 1.328 33.176 31.823 0.042 0.000 1.000 43 V HN 0.293 8.483 8.190 -0.000 0.000 0.456 44 A N 6.356 129.175 122.820 -0.001 0.000 2.269 44 A HA 0.731 5.050 4.320 -0.002 0.000 0.302 44 A C 0.041 177.578 177.584 -0.078 0.000 1.266 44 A CA -0.528 51.438 52.037 -0.118 0.000 0.894 44 A CB 0.325 19.152 19.000 -0.288 0.000 1.147 44 A HN 0.943 9.093 8.150 -0.000 0.000 0.537 45 K N 0.731 121.089 120.400 -0.071 0.000 2.444 45 K HA 0.818 5.137 4.320 -0.002 0.000 0.252 45 K C -1.576 174.991 176.600 -0.055 0.000 0.993 45 K CA -0.821 55.439 56.287 -0.045 0.000 0.847 45 K CB 2.083 34.571 32.500 -0.020 0.000 1.340 45 K HN 0.226 8.476 8.250 -0.000 0.000 0.446 46 V N 1.411 121.301 119.914 -0.039 0.000 2.487 46 V HA 0.245 4.364 4.120 -0.002 0.000 0.298 46 V C -0.807 175.275 176.094 -0.020 0.000 1.028 46 V CA -0.818 61.456 62.300 -0.043 0.000 0.860 46 V CB 1.503 33.294 31.823 -0.053 0.000 0.991 46 V HN 0.792 8.982 8.190 -0.000 0.000 0.427 47 E N 2.417 122.608 120.200 -0.014 0.000 2.070 47 E HA 0.210 4.559 4.350 -0.002 0.000 0.282 47 E C 0.070 176.676 176.600 0.009 0.000 1.104 47 E CA -0.045 56.356 56.400 0.001 0.000 0.876 47 E CB 1.193 30.897 29.700 0.008 0.000 1.055 47 E HN 0.624 8.984 8.360 -0.000 0.000 0.401 48 S N 3.548 119.255 115.700 0.011 0.000 2.549 48 S HA -0.006 4.463 4.470 -0.002 0.000 0.286 48 S C 1.453 176.072 174.600 0.033 0.000 1.314 48 S CA -0.818 57.394 58.200 0.019 0.000 1.062 48 S CB 0.333 63.544 63.200 0.018 0.000 0.865 48 S HN 0.555 8.865 8.310 -0.000 0.000 0.498 49 I N 2.536 123.135 120.570 0.049 0.000 3.334 49 I HA 0.196 4.365 4.170 -0.002 0.000 0.282 49 I C 0.615 176.757 176.117 0.041 0.000 1.313 49 I CA 0.611 61.946 61.300 0.058 0.000 1.396 49 I CB -1.284 36.770 38.000 0.090 0.000 1.054 49 I HN 0.472 8.682 8.210 -0.000 0.000 0.495 50 S N 3.272 118.992 115.700 0.033 0.000 2.777 50 S HA 0.358 4.827 4.470 -0.002 0.000 0.140 50 S C -2.677 171.936 174.600 0.022 0.000 1.233 50 S CA -0.725 57.490 58.200 0.026 0.000 1.157 50 S CB 0.415 63.631 63.200 0.027 0.000 1.600 50 S HN 0.216 8.526 8.310 -0.000 0.000 0.432 51 P HA 0.235 4.655 4.420 -0.000 0.000 0.268 51 P C -0.600 176.711 177.300 0.018 0.000 1.204 51 P CA -0.128 62.983 63.100 0.018 0.000 0.768 51 P CB 0.477 32.187 31.700 0.016 0.000 0.842 52 I N 5.774 126.355 120.570 0.018 0.000 2.287 52 I HA 0.185 4.354 4.170 -0.002 0.000 0.290 52 I C -1.439 174.690 176.117 0.020 0.000 1.069 52 I CA -2.317 58.994 61.300 0.018 0.000 1.237 52 I CB 0.842 38.852 38.000 0.016 0.000 1.418 52 I HN 0.217 8.427 8.210 -0.000 0.000 0.481 53 P HA -0.005 4.415 4.420 -0.000 0.000 0.267 53 P C -0.641 176.674 177.300 0.026 0.000 1.201 53 P CA 0.081 63.196 63.100 0.026 0.000 0.775 53 P CB 1.162 32.882 31.700 0.033 0.000 0.854 54 E N 1.912 122.127 120.200 0.025 0.000 2.246 54 E HA 0.338 4.687 4.350 -0.002 0.000 0.266 54 E C -0.530 176.086 176.600 0.027 0.000 0.880 54 E CA -0.848 55.566 56.400 0.023 0.000 0.762 54 E CB 1.251 30.963 29.700 0.019 0.000 1.180 54 E HN 0.355 8.715 8.360 -0.000 0.000 0.416 55 I N 4.820 125.408 120.570 0.029 0.000 2.533 55 I HA 0.100 4.269 4.170 -0.002 0.000 0.284 55 I C 0.237 176.368 176.117 0.024 0.000 1.109 55 I CA -0.076 61.243 61.300 0.032 0.000 1.412 55 I CB 0.470 38.489 38.000 0.032 0.000 1.396 55 I HN 0.270 8.480 8.210 -0.000 0.000 0.543 56 V N 3.001 122.930 119.914 0.025 0.000 3.130 56 V HA 0.458 4.577 4.120 -0.002 0.000 0.310 56 V C -0.204 175.901 176.094 0.019 0.000 1.158 56 V CA -1.405 60.907 62.300 0.019 0.000 1.029 56 V CB 1.712 33.545 31.823 0.017 0.000 1.057 56 V HN 0.722 8.912 8.190 -0.000 0.000 0.436 57 K N 0.916 121.325 120.400 0.014 0.000 2.504 57 K HA 0.340 4.659 4.320 -0.002 0.000 0.278 57 K C 1.175 177.785 176.600 0.016 0.000 1.025 57 K CA 1.613 57.908 56.287 0.014 0.000 1.093 57 K CB -0.211 32.295 32.500 0.009 0.000 0.873 57 K HN 1.945 10.195 8.250 -0.000 0.000 0.483 58 G N 3.291 112.102 108.800 0.020 0.000 2.259 58 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.217 58 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.217 58 G C -0.402 174.514 174.900 0.027 0.000 1.001 58 G CA 0.024 45.137 45.100 0.021 0.000 0.627 58 G HN 0.702 8.992 8.290 -0.000 0.000 0.501 59 D N 0.768 121.188 120.400 0.033 0.000 2.372 59 D HA 0.469 5.108 4.640 -0.002 0.000 0.243 59 D C 0.632 176.973 176.300 0.068 0.000 1.121 59 D CA -0.008 54.019 54.000 0.045 0.000 0.898 59 D CB 1.865 42.694 40.800 0.050 0.000 1.202 59 D HN 0.172 8.542 8.370 -0.000 0.000 0.428 60 V N 2.328 122.295 119.914 0.087 0.000 2.465 60 V HA 0.275 4.394 4.120 -0.002 0.000 0.279 60 V C 0.542 176.789 176.094 0.254 0.000 1.045 60 V CA -0.438 61.949 62.300 0.143 0.000 0.938 60 V CB 1.608 33.506 31.823 0.125 0.000 0.986 60 V HN 0.224 8.414 8.190 -0.000 0.000 0.467 61 V N 5.373 125.431 119.914 0.241 0.000 2.960 61 V HA 0.566 4.685 4.120 -0.002 0.000 0.315 61 V C -0.661 175.460 176.094 0.043 0.000 1.087 61 V CA -0.810 61.614 62.300 0.207 0.000 0.982 61 V CB 2.236 34.108 31.823 0.082 0.000 1.039 61 V HN 0.692 8.882 8.190 -0.000 0.000 0.437 62 L N 2.480 123.530 121.223 -0.288 0.000 2.333 62 L HA 0.966 5.305 4.340 -0.002 0.000 0.280 62 L C 0.056 176.713 176.870 -0.355 0.000 1.004 62 L CA 0.558 55.008 54.840 -0.650 0.000 0.820 62 L CB 1.347 42.459 42.059 -1.578 0.000 1.247 62 L HN 0.784 9.014 8.230 -0.000 0.000 0.416 63 G N 3.750 112.395 108.800 -0.258 0.000 2.682 63 G HA2 0.579 4.538 3.960 -0.002 0.000 0.290 63 G HA3 0.579 4.538 3.960 -0.002 0.000 0.290 63 G C -1.971 172.846 174.900 -0.139 0.000 1.425 63 G CA -0.930 44.071 45.100 -0.165 0.000 0.807 63 G HN 0.671 8.961 8.290 -0.000 0.000 0.482 64 R N -0.107 120.331 120.500 -0.104 0.000 2.599 64 R HA 0.565 4.904 4.340 -0.002 0.000 0.295 64 R C -0.995 175.270 176.300 -0.059 0.000 0.963 64 R CA -0.573 55.470 56.100 -0.095 0.000 0.883 64 R CB 2.049 32.282 30.300 -0.110 0.000 1.171 64 R HN 0.313 8.583 8.270 -0.000 0.000 0.450 65 V N 6.404 126.287 119.914 -0.050 0.000 2.390 65 V HA 0.003 4.122 4.120 -0.002 0.000 0.260 65 V C 1.323 177.432 176.094 0.025 0.000 1.043 65 V CA 0.023 62.325 62.300 0.004 0.000 1.047 65 V CB 0.731 32.572 31.823 0.029 0.000 1.066 65 V HN 0.761 8.951 8.190 -0.000 0.000 0.481 66 V N 0.308 120.266 119.914 0.072 0.000 3.354 66 V HA 0.351 4.470 4.120 -0.002 0.000 0.258 66 V C 0.432 176.699 176.094 0.288 0.000 1.159 66 V CA 0.641 63.029 62.300 0.148 0.000 1.125 66 V CB 0.207 32.078 31.823 0.080 0.000 0.774 66 V HN 0.765 8.955 8.190 -0.000 0.000 0.464 67 D N -0.045 120.472 120.400 0.196 0.000 2.931 67 D HA 0.360 4.998 4.640 -0.002 0.000 0.215 67 D C -1.192 175.154 176.300 0.076 0.000 1.297 67 D CA -0.307 53.761 54.000 0.114 0.000 0.892 67 D CB 1.748 42.581 40.800 0.054 0.000 1.642 67 D HN 0.176 8.546 8.370 -0.000 0.000 0.560 68 L N 4.186 125.431 121.223 0.035 0.000 2.360 68 L HA 0.461 4.800 4.340 -0.002 0.000 0.265 68 L C 0.349 177.211 176.870 -0.012 0.000 1.066 68 L CA -0.466 54.387 54.840 0.023 0.000 0.929 68 L CB 0.456 42.534 42.059 0.031 0.000 1.306 68 L HN 0.092 8.322 8.230 -0.000 0.000 0.434 69 R N 1.652 122.149 120.500 -0.005 0.000 2.229 69 R HA 0.163 4.502 4.340 -0.002 0.000 0.328 69 R C 0.102 176.389 176.300 -0.022 0.000 1.009 69 R CA -0.836 55.253 56.100 -0.017 0.000 0.864 69 R CB 0.765 31.060 30.300 -0.009 0.000 1.085 69 R HN 0.344 8.614 8.270 -0.000 0.000 0.453 70 N N 1.827 120.508 118.700 -0.032 0.000 1.691 70 N HA -0.297 4.442 4.740 -0.002 0.000 0.344 70 N C 0.155 175.628 175.510 -0.061 0.000 1.264 70 N CA 1.686 54.710 53.050 -0.043 0.000 0.780 70 N CB 0.300 38.762 38.487 -0.043 0.000 1.003 70 N HN 0.778 9.158 8.380 -0.000 0.000 0.515 71 S N 0.393 116.050 115.700 -0.073 0.000 3.257 71 S HA -0.234 4.235 4.470 -0.002 0.000 0.300 71 S C 0.092 174.607 174.600 -0.141 0.000 1.275 71 S CA 0.956 59.086 58.200 -0.118 0.000 1.023 71 S CB -1.838 61.269 63.200 -0.155 0.000 1.180 71 S HN 0.573 8.883 8.310 -0.000 0.000 0.660 72 I N 1.140 121.679 120.570 -0.052 0.000 2.686 72 I HA 0.765 4.934 4.170 -0.002 0.000 0.295 72 I C -0.179 175.968 176.117 0.050 0.000 1.114 72 I CA -0.184 61.132 61.300 0.027 0.000 1.038 72 I CB 2.066 40.089 38.000 0.037 0.000 1.238 72 I HN 0.541 8.751 8.210 -0.000 0.000 0.420 73 A N 7.822 130.693 122.820 0.084 0.000 2.410 73 A HA 0.642 4.961 4.320 -0.002 0.000 0.289 73 A C -1.096 176.526 177.584 0.062 0.000 1.200 73 A CA -0.497 51.579 52.037 0.065 0.000 0.751 73 A CB 0.738 19.773 19.000 0.058 0.000 1.161 73 A HN 0.591 8.741 8.150 -0.000 0.000 0.459 74 L N 4.348 125.604 121.223 0.056 0.000 2.283 74 L HA 0.307 4.646 4.340 -0.002 0.000 0.287 74 L C -0.533 176.359 176.870 0.036 0.000 1.073 74 L CA -0.464 54.403 54.840 0.044 0.000 0.822 74 L CB 0.416 42.501 42.059 0.043 0.000 1.186 74 L HN 0.483 8.713 8.230 -0.000 0.000 0.436 75 I N 3.037 123.619 120.570 0.020 0.000 2.353 75 I HA 0.135 4.304 4.170 -0.002 0.000 0.293 75 I C 0.645 176.756 176.117 -0.009 0.000 0.992 75 I CA -0.243 61.058 61.300 0.002 0.000 1.268 75 I CB 1.414 39.410 38.000 -0.006 0.000 1.387 75 I HN 0.658 8.868 8.210 -0.000 0.000 0.478 76 E N 6.008 126.194 120.200 -0.022 0.000 1.892 76 E HA 0.226 4.575 4.350 -0.002 0.000 0.271 76 E C -0.855 175.716 176.600 -0.049 0.000 1.146 76 E CA -0.358 56.025 56.400 -0.029 0.000 1.096 76 E CB 0.399 30.079 29.700 -0.033 0.000 1.155 76 E HN 0.402 8.762 8.360 -0.000 0.000 0.458 77 V N 3.257 123.147 119.914 -0.040 0.000 2.557 77 V HA -0.088 4.031 4.120 -0.002 0.000 0.301 77 V C 1.260 177.326 176.094 -0.047 0.000 1.026 77 V CA 1.161 63.432 62.300 -0.048 0.000 1.137 77 V CB 1.026 32.834 31.823 -0.024 0.000 0.917 77 V HN 0.735 8.925 8.190 -0.000 0.000 0.484 78 S N 1.949 117.607 115.700 -0.070 0.000 2.727 78 S HA 0.242 4.711 4.470 -0.002 0.000 0.249 78 S C 0.534 175.122 174.600 -0.021 0.000 1.079 78 S CA -0.131 58.039 58.200 -0.050 0.000 0.912 78 S CB 0.634 63.792 63.200 -0.070 0.000 0.861 78 S HN 0.548 8.858 8.310 -0.000 0.000 0.484 79 S N 1.119 116.800 115.700 -0.032 0.000 2.542 79 S HA 0.597 5.066 4.470 -0.002 0.000 0.293 79 S C -1.226 173.510 174.600 0.226 0.000 1.089 79 S CA -0.791 57.466 58.200 0.096 0.000 0.961 79 S CB 2.138 65.430 63.200 0.153 0.000 1.062 79 S HN 0.454 8.764 8.310 -0.000 0.000 0.483 80 K N 2.166 122.728 120.400 0.270 0.000 2.265 80 K HA 0.302 4.621 4.320 -0.002 0.000 0.267 80 K C -0.372 176.388 176.600 0.267 0.000 0.994 80 K CA -0.606 55.834 56.287 0.254 0.000 0.860 80 K CB 0.786 33.360 32.500 0.124 0.000 1.099 80 K HN 0.548 8.798 8.250 -0.000 0.000 0.448 81 K N 2.653 123.188 120.400 0.225 0.000 2.524 81 K HA -0.028 4.291 4.320 -0.002 0.000 0.279 81 K C 0.591 177.090 176.600 -0.168 0.000 0.993 81 K CA 1.696 57.807 56.287 -0.293 0.000 1.030 81 K CB 0.146 32.411 32.500 -0.392 0.000 0.891 81 K HN 0.908 9.158 8.250 -0.000 0.000 0.488 82 G N 2.788 111.451 108.800 -0.228 0.000 2.213 82 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.226 82 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.226 82 G C -0.480 174.381 174.900 -0.066 0.000 0.992 82 G CA 0.135 45.158 45.100 -0.128 0.000 0.632 82 G HN 0.625 8.915 8.290 -0.000 0.000 0.511 83 E N -0.650 119.532 120.200 -0.030 0.000 2.321 83 E HA 0.380 4.729 4.350 -0.002 0.000 0.278 83 E C 0.308 176.934 176.600 0.043 0.000 0.902 83 E CA -0.627 55.778 56.400 0.008 0.000 0.758 83 E CB 1.235 30.947 29.700 0.020 0.000 1.213 83 E HN 0.211 8.571 8.360 -0.000 0.000 0.426 84 N N 0.864 119.586 118.700 0.037 0.000 2.376 84 N HA -0.045 4.694 4.740 -0.002 0.000 0.177 84 N C 0.554 176.097 175.510 0.055 0.000 1.024 84 N CA -0.015 53.069 53.050 0.057 0.000 0.893 84 N CB 0.284 38.795 38.487 0.039 0.000 0.980 84 N HN 0.082 8.462 8.380 -0.000 0.000 0.439 85 R N 1.987 122.512 120.500 0.041 0.000 2.570 85 R HA 0.075 4.414 4.340 -0.002 0.000 0.277 85 R C 0.069 176.393 176.300 0.041 0.000 1.039 85 R CA -0.093 56.028 56.100 0.035 0.000 1.065 85 R CB 0.083 30.399 30.300 0.027 0.000 0.964 85 R HN 0.020 8.290 8.270 -0.000 0.000 0.428 86 G N 6.734 115.554 108.800 0.034 0.000 2.299 86 G HA2 0.141 4.100 3.960 -0.002 0.000 0.256 86 G HA3 0.141 4.100 3.960 -0.002 0.000 0.256 86 G C -2.077 172.841 174.900 0.029 0.000 1.259 86 G CA -0.863 44.256 45.100 0.031 0.000 0.943 86 G HN 0.633 8.923 8.290 -0.000 0.000 0.479 87 P HA 0.032 4.452 4.420 -0.000 0.000 0.269 87 P C 1.114 178.426 177.300 0.020 0.000 1.209 87 P CA -0.065 63.054 63.100 0.030 0.000 0.776 87 P CB 1.331 33.054 31.700 0.038 0.000 0.876 88 S N 1.652 117.363 115.700 0.018 0.000 2.382 88 S HA -0.150 4.319 4.470 -0.002 0.000 0.228 88 S C 1.055 175.661 174.600 0.010 0.000 1.027 88 S CA 0.834 59.041 58.200 0.012 0.000 0.991 88 S CB -0.959 62.248 63.200 0.012 0.000 0.823 88 S HN 0.662 8.972 8.310 -0.000 0.000 0.469 89 N N 1.824 120.532 118.700 0.012 0.000 3.131 89 N HA 0.214 4.953 4.740 -0.002 0.000 0.312 89 N C -0.686 174.829 175.510 0.009 0.000 1.433 89 N CA -0.380 52.676 53.050 0.010 0.000 1.141 89 N CB -0.082 38.411 38.487 0.010 0.000 1.431 89 N HN 0.368 8.748 8.380 -0.000 0.000 0.523 90 R N -0.276 120.228 120.500 0.007 0.000 2.500 90 R HA 0.719 5.057 4.340 -0.002 0.000 0.275 90 R C 0.528 176.828 176.300 -0.000 0.000 1.051 90 R CA -0.148 55.953 56.100 0.003 0.000 1.088 90 R CB 1.210 31.511 30.300 0.001 0.000 1.063 90 R HN 0.531 8.801 8.270 -0.000 0.000 0.511 91 G N 1.108 109.906 108.800 -0.004 0.000 2.367 91 G HA2 0.156 4.115 3.960 -0.002 0.000 0.272 91 G HA3 0.156 4.115 3.960 -0.002 0.000 0.272 91 G C -1.625 173.272 174.900 -0.005 0.000 1.271 91 G CA -0.972 44.126 45.100 -0.003 0.000 0.893 91 G HN 0.315 8.605 8.290 -0.000 0.000 0.485 92 I N 1.798 122.367 120.570 -0.001 0.000 2.428 92 I HA 0.588 4.757 4.170 -0.002 0.000 0.289 92 I C 1.134 177.251 176.117 -0.000 0.000 1.019 92 I CA 0.408 61.709 61.300 0.001 0.000 1.351 92 I CB 1.251 39.255 38.000 0.008 0.000 1.412 92 I HN 0.809 9.019 8.210 -0.000 0.000 0.513 93 G N 5.718 114.517 108.800 -0.001 0.000 2.597 93 G HA2 0.838 4.797 3.960 -0.002 0.000 0.317 93 G HA3 0.838 4.797 3.960 -0.002 0.000 0.317 93 G C -0.896 174.004 174.900 -0.001 0.000 1.230 93 G CA -0.581 44.516 45.100 -0.005 0.000 0.996 93 G HN 0.448 8.738 8.290 -0.000 0.000 0.490 94 I N 0.028 120.590 120.570 -0.014 0.000 2.608 94 I HA 0.423 4.592 4.170 -0.002 0.000 0.295 94 I C -0.963 175.147 176.117 -0.012 0.000 1.049 94 I CA -0.679 60.617 61.300 -0.008 0.000 1.063 94 I CB 2.437 40.413 38.000 -0.041 0.000 1.248 94 I HN 0.109 8.319 8.210 -0.000 0.000 0.424 95 L N 6.109 127.360 121.223 0.045 0.000 2.372 95 L HA 0.494 4.833 4.340 -0.002 0.000 0.274 95 L C -0.893 176.081 176.870 0.173 0.000 0.988 95 L CA -0.362 54.516 54.840 0.064 0.000 0.833 95 L CB 1.223 43.314 42.059 0.053 0.000 1.236 95 L HN 0.667 8.897 8.230 -0.000 0.000 0.410 96 H N 2.699 121.773 119.070 0.007 0.000 2.483 96 H HA 0.165 4.720 4.556 -0.002 0.000 0.338 96 H C 1.006 176.333 175.328 -0.001 0.000 1.152 96 H CA -0.970 55.080 56.048 0.003 0.000 1.264 96 H CB 2.533 32.298 29.762 0.005 0.000 1.510 96 H HN 0.476 8.756 8.280 -0.000 0.000 0.530 97 V N 1.644 121.589 119.914 0.051 0.000 2.453 97 V HA -0.302 3.817 4.120 -0.002 0.000 0.252 97 V C 2.171 178.278 176.094 0.021 0.000 1.068 97 V CA 2.204 64.504 62.300 0.000 0.000 1.070 97 V CB -0.703 31.081 31.823 -0.063 0.000 0.664 97 V HN 0.799 8.989 8.190 -0.000 0.000 0.461 98 S N 0.805 116.539 115.700 0.056 0.000 2.469 98 S HA -0.155 4.314 4.470 -0.002 0.000 0.238 98 S C 1.384 176.028 174.600 0.073 0.000 0.998 98 S CA 1.685 59.926 58.200 0.069 0.000 0.957 98 S CB -0.485 62.771 63.200 0.093 0.000 0.764 98 S HN 0.715 9.025 8.310 -0.000 0.000 0.514 99 N N 0.164 118.911 118.700 0.080 0.000 2.197 99 N HA 0.282 5.021 4.740 -0.002 0.000 0.201 99 N C 1.168 176.708 175.510 0.049 0.000 1.148 99 N CA 0.155 53.242 53.050 0.061 0.000 0.883 99 N CB 0.236 38.755 38.487 0.055 0.000 1.012 99 N HN 0.137 8.517 8.380 -0.000 0.000 0.507 100 V N 0.331 120.272 119.914 0.046 0.000 2.231 100 V HA -0.197 3.922 4.120 -0.002 0.000 0.248 100 V C 0.515 176.628 176.094 0.032 0.000 1.054 100 V CA 1.746 64.066 62.300 0.034 0.000 1.015 100 V CB -0.319 31.515 31.823 0.019 0.000 0.638 100 V HN 0.355 8.545 8.190 -0.000 0.000 0.444 101 D N -2.589 117.831 120.400 0.032 0.000 2.819 101 D HA 0.297 4.936 4.640 -0.002 0.000 0.232 101 D C 0.433 176.762 176.300 0.048 0.000 1.160 101 D CA -0.518 53.504 54.000 0.037 0.000 0.858 101 D CB 1.952 42.771 40.800 0.031 0.000 1.610 101 D HN 0.051 8.421 8.370 -0.000 0.000 0.481 102 E N 1.735 121.963 120.200 0.047 0.000 2.333 102 E HA 0.053 4.402 4.350 -0.002 0.000 0.198 102 E C 1.061 177.701 176.600 0.067 0.000 1.007 102 E CA 1.131 57.562 56.400 0.052 0.000 0.845 102 E CB -0.090 29.635 29.700 0.041 0.000 0.766 102 E HN 0.508 8.868 8.360 -0.000 0.000 0.507 103 G N -0.999 107.844 108.800 0.073 0.000 2.624 103 G HA2 0.072 4.031 3.960 -0.002 0.000 0.217 103 G HA3 0.072 4.031 3.960 -0.002 0.000 0.217 103 G C -1.143 173.864 174.900 0.179 0.000 1.506 103 G CA -0.356 44.805 45.100 0.102 0.000 1.072 103 G HN 0.187 8.477 8.290 -0.000 0.000 0.568 104 Y N -0.877 119.428 120.300 0.008 0.000 2.328 104 Y HA 0.577 5.126 4.550 -0.002 0.000 0.336 104 Y C -0.607 175.296 175.900 0.005 0.000 0.960 104 Y CA -1.255 56.849 58.100 0.006 0.000 1.134 104 Y CB 1.775 40.238 38.460 0.004 0.000 1.166 104 Y HN 0.323 8.603 8.280 -0.000 0.000 0.464 105 V N 7.063 126.807 119.914 -0.282 0.000 2.668 105 V HA 0.504 4.623 4.120 -0.002 0.000 0.304 105 V C -1.524 174.369 176.094 -0.335 0.000 1.071 105 V CA -0.823 61.335 62.300 -0.237 0.000 0.894 105 V CB 1.719 33.483 31.823 -0.098 0.000 1.008 105 V HN 0.774 8.964 8.190 -0.000 0.000 0.425 106 K N 5.123 125.355 120.400 -0.279 0.000 2.110 106 K HA 0.629 4.948 4.320 -0.002 0.000 0.263 106 K C -0.386 176.135 176.600 -0.131 0.000 0.975 106 K CA -0.464 55.686 56.287 -0.227 0.000 0.895 106 K CB 1.054 33.444 32.500 -0.184 0.000 1.060 106 K HN 0.852 9.102 8.250 -0.000 0.000 0.448 107 E N 0.294 120.429 120.200 -0.108 0.000 9.216 107 E HA -0.283 4.066 4.350 -0.002 0.000 0.459 107 E C 0.090 176.652 176.600 -0.063 0.000 1.406 107 E CA 0.574 56.930 56.400 -0.073 0.000 2.442 107 E CB -0.306 29.361 29.700 -0.056 0.000 1.033 107 E HN 0.658 9.018 8.360 -0.000 0.000 0.376 108 I N -0.212 120.333 120.570 -0.042 0.000 4.244 108 I HA -0.060 4.109 4.170 -0.002 0.000 0.318 108 I C 1.782 177.893 176.117 -0.010 0.000 1.282 108 I CA 0.216 61.501 61.300 -0.024 0.000 1.276 108 I CB 0.264 38.256 38.000 -0.014 0.000 1.183 108 I HN 0.295 8.505 8.210 -0.000 0.000 0.431 109 S N 1.068 116.762 115.700 -0.010 0.000 2.537 109 S HA -0.073 4.396 4.470 -0.002 0.000 0.240 109 S C 1.344 175.942 174.600 -0.004 0.000 0.981 109 S CA 0.795 58.995 58.200 0.001 0.000 0.948 109 S CB -0.224 62.974 63.200 -0.003 0.000 0.759 109 S HN 0.369 8.680 8.310 -0.000 0.000 0.531 110 E N 0.230 120.420 120.200 -0.016 0.000 2.489 110 E HA 0.270 4.619 4.350 -0.002 0.000 0.193 110 E C 1.272 177.862 176.600 -0.017 0.000 1.057 110 E CA 0.331 56.719 56.400 -0.020 0.000 0.866 110 E CB 0.391 30.070 29.700 -0.034 0.000 0.916 110 E HN 0.529 8.889 8.360 -0.000 0.000 0.500 111 A N -0.113 122.703 122.820 -0.008 0.000 1.704 111 A HA 0.155 4.473 4.320 -0.002 0.000 0.205 111 A C 0.452 178.044 177.584 0.012 0.000 1.837 111 A CA -0.113 51.922 52.037 -0.002 0.000 1.364 111 A CB 0.899 19.898 19.000 -0.002 0.000 1.377 111 A HN 0.020 8.170 8.150 -0.000 0.000 0.390 112 V N 1.888 121.813 119.914 0.019 0.000 2.334 112 V HA 0.619 4.738 4.120 -0.002 0.000 0.281 112 V C 0.554 176.673 176.094 0.043 0.000 1.016 112 V CA -0.117 62.202 62.300 0.031 0.000 0.832 112 V CB 0.806 32.649 31.823 0.034 0.000 0.999 112 V HN 0.520 8.710 8.190 -0.000 0.000 0.439 113 G N 2.645 111.474 108.800 0.048 0.000 2.412 113 G HA2 0.421 4.380 3.960 -0.002 0.000 0.318 113 G HA3 0.421 4.380 3.960 -0.002 0.000 0.318 113 G C -0.922 174.037 174.900 0.099 0.000 1.146 113 G CA -0.528 44.614 45.100 0.070 0.000 0.882 113 G HN 0.605 8.895 8.290 -0.000 0.000 0.501 114 Y N 1.717 122.018 120.300 0.001 0.000 2.632 114 Y HA 0.230 4.778 4.550 -0.002 0.000 0.329 114 Y C 1.014 176.914 175.900 -0.001 0.000 1.174 114 Y CA -0.101 57.998 58.100 -0.001 0.000 1.469 114 Y CB 0.625 39.083 38.460 -0.003 0.000 1.242 114 Y HN 0.523 8.803 8.280 -0.000 0.000 0.540 115 L N 2.978 123.873 121.223 -0.547 0.000 4.892 115 L HA -0.298 4.041 4.340 -0.002 0.000 0.403 115 L C -0.359 176.374 176.870 -0.227 0.000 0.913 115 L CA 1.205 55.730 54.840 -0.525 0.000 1.653 115 L CB -1.655 40.011 42.059 -0.655 0.000 1.780 115 L HN 0.694 8.924 8.230 -0.000 0.000 0.597 116 D N 0.472 120.799 120.400 -0.123 0.000 2.382 116 D HA 0.367 5.006 4.640 -0.002 0.000 0.240 116 D C 0.769 177.024 176.300 -0.074 0.000 1.146 116 D CA -0.009 53.956 54.000 -0.058 0.000 0.897 116 D CB 0.659 41.461 40.800 0.002 0.000 1.197 116 D HN 0.049 8.419 8.370 -0.000 0.000 0.432 117 I N 2.354 122.879 120.570 -0.076 0.000 2.315 117 I HA 0.203 4.372 4.170 -0.002 0.000 0.291 117 I C 0.020 176.084 176.117 -0.088 0.000 1.006 117 I CA -0.525 60.707 61.300 -0.115 0.000 1.265 117 I CB 0.630 38.537 38.000 -0.155 0.000 1.387 117 I HN 0.093 8.303 8.210 -0.000 0.000 0.475 118 L N 6.598 127.762 121.223 -0.099 0.000 2.322 118 L HA 0.503 4.842 4.340 -0.002 0.000 0.269 118 L C -0.002 176.810 176.870 -0.098 0.000 1.012 118 L CA -0.500 54.303 54.840 -0.062 0.000 0.815 118 L CB 1.515 43.554 42.059 -0.033 0.000 1.295 118 L HN 0.479 8.709 8.230 -0.000 0.000 0.438 119 K N 2.030 122.416 120.400 -0.024 0.000 2.559 119 K HA 0.821 5.140 4.320 -0.002 0.000 0.249 119 K C -1.590 175.047 176.600 0.061 0.000 0.958 119 K CA -0.341 55.962 56.287 0.026 0.000 0.901 119 K CB 1.228 33.796 32.500 0.113 0.000 1.124 119 K HN 0.712 8.962 8.250 -0.000 0.000 0.437 120 A N 3.580 126.433 122.820 0.055 0.000 2.435 120 A HA 0.650 4.969 4.320 -0.002 0.000 0.296 120 A C -1.293 176.336 177.584 0.074 0.000 1.147 120 A CA -0.944 51.127 52.037 0.056 0.000 0.775 120 A CB 1.454 20.473 19.000 0.031 0.000 1.340 120 A HN 0.781 8.931 8.150 -0.000 0.000 0.427 121 R N 0.872 121.408 120.500 0.059 0.000 2.445 121 R HA 0.570 4.909 4.340 -0.002 0.000 0.308 121 R C -1.410 174.913 176.300 0.039 0.000 0.961 121 R CA -0.439 55.696 56.100 0.057 0.000 0.862 121 R CB 1.274 31.604 30.300 0.050 0.000 1.144 121 R HN 0.508 8.778 8.270 -0.000 0.000 0.447 122 V N 6.782 126.718 119.914 0.038 0.000 2.521 122 V HA 0.055 4.174 4.120 -0.002 0.000 0.286 122 V C 0.882 176.987 176.094 0.017 0.000 1.034 122 V CA 0.078 62.392 62.300 0.024 0.000 1.045 122 V CB 0.854 32.692 31.823 0.025 0.000 0.974 122 V HN 0.780 8.970 8.190 -0.000 0.000 0.480 123 I N 1.153 121.728 120.570 0.008 0.000 4.338 123 I HA 0.721 4.890 4.170 -0.002 0.000 0.329 123 I C 0.663 176.779 176.117 -0.002 0.000 1.378 123 I CA -0.189 61.115 61.300 0.005 0.000 1.170 123 I CB 0.367 38.370 38.000 0.006 0.000 1.206 123 I HN 0.559 8.769 8.210 -0.000 0.000 0.432 124 G N -0.129 108.667 108.800 -0.007 0.000 2.733 124 G HA2 0.427 4.386 3.960 -0.002 0.000 0.297 124 G HA3 0.427 4.386 3.960 -0.002 0.000 0.297 124 G C -1.705 173.187 174.900 -0.013 0.000 1.452 124 G CA -0.690 44.402 45.100 -0.013 0.000 0.940 124 G HN -0.017 8.273 8.290 -0.000 0.000 0.547 125 D N 0.040 120.435 120.400 -0.008 0.000 2.429 125 D HA 0.098 4.737 4.640 -0.002 0.000 0.233 125 D C 1.092 177.385 176.300 -0.012 0.000 1.202 125 D CA 1.394 55.390 54.000 -0.006 0.000 0.879 125 D CB 0.249 41.047 40.800 -0.003 0.000 1.212 125 D HN 0.669 9.039 8.370 -0.000 0.000 0.465 126 N N -0.321 118.374 118.700 -0.008 0.000 2.901 126 N HA -0.202 4.537 4.740 -0.002 0.000 0.248 126 N C -0.542 174.960 175.510 -0.012 0.000 1.044 126 N CA 0.060 53.105 53.050 -0.010 0.000 0.847 126 N CB -0.980 37.498 38.487 -0.015 0.000 1.127 126 N HN 0.400 8.780 8.380 -0.000 0.000 0.562 127 L N -1.780 119.438 121.223 -0.009 0.000 3.533 127 L HA -0.232 4.107 4.340 -0.002 0.000 0.477 127 L C 0.319 177.178 176.870 -0.018 0.000 1.306 127 L CA 0.525 55.361 54.840 -0.007 0.000 0.850 127 L CB -1.040 41.016 42.059 -0.004 0.000 1.654 127 L HN 0.265 8.495 8.230 -0.000 0.000 0.863 128 R N 1.443 121.927 120.500 -0.026 0.000 2.242 128 R HA 0.576 4.915 4.340 -0.002 0.000 0.334 128 R C -0.221 176.063 176.300 -0.027 0.000 1.071 128 R CA -0.006 56.066 56.100 -0.047 0.000 0.922 128 R CB 0.457 30.722 30.300 -0.059 0.000 1.023 128 R HN 0.345 8.615 8.270 -0.000 0.000 0.458 129 L N 1.929 123.138 121.223 -0.023 0.000 2.375 129 L HA 0.560 4.899 4.340 -0.002 0.000 0.268 129 L C 0.142 177.016 176.870 0.006 0.000 1.058 129 L CA -0.841 53.998 54.840 -0.001 0.000 0.803 129 L CB 1.793 43.856 42.059 0.006 0.000 1.212 129 L HN 0.572 8.802 8.230 -0.000 0.000 0.451 130 S N -0.853 114.859 115.700 0.019 0.000 2.571 130 S HA 0.408 4.877 4.470 -0.002 0.000 0.284 130 S C 0.008 174.628 174.600 0.035 0.000 1.128 130 S CA -0.479 57.737 58.200 0.027 0.000 0.970 130 S CB 1.723 64.938 63.200 0.025 0.000 1.039 130 S HN 0.637 8.947 8.310 -0.000 0.000 0.485 131 T N 4.424 119.000 114.554 0.037 0.000 3.054 131 T HA 0.184 4.533 4.350 -0.002 0.000 0.255 131 T C 1.542 176.266 174.700 0.040 0.000 1.035 131 T CA -0.149 61.975 62.100 0.040 0.000 0.941 131 T CB 0.017 68.908 68.868 0.038 0.000 1.026 131 T HN 0.610 8.850 8.240 -0.000 0.000 0.533 132 K N 2.034 122.456 120.400 0.038 0.000 1.975 132 K HA -0.219 4.100 4.320 -0.002 0.000 0.233 132 K C 0.925 177.547 176.600 0.037 0.000 0.991 132 K CA 1.710 58.020 56.287 0.037 0.000 1.022 132 K CB -0.464 32.057 32.500 0.035 0.000 0.723 132 K HN 0.648 8.898 8.250 -0.000 0.000 0.473 133 E N 1.538 121.759 120.200 0.036 0.000 2.459 133 E HA -0.126 4.223 4.350 -0.002 0.000 0.264 133 E C 0.481 177.104 176.600 0.039 0.000 1.055 133 E CA 0.038 56.459 56.400 0.035 0.000 0.957 133 E CB 0.346 30.067 29.700 0.034 0.000 0.952 133 E HN 0.252 8.612 8.360 -0.000 0.000 0.448 134 E N 0.978 121.199 120.200 0.036 0.000 2.204 134 E HA -0.210 4.139 4.350 -0.002 0.000 0.195 134 E C 1.605 178.233 176.600 0.047 0.000 0.990 134 E CA 0.757 57.180 56.400 0.039 0.000 0.821 134 E CB 0.033 29.753 29.700 0.033 0.000 0.750 134 E HN 0.611 8.971 8.360 -0.000 0.000 0.477 135 E N 0.249 120.477 120.200 0.047 0.000 2.472 135 E HA -0.117 4.232 4.350 -0.002 0.000 0.200 135 E C 0.329 176.973 176.600 0.074 0.000 1.046 135 E CA 0.409 56.843 56.400 0.056 0.000 0.871 135 E CB 0.274 30.002 29.700 0.047 0.000 0.806 135 E HN 0.101 8.461 8.360 -0.000 0.000 0.533 136 M N -0.446 119.195 119.600 0.069 0.000 2.705 136 M HA 0.539 5.018 4.480 -0.002 0.000 0.311 136 M C 0.612 176.955 176.300 0.072 0.000 1.214 136 M CA -0.155 55.191 55.300 0.076 0.000 0.920 136 M CB 1.578 34.217 32.600 0.065 0.000 1.687 136 M HN 0.073 8.363 8.290 -0.000 0.000 0.481 137 G N 0.088 108.931 108.800 0.072 0.000 2.346 137 G HA2 0.096 4.055 3.960 -0.002 0.000 0.294 137 G HA3 0.096 4.055 3.960 -0.002 0.000 0.294 137 G C -1.597 173.354 174.900 0.086 0.000 1.294 137 G CA -1.114 44.029 45.100 0.072 0.000 0.962 137 G HN 0.562 8.852 8.290 -0.000 0.000 0.508 138 V N 1.030 121.011 119.914 0.110 0.000 2.655 138 V HA 0.299 4.418 4.120 -0.002 0.000 0.300 138 V C 1.457 177.709 176.094 0.262 0.000 1.044 138 V CA 0.586 62.980 62.300 0.156 0.000 1.095 138 V CB 1.134 33.066 31.823 0.181 0.000 0.952 138 V HN 0.625 8.815 8.190 -0.000 0.000 0.485 139 L N 3.997 125.275 121.223 0.092 0.000 2.575 139 L HA 0.392 4.731 4.340 -0.002 0.000 0.228 139 L C 0.910 177.401 176.870 -0.631 0.000 1.075 139 L CA 0.283 55.051 54.840 -0.121 0.000 0.867 139 L CB 0.231 42.220 42.059 -0.117 0.000 1.097 139 L HN 0.651 8.881 8.230 -0.000 0.000 0.485 140 R N 0.478 120.785 120.500 -0.321 0.000 2.563 140 R HA 0.660 4.999 4.340 -0.002 0.000 0.262 140 R C -2.013 174.319 176.300 0.053 0.000 1.128 140 R CA -0.227 55.671 56.100 -0.336 0.000 0.969 140 R CB 1.755 31.887 30.300 -0.280 0.000 1.251 140 R HN -0.068 8.202 8.270 -0.000 0.000 0.442 141 A N 4.631 127.582 122.820 0.218 0.000 2.479 141 A HA 0.761 5.080 4.320 -0.002 0.000 0.296 141 A C -1.466 176.172 177.584 0.091 0.000 1.121 141 A CA -0.846 51.276 52.037 0.141 0.000 0.743 141 A CB 1.588 20.685 19.000 0.161 0.000 1.323 141 A HN 0.546 8.696 8.150 -0.000 0.000 0.415 142 L N 0.367 121.614 121.223 0.041 0.000 2.334 142 L HA 0.459 4.798 4.340 -0.002 0.000 0.273 142 L C 0.146 177.035 176.870 0.031 0.000 1.013 142 L CA -0.805 54.051 54.840 0.027 0.000 0.816 142 L CB 1.691 43.749 42.059 -0.001 0.000 1.278 142 L HN 0.834 9.064 8.230 -0.000 0.000 0.431 143 C N 1.209 120.526 119.300 0.029 0.000 2.634 143 C HA 0.048 4.507 4.460 -0.002 0.000 0.418 143 C C 1.900 176.906 174.990 0.027 0.000 1.373 143 C CA -0.129 58.904 59.018 0.025 0.000 1.756 143 C CB 0.288 28.041 27.740 0.021 0.000 2.589 143 C HN 0.930 9.160 8.230 -0.000 0.000 0.602 144 S N 3.441 119.159 115.700 0.029 0.000 2.474 144 S HA -0.119 4.350 4.470 -0.002 0.000 0.235 144 S C 1.588 176.205 174.600 0.030 0.000 0.997 144 S CA 1.735 59.957 58.200 0.037 0.000 0.949 144 S CB -0.352 62.870 63.200 0.037 0.000 0.766 144 S HN 0.936 9.246 8.310 -0.000 0.000 0.517 145 N N 1.086 119.799 118.700 0.022 0.000 2.335 145 N HA -0.049 4.690 4.740 -0.002 0.000 0.197 145 N C 1.892 177.412 175.510 0.017 0.000 1.045 145 N CA 1.580 54.640 53.050 0.017 0.000 0.928 145 N CB -0.533 37.961 38.487 0.013 0.000 1.118 145 N HN 0.460 8.840 8.380 -0.000 0.000 0.471 146 C N -0.651 118.657 119.300 0.015 0.000 2.539 146 C HA 0.427 4.886 4.460 -0.002 0.000 0.268 146 C C 0.588 175.586 174.990 0.013 0.000 1.395 146 C CA -0.422 58.604 59.018 0.013 0.000 1.757 146 C CB -0.692 27.055 27.740 0.011 0.000 1.851 146 C HN 0.449 8.679 8.230 -0.000 0.000 0.545 147 K N 0.310 120.719 120.400 0.016 0.000 3.391 147 K HA -0.135 4.184 4.320 -0.002 0.000 0.307 147 K C -0.094 176.512 176.600 0.010 0.000 1.304 147 K CA 1.327 57.622 56.287 0.013 0.000 0.904 147 K CB -2.712 29.795 32.500 0.011 0.000 1.293 147 K HN 0.691 8.941 8.250 -0.000 0.000 0.470 148 T N 1.493 116.055 114.554 0.014 0.000 2.897 148 T HA 0.142 4.491 4.350 -0.002 0.000 0.294 148 T C 0.499 175.213 174.700 0.023 0.000 1.004 148 T CA -0.497 61.612 62.100 0.015 0.000 1.106 148 T CB 1.551 70.428 68.868 0.015 0.000 0.949 148 T HN 0.162 8.402 8.240 -0.000 0.000 0.520 149 E N 3.263 123.476 120.200 0.022 0.000 2.480 149 E HA 0.015 4.364 4.350 -0.002 0.000 0.258 149 E C -0.192 176.448 176.600 0.067 0.000 0.984 149 E CA -0.006 56.416 56.400 0.036 0.000 0.930 149 E CB 0.341 30.051 29.700 0.016 0.000 0.936 149 E HN 0.465 8.825 8.360 -0.000 0.000 0.466 150 M N 3.844 123.511 119.600 0.111 0.000 2.211 150 M HA 0.172 4.651 4.480 -0.002 0.000 0.356 150 M C -0.399 176.019 176.300 0.197 0.000 1.216 150 M CA -0.602 54.769 55.300 0.118 0.000 1.134 150 M CB 1.405 34.056 32.600 0.085 0.000 1.564 150 M HN 0.286 8.576 8.290 -0.000 0.000 0.463 151 V N 3.871 123.859 119.914 0.123 0.000 2.509 151 V HA 0.274 4.393 4.120 -0.002 0.000 0.284 151 V C 0.416 176.557 176.094 0.078 0.000 1.047 151 V CA -0.497 61.886 62.300 0.138 0.000 0.952 151 V CB 1.489 33.358 31.823 0.076 0.000 0.988 151 V HN 0.788 8.978 8.190 -0.000 0.000 0.469 152 R N 4.008 124.573 120.500 0.108 0.000 2.491 152 R HA 0.278 4.617 4.340 -0.002 0.000 0.283 152 R C -0.208 176.087 176.300 -0.009 0.000 1.072 152 R CA 0.013 56.091 56.100 -0.036 0.000 1.048 152 R CB 0.447 30.760 30.300 0.021 0.000 0.983 152 R HN 0.831 9.101 8.270 -0.000 0.000 0.450 153 E N 3.592 123.766 120.200 -0.043 0.000 2.448 153 E HA 0.270 4.619 4.350 -0.002 0.000 0.288 153 E C -0.312 176.270 176.600 -0.029 0.000 0.936 153 E CA 0.192 56.580 56.400 -0.021 0.000 0.809 153 E CB 0.807 30.499 29.700 -0.014 0.000 1.408 153 E HN 0.963 9.323 8.360 -0.000 0.000 0.393 154 G N 4.500 113.288 108.800 -0.019 0.000 2.552 154 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.267 154 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.267 154 G C 0.157 175.039 174.900 -0.030 0.000 1.174 154 G CA 0.347 45.436 45.100 -0.019 0.000 0.955 154 G HN 0.578 8.868 8.290 -0.000 0.000 0.546 155 D N 0.807 121.186 120.400 -0.036 0.000 2.538 155 D HA 0.464 5.103 4.640 -0.002 0.000 0.231 155 D C 0.247 176.507 176.300 -0.066 0.000 1.229 155 D CA -0.076 53.897 54.000 -0.045 0.000 0.828 155 D CB 0.628 41.412 40.800 -0.026 0.000 1.035 155 D HN 0.400 8.770 8.370 -0.000 0.000 0.495 156 I N 0.782 121.304 120.570 -0.079 0.000 2.865 156 I HA 0.344 4.513 4.170 -0.002 0.000 0.302 156 I C -0.376 175.665 176.117 -0.128 0.000 1.140 156 I CA -0.833 60.412 61.300 -0.091 0.000 1.021 156 I CB 1.800 39.766 38.000 -0.056 0.000 1.233 156 I HN -0.196 8.014 8.210 -0.000 0.000 0.427 157 L N 3.888 125.022 121.223 -0.149 0.000 2.312 157 L HA 0.493 4.832 4.340 -0.002 0.000 0.281 157 L C 0.120 176.946 176.870 -0.075 0.000 1.070 157 L CA -0.485 54.256 54.840 -0.165 0.000 0.805 157 L CB 1.184 43.115 42.059 -0.214 0.000 1.174 157 L HN 0.559 8.789 8.230 -0.000 0.000 0.434 158 K N 2.698 123.071 120.400 -0.045 0.000 2.375 158 K HA 0.402 4.721 4.320 -0.002 0.000 0.249 158 K C -1.401 175.202 176.600 0.005 0.000 0.942 158 K CA -0.623 55.654 56.287 -0.016 0.000 0.806 158 K CB 2.313 34.806 32.500 -0.012 0.000 1.227 158 K HN 0.678 8.928 8.250 -0.000 0.000 0.430 159 C N 5.951 125.256 119.300 0.008 0.000 2.325 159 C HA 0.445 4.904 4.460 -0.002 0.000 0.347 159 C C -0.904 174.094 174.990 0.014 0.000 1.263 159 C CA -2.130 56.898 59.018 0.016 0.000 1.806 159 C CB 0.516 28.264 27.740 0.014 0.000 2.405 159 C HN 0.762 8.992 8.230 -0.000 0.000 0.537 160 P HA -0.104 4.316 4.420 -0.000 0.000 0.223 160 P C 0.923 178.230 177.300 0.012 0.000 1.151 160 P CA 1.376 64.485 63.100 0.015 0.000 0.787 160 P CB 0.497 32.208 31.700 0.018 0.000 0.788 161 E N 0.614 120.821 120.200 0.012 0.000 2.021 161 E HA -0.093 4.256 4.350 -0.002 0.000 0.191 161 E C 1.967 178.571 176.600 0.008 0.000 0.971 161 E CA 1.397 57.803 56.400 0.009 0.000 0.825 161 E CB -1.068 28.638 29.700 0.010 0.000 0.788 161 E HN 0.252 8.612 8.360 -0.000 0.000 0.460 162 C N -0.239 119.066 119.300 0.008 0.000 2.626 162 C HA 0.546 5.005 4.460 -0.002 0.000 0.266 162 C C 1.873 176.866 174.990 0.006 0.000 1.317 162 C CA 0.361 59.383 59.018 0.007 0.000 1.716 162 C CB -0.965 26.779 27.740 0.007 0.000 1.819 162 C HN 0.664 8.894 8.230 -0.000 0.000 0.578 163 G N 1.238 110.042 108.800 0.006 0.000 2.196 163 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.268 163 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.268 163 G C 0.447 175.348 174.900 0.002 0.000 0.975 163 G CA 0.692 45.794 45.100 0.004 0.000 0.648 163 G HN 1.020 9.310 8.290 -0.000 0.000 0.538 164 R N -0.457 120.045 120.500 0.003 0.000 2.873 164 R HA 0.383 4.722 4.340 -0.002 0.000 0.267 164 R C -0.324 175.974 176.300 -0.003 0.000 1.009 164 R CA 0.673 56.774 56.100 0.001 0.000 1.152 164 R CB 0.334 30.637 30.300 0.004 0.000 1.047 164 R HN 0.298 8.568 8.270 -0.000 0.000 0.470 165 V N 2.798 122.708 119.914 -0.007 0.000 2.612 165 V HA 0.289 4.408 4.120 -0.002 0.000 0.301 165 V C -0.989 175.095 176.094 -0.017 0.000 1.059 165 V CA -0.652 61.639 62.300 -0.014 0.000 0.886 165 V CB 1.758 33.572 31.823 -0.015 0.000 1.007 165 V HN 0.868 9.058 8.190 -0.000 0.000 0.426 166 E N 2.861 123.046 120.200 -0.025 0.000 2.277 166 E HA 0.619 4.968 4.350 -0.002 0.000 0.266 166 E C -1.006 175.569 176.600 -0.043 0.000 0.901 166 E CA -0.983 55.402 56.400 -0.025 0.000 0.782 166 E CB 3.190 32.881 29.700 -0.016 0.000 1.228 166 E HN 0.526 8.886 8.360 -0.000 0.000 0.424 167 K N 2.152 122.531 120.400 -0.037 0.000 2.259 167 K HA 0.511 4.830 4.320 -0.002 0.000 0.252 167 K C -1.036 175.540 176.600 -0.040 0.000 0.936 167 K CA -0.603 55.657 56.287 -0.045 0.000 0.810 167 K CB 1.131 33.611 32.500 -0.033 0.000 1.143 167 K HN 0.620 8.870 8.250 -0.000 0.000 0.427 168 R N 1.231 121.701 120.500 -0.050 0.000 2.728 168 R HA 0.242 4.581 4.340 -0.002 0.000 0.274 168 R C -1.265 175.018 176.300 -0.029 0.000 1.032 168 R CA -1.249 54.832 56.100 -0.032 0.000 0.866 168 R CB 0.186 30.473 30.300 -0.023 0.000 1.263 168 R HN 0.212 8.482 8.270 -0.000 0.000 0.475 169 K N 2.353 122.749 120.400 -0.006 0.000 2.062 169 K HA 0.166 4.485 4.320 -0.002 0.000 0.251 169 K C -0.399 176.211 176.600 0.017 0.000 1.113 169 K CA 0.118 56.409 56.287 0.007 0.000 1.096 169 K CB -0.881 31.631 32.500 0.020 0.000 1.099 169 K HN 0.500 8.750 8.250 -0.000 0.000 0.350 170 I N 2.279 122.846 120.570 -0.005 0.000 2.416 170 I HA -0.021 4.148 4.170 -0.002 0.000 0.288 170 I C 1.014 177.170 176.117 0.065 0.000 1.051 170 I CA -0.256 61.047 61.300 0.005 0.000 1.375 170 I CB 1.084 39.026 38.000 -0.097 0.000 1.407 170 I HN 0.382 8.592 8.210 -0.000 0.000 0.516 171 S N 3.514 119.293 115.700 0.132 0.000 2.585 171 S HA 0.064 4.533 4.470 -0.002 0.000 0.273 171 S C 1.361 176.038 174.600 0.129 0.000 1.339 171 S CA -0.418 57.855 58.200 0.122 0.000 1.028 171 S CB 0.822 64.103 63.200 0.134 0.000 0.906 171 S HN 0.779 9.089 8.310 -0.000 0.000 0.528 172 T N 0.426 115.038 114.554 0.096 0.000 3.227 172 T HA 0.131 4.480 4.350 -0.002 0.000 0.257 172 T C -0.062 174.697 174.700 0.097 0.000 1.162 172 T CA 0.350 62.501 62.100 0.086 0.000 1.051 172 T CB -0.300 68.604 68.868 0.060 0.000 0.953 172 T HN 0.541 8.781 8.240 -0.000 0.000 0.535 173 D N -0.004 120.467 120.400 0.118 0.000 2.535 173 D HA 0.166 4.805 4.640 -0.002 0.000 0.229 173 D C -0.532 175.828 176.300 0.099 0.000 1.238 173 D CA -0.611 53.450 54.000 0.101 0.000 0.824 173 D CB -0.214 40.647 40.800 0.101 0.000 1.045 173 D HN 0.503 8.873 8.370 -0.000 0.000 0.500 174 Y N 1.419 121.740 120.300 0.035 0.000 2.650 174 Y HA 0.274 4.823 4.550 -0.002 0.000 0.331 174 Y C 1.685 177.599 175.900 0.023 0.000 1.165 174 Y CA 1.419 59.534 58.100 0.025 0.000 1.473 174 Y CB 0.384 38.854 38.460 0.017 0.000 1.224 174 Y HN 0.295 8.575 8.280 -0.000 0.000 0.533 175 G N 4.384 112.957 108.800 -0.379 0.000 2.184 175 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.264 175 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.264 175 G C 1.129 175.994 174.900 -0.060 0.000 0.975 175 G CA 0.609 45.594 45.100 -0.192 0.000 0.642 175 G HN 0.670 8.960 8.290 -0.000 0.000 0.536 176 K N 0.091 120.476 120.400 -0.026 0.000 2.365 176 K HA 0.351 4.670 4.320 -0.002 0.000 0.197 176 K C 1.902 178.506 176.600 0.007 0.000 1.042 176 K CA 0.618 56.910 56.287 0.008 0.000 0.987 176 K CB -0.033 32.486 32.500 0.031 0.000 0.779 176 K HN 1.319 9.569 8.250 -0.000 0.000 0.484 177 G N 2.025 110.822 108.800 -0.006 0.000 2.176 177 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.252 177 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.252 177 G C -0.503 174.449 174.900 0.086 0.000 1.024 177 G CA 0.283 45.395 45.100 0.019 0.000 0.755 177 G HN 0.378 8.668 8.290 -0.000 0.000 0.507 178 E N -0.906 119.364 120.200 0.117 0.000 2.356 178 E HA 0.649 4.998 4.350 -0.002 0.000 0.275 178 E C -0.010 176.741 176.600 0.252 0.000 0.904 178 E CA -1.053 55.440 56.400 0.155 0.000 0.757 178 E CB 1.950 31.681 29.700 0.052 0.000 1.232 178 E HN 0.455 8.815 8.360 -0.000 0.000 0.442 179 W N 0.000 121.290 121.300 -0.017 0.000 2.388 179 W HA 0.000 4.659 4.660 -0.002 0.000 0.303 179 W CA 0.000 57.338 57.345 -0.011 0.000 1.226 179 W CB 0.000 29.451 29.460 -0.015 0.000 1.126 179 W HN 0.000 8.180 8.180 -0.000 0.000 0.535