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 3hpi_1_B DATA FIRST_RESID 2 DATA SEQUENCE IEEGKLVIWI NGLFGYNGLA EVGKKFEKDT GIKVTVEHPD KLEEKFPQVA DATA SEQUENCE ATGDGPDIIF YAHDRFGGYA QSGLLAEITP DKAFQDKLYP FTWDAVRYNG DATA SEQUENCE KLIAYPIAVY ALSLIYNKDL LPNPPKTWEE IPALDKELKA KGKSALMFNL DATA SEQUENCE QEPYFTWPLI AADGGYAFKY ENGKYDIKDV GVDNAGAKAG LTFLVDLIKN DATA SEQUENCE KHMNADTDYS IAEAAFNKGE TAMTINGPWA WSNIDTSKVN YGVTVLPTFK DATA SEQUENCE GQPSKPFVGV LSAGINAASP NKELAKEFLE NYLLTDEGLE AVNKDKPLGA DATA SEQUENCE VALKSYEEEL AKDPRIAATM ENAQKGEIMP NIPQMSAFWY AVRTAVINAA DATA SEQUENCE SGRQTVDEAL KDAQTRITK 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 2 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 2 I C 0.000 176.092 176.117 -0.042 0.000 1.063 2 I CA 0.000 61.262 61.300 -0.063 0.000 1.566 2 I CB 0.000 37.950 38.000 -0.083 0.000 1.214 3 E N 0.724 120.901 120.200 -0.037 0.000 2.321 3 E HA 0.222 4.214 4.350 -0.596 0.000 0.281 3 E C -0.741 175.845 176.600 -0.023 0.000 0.910 3 E CA -0.550 55.834 56.400 -0.026 0.000 0.770 3 E CB 2.420 32.109 29.700 -0.019 0.000 1.225 3 E HN 0.821 9.181 8.360 -0.000 0.000 0.417 4 E N 1.828 122.017 120.200 -0.019 0.000 2.455 4 E HA -0.118 3.874 4.350 -0.596 0.000 0.202 4 E C 0.933 177.529 176.600 -0.007 0.000 1.045 4 E CA 1.136 57.528 56.400 -0.013 0.000 0.872 4 E CB 0.056 29.748 29.700 -0.012 0.000 0.792 4 E HN 0.637 8.997 8.360 -0.000 0.000 0.542 5 G N 0.611 109.407 108.800 -0.007 0.000 3.596 5 G HA2 0.103 3.706 3.960 -0.596 0.000 0.274 5 G HA3 0.103 3.706 3.960 -0.596 0.000 0.274 5 G C -0.158 174.745 174.900 0.003 0.000 1.007 5 G CA -0.253 44.847 45.100 -0.001 0.000 0.825 5 G HN 0.176 8.466 8.290 -0.000 0.000 0.508 6 K N -0.718 119.682 120.400 0.000 0.000 2.469 6 K HA 0.769 4.732 4.320 -0.596 0.000 0.268 6 K C -1.644 174.947 176.600 -0.015 0.000 1.027 6 K CA -1.032 55.257 56.287 0.003 0.000 0.893 6 K CB 1.279 33.777 32.500 -0.003 0.000 1.460 6 K HN -0.063 8.187 8.250 -0.000 0.000 0.449 7 L N 1.573 122.775 121.223 -0.036 0.000 2.356 7 L HA 0.505 4.487 4.340 -0.596 0.000 0.277 7 L C -1.113 175.698 176.870 -0.097 0.000 0.996 7 L CA -1.322 53.460 54.840 -0.096 0.000 0.822 7 L CB 2.154 44.093 42.059 -0.200 0.000 1.256 7 L HN 0.388 8.618 8.230 -0.000 0.000 0.413 8 V N 4.837 124.697 119.914 -0.089 0.000 2.398 8 V HA 0.480 4.242 4.120 -0.596 0.000 0.286 8 V C 0.050 176.113 176.094 -0.051 0.000 1.026 8 V CA -0.293 61.976 62.300 -0.052 0.000 0.868 8 V CB 1.909 33.697 31.823 -0.058 0.000 0.982 8 V HN 0.506 8.696 8.190 -0.000 0.000 0.443 9 I N 3.794 124.392 120.570 0.045 0.000 2.474 9 I HA 0.479 4.291 4.170 -0.596 0.000 0.294 9 I C -1.113 175.232 176.117 0.380 0.000 1.005 9 I CA -0.465 60.923 61.300 0.147 0.000 1.113 9 I CB 2.206 40.262 38.000 0.094 0.000 1.289 9 I HN 0.505 8.715 8.210 -0.000 0.000 0.436 10 W N 6.966 128.344 121.300 0.130 0.000 2.587 10 W HA 0.721 5.019 4.660 -0.604 0.000 0.324 10 W C -0.562 176.080 176.519 0.205 0.000 1.040 10 W CA -1.002 56.407 57.345 0.106 0.000 1.222 10 W CB 1.509 31.014 29.460 0.074 0.000 1.381 10 W HN 0.191 8.371 8.180 -0.000 0.000 0.483 11 I N 3.300 124.063 120.570 0.321 0.000 2.841 11 I HA 0.264 4.076 4.170 -0.596 0.000 0.298 11 I C -0.245 175.971 176.117 0.164 0.000 1.304 11 I CA -0.816 60.671 61.300 0.311 0.000 1.019 11 I CB 1.635 39.750 38.000 0.192 0.000 1.282 11 I HN 0.234 8.444 8.210 -0.000 0.000 0.432 12 N N 3.951 122.727 118.700 0.126 0.000 2.359 12 N HA 0.002 4.384 4.740 -0.596 0.000 0.261 12 N C 1.007 176.325 175.510 -0.321 0.000 1.267 12 N CA 1.245 54.162 53.050 -0.222 0.000 0.864 12 N CB 1.558 39.610 38.487 -0.725 0.000 1.063 12 N HN 0.889 9.269 8.380 -0.000 0.000 0.474 13 G N 3.782 112.435 108.800 -0.245 0.000 2.527 13 G HA2 -0.164 3.438 3.960 -0.596 0.000 0.219 13 G HA3 -0.164 3.438 3.960 -0.596 0.000 0.219 13 G C 1.567 176.335 174.900 -0.220 0.000 1.117 13 G CA 0.359 45.364 45.100 -0.158 0.000 0.759 13 G HN 0.659 8.949 8.290 -0.000 0.000 0.556 14 L N -0.677 120.190 121.223 -0.593 0.000 2.240 14 L HA 0.201 4.183 4.340 -0.596 0.000 0.211 14 L C 0.864 177.506 176.870 -0.381 0.000 1.106 14 L CA -0.163 54.274 54.840 -0.673 0.000 0.793 14 L CB -0.216 41.099 42.059 -1.240 0.000 0.927 14 L HN 0.055 8.286 8.230 -0.000 0.000 0.446 15 F N -0.344 119.488 119.950 -0.198 0.000 2.324 15 F HA 0.363 4.584 4.527 -0.510 0.000 0.306 15 F C 1.466 177.213 175.800 -0.088 0.000 1.179 15 F CA -1.749 56.185 58.000 -0.110 0.000 1.081 15 F CB -0.422 38.517 39.000 -0.103 0.000 1.380 15 F HN -0.294 8.006 8.300 -0.000 0.000 0.512 16 G N -0.267 108.615 108.800 0.137 0.000 3.102 16 G HA2 0.103 3.705 3.960 -0.596 0.000 0.264 16 G HA3 0.103 3.705 3.960 -0.596 0.000 0.264 16 G C 0.451 175.313 174.900 -0.063 0.000 0.788 16 G CA -0.221 44.850 45.100 -0.048 0.000 2.029 16 G HN 0.695 8.985 8.290 -0.000 0.000 0.608 17 Y N -0.301 119.985 120.300 -0.024 0.000 2.352 17 Y HA -0.070 4.120 4.550 -0.601 0.000 0.292 17 Y C 2.014 177.899 175.900 -0.025 0.000 1.136 17 Y CA 1.074 59.149 58.100 -0.040 0.000 1.227 17 Y CB -0.515 37.913 38.460 -0.054 0.000 0.991 17 Y HN 0.402 8.682 8.280 -0.000 0.000 0.545 18 N N 0.528 119.039 118.700 -0.315 0.000 2.188 18 N HA -0.056 4.327 4.740 -0.596 0.000 0.184 18 N C 2.147 177.632 175.510 -0.041 0.000 1.018 18 N CA 0.802 53.774 53.050 -0.131 0.000 0.858 18 N CB -0.369 37.966 38.487 -0.253 0.000 0.989 18 N HN 0.568 8.948 8.380 -0.000 0.000 0.426 19 G N 1.192 109.954 108.800 -0.064 0.000 2.402 19 G HA2 -0.192 3.411 3.960 -0.596 0.000 0.216 19 G HA3 -0.192 3.411 3.960 -0.596 0.000 0.216 19 G C 1.432 176.343 174.900 0.019 0.000 1.162 19 G CA 0.255 45.346 45.100 -0.015 0.000 0.777 19 G HN 0.142 8.432 8.290 -0.000 0.000 0.539 20 L N 1.503 122.735 121.223 0.015 0.000 2.079 20 L HA 0.117 4.099 4.340 -0.596 0.000 0.210 20 L C 2.996 179.929 176.870 0.105 0.000 1.081 20 L CA 2.104 56.965 54.840 0.035 0.000 0.752 20 L CB -0.649 41.376 42.059 -0.057 0.000 0.896 20 L HN 0.229 8.459 8.230 -0.000 0.000 0.433 21 A N -0.849 122.028 122.820 0.096 0.000 1.972 21 A HA -0.208 3.755 4.320 -0.596 0.000 0.219 21 A C 2.109 179.761 177.584 0.114 0.000 1.169 21 A CA 1.701 53.803 52.037 0.108 0.000 0.635 21 A CB -0.560 18.510 19.000 0.116 0.000 0.810 21 A HN 0.647 8.797 8.150 -0.000 0.000 0.446 22 E N -0.245 120.013 120.200 0.095 0.000 2.072 22 E HA -0.116 3.877 4.350 -0.596 0.000 0.191 22 E C 1.916 178.597 176.600 0.135 0.000 0.985 22 E CA 1.270 57.727 56.400 0.094 0.000 0.801 22 E CB -0.310 29.427 29.700 0.062 0.000 0.750 22 E HN 0.427 8.787 8.360 -0.000 0.000 0.452 23 V N 1.092 121.097 119.914 0.152 0.000 2.407 23 V HA -0.179 3.583 4.120 -0.596 0.000 0.248 23 V C 2.373 178.682 176.094 0.359 0.000 1.055 23 V CA 1.925 64.348 62.300 0.205 0.000 1.049 23 V CB -0.947 30.959 31.823 0.138 0.000 0.662 23 V HN 0.402 8.592 8.190 -0.000 0.000 0.455 24 G N -0.198 108.818 108.800 0.361 0.000 2.422 24 G HA2 -0.220 3.383 3.960 -0.596 0.000 0.218 24 G HA3 -0.220 3.383 3.960 -0.596 0.000 0.218 24 G C 1.658 176.714 174.900 0.260 0.000 1.140 24 G CA 0.698 45.996 45.100 0.330 0.000 0.775 24 G HN 0.481 8.771 8.290 -0.000 0.000 0.545 25 K N 0.140 120.655 120.400 0.191 0.000 2.097 25 K HA -0.022 3.940 4.320 -0.596 0.000 0.206 25 K C 2.372 179.069 176.600 0.162 0.000 1.049 25 K CA 1.243 57.616 56.287 0.144 0.000 0.933 25 K CB -0.082 32.483 32.500 0.108 0.000 0.717 25 K HN 0.259 8.509 8.250 -0.000 0.000 0.442 26 K N 0.202 120.730 120.400 0.212 0.000 2.155 26 K HA -0.119 3.843 4.320 -0.596 0.000 0.203 26 K C 1.927 178.704 176.600 0.294 0.000 1.052 26 K CA 0.848 57.277 56.287 0.237 0.000 0.948 26 K CB -0.082 32.578 32.500 0.266 0.000 0.728 26 K HN 0.000 8.250 8.250 -0.000 0.000 0.448 27 F N 2.729 122.740 119.950 0.101 0.000 2.102 27 F HA -0.196 3.977 4.527 -0.590 0.000 0.298 27 F C 2.174 177.925 175.800 -0.083 0.000 1.105 27 F CA 2.192 60.082 58.000 -0.184 0.000 1.239 27 F CB -0.392 38.512 39.000 -0.160 0.000 0.991 27 F HN 0.235 8.535 8.300 -0.000 0.000 0.474 28 E N 0.366 120.583 120.200 0.027 0.000 2.110 28 E HA -0.289 3.703 4.350 -0.596 0.000 0.193 28 E C 2.282 178.837 176.600 -0.075 0.000 0.988 28 E CA 1.544 57.900 56.400 -0.074 0.000 0.804 28 E CB -0.661 29.051 29.700 0.021 0.000 0.745 28 E HN 0.502 8.862 8.360 -0.000 0.000 0.458 29 K N 0.491 120.890 120.400 -0.003 0.000 2.103 29 K HA -0.200 3.763 4.320 -0.596 0.000 0.207 29 K C 1.112 177.703 176.600 -0.016 0.000 1.048 29 K CA 1.996 58.288 56.287 0.009 0.000 0.930 29 K CB 0.047 32.578 32.500 0.052 0.000 0.716 29 K HN 0.194 8.444 8.250 -0.000 0.000 0.444 30 D N -1.047 119.335 120.400 -0.030 0.000 2.277 30 D HA -0.066 4.217 4.640 -0.596 0.000 0.209 30 D C 1.633 177.853 176.300 -0.133 0.000 0.970 30 D CA 1.017 54.999 54.000 -0.030 0.000 0.874 30 D CB 0.073 40.928 40.800 0.093 0.000 0.982 30 D HN 0.193 8.563 8.370 -0.000 0.000 0.504 31 T N -1.597 112.766 114.554 -0.318 0.000 3.014 31 T HA 0.307 4.300 4.350 -0.596 0.000 0.250 31 T C 1.455 176.001 174.700 -0.257 0.000 1.060 31 T CA 1.232 63.103 62.100 -0.383 0.000 1.040 31 T CB 0.104 68.472 68.868 -0.833 0.000 0.971 31 T HN 0.265 8.505 8.240 -0.000 0.000 0.497 32 G N 1.172 109.849 108.800 -0.205 0.000 2.253 32 G HA2 -0.203 3.400 3.960 -0.596 0.000 0.251 32 G HA3 -0.203 3.400 3.960 -0.596 0.000 0.251 32 G C -0.023 174.813 174.900 -0.106 0.000 0.998 32 G CA 0.208 45.237 45.100 -0.118 0.000 0.621 32 G HN 0.528 8.818 8.290 -0.000 0.000 0.524 33 I N 1.679 122.150 120.570 -0.165 0.000 2.496 33 I HA 0.347 4.160 4.170 -0.596 0.000 0.285 33 I C 0.757 176.877 176.117 0.004 0.000 1.080 33 I CA -0.725 60.533 61.300 -0.069 0.000 1.404 33 I CB 1.248 39.230 38.000 -0.030 0.000 1.403 33 I HN -0.043 8.167 8.210 -0.000 0.000 0.539 34 K N 5.723 126.135 120.400 0.020 0.000 2.205 34 K HA 0.433 4.395 4.320 -0.596 0.000 0.279 34 K C -1.243 175.379 176.600 0.037 0.000 1.027 34 K CA -0.333 55.973 56.287 0.033 0.000 0.932 34 K CB 1.106 33.616 32.500 0.016 0.000 1.032 34 K HN 0.350 8.600 8.250 -0.000 0.000 0.466 35 V N 3.731 123.667 119.914 0.036 0.000 2.409 35 V HA 0.293 4.055 4.120 -0.596 0.000 0.291 35 V C -0.270 175.816 176.094 -0.015 0.000 1.020 35 V CA -0.746 61.532 62.300 -0.036 0.000 0.848 35 V CB 1.803 33.562 31.823 -0.107 0.000 0.990 35 V HN 0.757 8.947 8.190 -0.000 0.000 0.430 36 T N 4.436 118.980 114.554 -0.017 0.000 2.779 36 T HA 0.581 4.574 4.350 -0.596 0.000 0.280 36 T C -0.320 174.405 174.700 0.042 0.000 0.987 36 T CA -0.417 61.697 62.100 0.023 0.000 0.966 36 T CB 1.666 70.553 68.868 0.033 0.000 0.933 36 T HN 0.328 8.568 8.240 -0.000 0.000 0.442 37 V N 4.116 124.071 119.914 0.068 0.000 2.398 37 V HA 0.473 4.236 4.120 -0.596 0.000 0.286 37 V C -0.077 176.072 176.094 0.092 0.000 1.026 37 V CA -0.774 61.585 62.300 0.098 0.000 0.868 37 V CB 1.496 33.386 31.823 0.111 0.000 0.982 37 V HN 0.786 8.976 8.190 -0.000 0.000 0.443 38 E N 2.936 123.198 120.200 0.104 0.000 2.277 38 E HA 0.482 4.475 4.350 -0.596 0.000 0.266 38 E C -1.020 175.468 176.600 -0.186 0.000 0.901 38 E CA -0.675 55.673 56.400 -0.086 0.000 0.782 38 E CB 2.359 32.003 29.700 -0.093 0.000 1.228 38 E HN 0.991 9.351 8.360 -0.000 0.000 0.424 39 H N -1.653 117.161 119.070 -0.426 0.000 2.379 39 H HA 0.355 4.553 4.556 -0.597 0.000 0.229 39 H C -2.484 172.577 175.328 -0.445 0.000 1.423 39 H CA -1.909 53.872 56.048 -0.445 0.000 1.375 39 H CB -0.068 29.297 29.762 -0.662 0.000 1.592 39 H HN 0.083 8.363 8.280 -0.000 0.000 0.507 40 P HA 0.038 4.458 4.420 -0.000 0.000 0.271 40 P C -0.391 176.669 177.300 -0.401 0.000 1.216 40 P CA -0.126 62.597 63.100 -0.629 0.000 0.771 40 P CB 1.364 32.486 31.700 -0.962 0.000 0.864 41 D N 3.109 123.326 120.400 -0.305 0.000 2.443 41 D HA -0.017 4.265 4.640 -0.596 0.000 0.239 41 D C 0.794 176.983 176.300 -0.185 0.000 1.136 41 D CA 0.375 54.255 54.000 -0.201 0.000 0.879 41 D CB 0.265 40.972 40.800 -0.155 0.000 1.195 41 D HN 0.362 8.732 8.370 -0.000 0.000 0.443 42 K N 0.677 120.997 120.400 -0.133 0.000 3.035 42 K HA -0.210 3.753 4.320 -0.596 0.000 0.262 42 K C 1.384 177.903 176.600 -0.136 0.000 1.024 42 K CA 0.127 56.349 56.287 -0.108 0.000 0.748 42 K CB -1.596 30.853 32.500 -0.084 0.000 1.247 42 K HN 0.508 8.758 8.250 -0.000 0.000 0.482 43 L N -0.808 120.318 121.223 -0.163 0.000 2.187 43 L HA -0.155 3.828 4.340 -0.596 0.000 0.213 43 L C 2.315 179.145 176.870 -0.066 0.000 1.100 43 L CA 1.759 56.510 54.840 -0.148 0.000 0.765 43 L CB -0.494 41.493 42.059 -0.120 0.000 0.904 43 L HN 0.273 8.503 8.230 -0.000 0.000 0.437 44 E N 1.152 121.193 120.200 -0.265 0.000 2.338 44 E HA -0.227 3.766 4.350 -0.596 0.000 0.197 44 E C 1.393 177.969 176.600 -0.041 0.000 1.007 44 E CA 1.408 57.596 56.400 -0.353 0.000 0.849 44 E CB -0.171 28.977 29.700 -0.921 0.000 0.774 44 E HN 0.789 9.149 8.360 -0.000 0.000 0.506 45 E N 0.637 120.812 120.200 -0.041 0.000 2.201 45 E HA 0.060 4.053 4.350 -0.596 0.000 0.193 45 E C 2.000 178.603 176.600 0.005 0.000 0.957 45 E CA 0.122 56.522 56.400 -0.001 0.000 0.858 45 E CB 0.226 29.911 29.700 -0.025 0.000 0.816 45 E HN 0.163 8.523 8.360 -0.000 0.000 0.475 46 K N 0.569 120.978 120.400 0.014 0.000 2.057 46 K HA -0.154 3.808 4.320 -0.596 0.000 0.207 46 K C 1.981 178.669 176.600 0.147 0.000 1.049 46 K CA 1.180 57.503 56.287 0.060 0.000 0.931 46 K CB -0.235 32.276 32.500 0.019 0.000 0.714 46 K HN 0.044 8.294 8.250 -0.000 0.000 0.440 47 F N 2.433 122.418 119.950 0.059 0.000 2.065 47 F HA -0.160 4.017 4.527 -0.583 0.000 0.298 47 F C -1.180 174.433 175.800 -0.311 0.000 1.112 47 F CA 1.279 59.208 58.000 -0.119 0.000 1.212 47 F CB -1.049 37.752 39.000 -0.331 0.000 0.975 47 F HN -0.019 8.281 8.300 -0.000 0.000 0.476 48 P HA -0.192 4.228 4.420 -0.000 0.000 0.215 48 P C 1.415 178.506 177.300 -0.349 0.000 1.153 48 P CA 2.095 64.923 63.100 -0.453 0.000 0.853 48 P CB -0.169 31.451 31.700 -0.133 0.000 0.788 49 Q N -0.445 119.226 119.800 -0.214 0.000 2.002 49 Q HA -0.139 3.843 4.340 -0.596 0.000 0.204 49 Q C 2.176 178.064 176.000 -0.187 0.000 0.988 49 Q CA 2.179 57.889 55.803 -0.156 0.000 0.843 49 Q CB -1.050 27.635 28.738 -0.088 0.000 0.908 49 Q HN 0.217 8.487 8.270 -0.000 0.000 0.420 50 V N -1.824 117.974 119.914 -0.193 0.000 2.427 50 V HA -0.053 3.709 4.120 -0.596 0.000 0.248 50 V C 2.156 178.065 176.094 -0.309 0.000 1.051 50 V CA 1.562 63.747 62.300 -0.191 0.000 1.048 50 V CB -1.240 30.523 31.823 -0.100 0.000 0.666 50 V HN 0.296 8.486 8.190 -0.000 0.000 0.456 51 A N 0.507 123.007 122.820 -0.533 0.000 2.125 51 A HA 0.149 4.111 4.320 -0.596 0.000 0.219 51 A C 2.381 179.739 177.584 -0.376 0.000 1.156 51 A CA 1.929 53.606 52.037 -0.600 0.000 0.671 51 A CB -0.784 17.533 19.000 -1.138 0.000 0.794 51 A HN 0.930 9.080 8.150 -0.000 0.000 0.459 52 A N -0.110 122.529 122.820 -0.301 0.000 1.854 52 A HA -0.032 3.930 4.320 -0.596 0.000 0.214 52 A C 2.137 179.631 177.584 -0.150 0.000 1.192 52 A CA 1.922 53.841 52.037 -0.197 0.000 0.611 52 A CB -1.248 17.657 19.000 -0.159 0.000 0.832 52 A HN 0.787 8.937 8.150 -0.000 0.000 0.442 53 T N -2.978 111.491 114.554 -0.142 0.000 3.509 53 T HA 0.398 4.390 4.350 -0.596 0.000 0.250 53 T C 1.134 175.767 174.700 -0.112 0.000 1.076 53 T CA 0.844 62.879 62.100 -0.108 0.000 0.966 53 T CB -0.693 68.121 68.868 -0.090 0.000 1.046 53 T HN 1.722 9.962 8.240 -0.000 0.000 0.591 54 G N 1.666 110.385 108.800 -0.136 0.000 2.179 54 G HA2 -0.222 3.380 3.960 -0.596 0.000 0.257 54 G HA3 -0.222 3.380 3.960 -0.596 0.000 0.257 54 G C -0.254 174.563 174.900 -0.139 0.000 1.010 54 G CA 0.364 45.388 45.100 -0.128 0.000 0.736 54 G HN 0.965 9.255 8.290 -0.000 0.000 0.513 55 D N -2.096 118.200 120.400 -0.173 0.000 2.801 55 D HA 0.858 5.140 4.640 -0.596 0.000 0.277 55 D C 0.852 176.993 176.300 -0.265 0.000 1.125 55 D CA 0.194 54.089 54.000 -0.174 0.000 1.102 55 D CB 1.097 41.824 40.800 -0.121 0.000 1.400 55 D HN 1.570 9.940 8.370 -0.000 0.000 0.601 56 G N -1.280 107.352 108.800 -0.280 0.000 2.342 56 G HA2 0.153 3.756 3.960 -0.596 0.000 0.220 56 G HA3 0.153 3.756 3.960 -0.596 0.000 0.220 56 G C -2.876 171.649 174.900 -0.625 0.000 1.243 56 G CA -0.397 44.387 45.100 -0.526 0.000 1.083 56 G HN 0.712 9.002 8.290 -0.000 0.000 0.500 57 P HA 0.391 4.811 4.420 -0.000 0.000 0.281 57 P C -0.231 176.874 177.300 -0.324 0.000 1.264 57 P CA -0.276 62.389 63.100 -0.725 0.000 0.824 57 P CB 1.504 32.526 31.700 -1.130 0.000 1.092 58 D N -0.068 120.208 120.400 -0.207 0.000 2.162 58 D HA 0.072 4.354 4.640 -0.596 0.000 0.203 58 D C 0.628 176.879 176.300 -0.081 0.000 0.967 58 D CA 1.379 55.309 54.000 -0.116 0.000 0.840 58 D CB 0.374 41.117 40.800 -0.096 0.000 0.972 58 D HN 0.343 8.713 8.370 -0.000 0.000 0.482 59 I N 0.937 121.458 120.570 -0.082 0.000 2.582 59 I HA 0.360 4.172 4.170 -0.596 0.000 0.292 59 I C -0.740 175.385 176.117 0.014 0.000 1.066 59 I CA -0.803 60.480 61.300 -0.029 0.000 1.053 59 I CB 3.225 41.253 38.000 0.046 0.000 1.241 59 I HN -0.209 8.001 8.210 -0.000 0.000 0.421 60 I N 5.070 125.604 120.570 -0.059 0.000 2.465 60 I HA 0.479 4.292 4.170 -0.596 0.000 0.291 60 I C -1.564 174.673 176.117 0.199 0.000 1.014 60 I CA -0.461 60.860 61.300 0.036 0.000 1.093 60 I CB 1.553 39.277 38.000 -0.460 0.000 1.267 60 I HN 0.336 8.546 8.210 -0.000 0.000 0.431 61 F N 7.947 128.071 119.950 0.291 0.000 2.388 61 F HA 0.552 4.705 4.527 -0.622 0.000 0.358 61 F C -0.642 175.451 175.800 0.488 0.000 1.122 61 F CA -0.244 57.969 58.000 0.354 0.000 1.056 61 F CB 1.135 40.307 39.000 0.286 0.000 1.155 61 F HN 0.378 8.678 8.300 -0.000 0.000 0.461 62 Y N 1.079 121.683 120.300 0.506 0.000 2.713 62 Y HA 0.625 4.841 4.550 -0.557 0.000 0.335 62 Y C -0.652 175.456 175.900 0.346 0.000 1.222 62 Y CA -1.565 56.813 58.100 0.464 0.000 1.061 62 Y CB 1.078 39.801 38.460 0.439 0.000 1.314 62 Y HN 0.666 8.946 8.280 -0.000 0.000 0.453 63 A N 1.275 124.054 122.820 -0.068 0.000 2.520 63 A HA 0.083 4.045 4.320 -0.596 0.000 0.235 63 A C 0.758 178.419 177.584 0.129 0.000 1.065 63 A CA 0.792 52.832 52.037 0.006 0.000 0.764 63 A CB -0.413 18.522 19.000 -0.108 0.000 1.002 63 A HN 1.095 9.245 8.150 -0.000 0.000 0.502 64 H N 0.314 119.298 119.070 -0.143 0.000 2.489 64 H HA -0.129 4.058 4.556 -0.616 0.000 0.293 64 H C 1.241 176.580 175.328 0.018 0.000 1.066 64 H CA 1.304 57.233 56.048 -0.200 0.000 1.305 64 H CB -0.049 29.569 29.762 -0.240 0.000 1.386 64 H HN 0.757 9.037 8.280 -0.000 0.000 0.551 65 D N 1.162 121.152 120.400 -0.683 0.000 2.221 65 D HA -0.195 4.088 4.640 -0.596 0.000 0.204 65 D C 1.669 177.885 176.300 -0.141 0.000 0.982 65 D CA 0.714 54.450 54.000 -0.439 0.000 0.857 65 D CB -0.226 40.417 40.800 -0.260 0.000 0.934 65 D HN 0.367 8.737 8.370 -0.000 0.000 0.475 66 R N -0.543 119.946 120.500 -0.019 0.000 2.193 66 R HA 0.044 4.027 4.340 -0.596 0.000 0.213 66 R C 2.076 177.958 176.300 -0.696 0.000 1.055 66 R CA 0.104 56.051 56.100 -0.254 0.000 0.995 66 R CB -0.615 29.568 30.300 -0.195 0.000 0.893 66 R HN 0.262 8.532 8.270 -0.000 0.000 0.459 67 F N 0.374 120.002 119.950 -0.538 0.000 2.234 67 F HA -0.003 4.189 4.527 -0.557 0.000 0.299 67 F C 2.509 178.074 175.800 -0.391 0.000 1.087 67 F CA 1.204 58.946 58.000 -0.431 0.000 1.340 67 F CB -1.015 37.910 39.000 -0.125 0.000 1.031 67 F HN 0.114 8.414 8.300 -0.000 0.000 0.500 68 G N -0.127 108.493 108.800 -0.299 0.000 2.440 68 G HA2 -0.222 3.380 3.960 -0.596 0.000 0.218 68 G HA3 -0.222 3.380 3.960 -0.596 0.000 0.218 68 G C 2.084 176.567 174.900 -0.695 0.000 1.154 68 G CA 0.977 45.611 45.100 -0.775 0.000 0.767 68 G HN 0.512 8.802 8.290 -0.000 0.000 0.552 69 G N -0.093 108.457 108.800 -0.417 0.000 2.421 69 G HA2 -0.179 3.424 3.960 -0.596 0.000 0.216 69 G HA3 -0.179 3.424 3.960 -0.596 0.000 0.216 69 G C 1.634 176.521 174.900 -0.021 0.000 1.171 69 G CA 1.031 46.005 45.100 -0.209 0.000 0.775 69 G HN 0.374 8.664 8.290 -0.000 0.000 0.543 70 Y N 1.434 121.671 120.300 -0.106 0.000 2.207 70 Y HA 0.000 4.193 4.550 -0.595 0.000 0.287 70 Y C 3.118 179.005 175.900 -0.023 0.000 1.156 70 Y CA 0.110 58.185 58.100 -0.042 0.000 1.182 70 Y CB -1.261 37.161 38.460 -0.064 0.000 0.979 70 Y HN 0.278 8.558 8.280 -0.000 0.000 0.521 71 A N 0.059 122.936 122.820 0.095 0.000 1.877 71 A HA -0.279 3.684 4.320 -0.596 0.000 0.216 71 A C 2.328 179.994 177.584 0.137 0.000 1.186 71 A CA 1.835 53.945 52.037 0.120 0.000 0.620 71 A CB -0.967 18.117 19.000 0.140 0.000 0.822 71 A HN 0.532 8.682 8.150 -0.000 0.000 0.443 72 Q N -0.107 119.744 119.800 0.085 0.000 2.135 72 Q HA -0.143 3.840 4.340 -0.596 0.000 0.204 72 Q C 1.391 177.446 176.000 0.091 0.000 0.981 72 Q CA 1.831 57.720 55.803 0.144 0.000 0.856 72 Q CB -0.183 28.618 28.738 0.105 0.000 0.902 72 Q HN 0.522 8.792 8.270 -0.000 0.000 0.425 73 S N -0.299 115.441 115.700 0.068 0.000 2.701 73 S HA 0.183 4.296 4.470 -0.596 0.000 0.220 73 S C 0.688 175.304 174.600 0.026 0.000 0.954 73 S CA 0.446 58.669 58.200 0.037 0.000 0.936 73 S CB 0.230 63.442 63.200 0.021 0.000 0.777 73 S HN 0.702 9.012 8.310 -0.000 0.000 0.518 74 G N 1.612 110.445 108.800 0.055 0.000 2.323 74 G HA2 -0.247 3.355 3.960 -0.596 0.000 0.292 74 G HA3 -0.247 3.355 3.960 -0.596 0.000 0.292 74 G C 0.401 175.314 174.900 0.022 0.000 1.040 74 G CA 0.337 45.464 45.100 0.045 0.000 0.942 74 G HN 0.560 8.850 8.290 -0.000 0.000 0.506 75 L N -1.575 119.673 121.223 0.041 0.000 2.590 75 L HA 0.378 4.361 4.340 -0.596 0.000 0.227 75 L C 1.196 178.126 176.870 0.101 0.000 1.099 75 L CA 0.192 55.035 54.840 0.005 0.000 0.872 75 L CB 0.119 42.137 42.059 -0.070 0.000 1.088 75 L HN 0.226 8.456 8.230 -0.000 0.000 0.479 76 L N 0.475 121.777 121.223 0.132 0.000 2.313 76 L HA 0.582 4.564 4.340 -0.596 0.000 0.283 76 L C 0.254 177.191 176.870 0.111 0.000 1.013 76 L CA -0.580 54.347 54.840 0.145 0.000 0.816 76 L CB 1.751 43.920 42.059 0.183 0.000 1.236 76 L HN -0.084 8.146 8.230 -0.000 0.000 0.419 77 A N 3.028 125.906 122.820 0.096 0.000 2.425 77 A HA 0.267 4.230 4.320 -0.596 0.000 0.249 77 A C 0.099 177.734 177.584 0.084 0.000 1.084 77 A CA -0.333 51.749 52.037 0.076 0.000 0.781 77 A CB 0.103 19.141 19.000 0.064 0.000 1.019 77 A HN 0.768 8.918 8.150 -0.000 0.000 0.490 78 E N 0.976 121.214 120.200 0.064 0.000 2.384 78 E HA 0.272 4.265 4.350 -0.596 0.000 0.266 78 E C 0.039 176.659 176.600 0.032 0.000 1.012 78 E CA 0.077 56.506 56.400 0.049 0.000 0.901 78 E CB 0.560 30.279 29.700 0.031 0.000 0.967 78 E HN 0.619 8.979 8.360 -0.000 0.000 0.435 79 I N -0.525 120.043 120.570 -0.003 0.000 2.713 79 I HA 0.298 4.110 4.170 -0.596 0.000 0.300 79 I C 0.477 176.551 176.117 -0.072 0.000 1.009 79 I CA -0.422 60.855 61.300 -0.039 0.000 1.305 79 I CB 1.551 39.411 38.000 -0.234 0.000 1.430 79 I HN 0.248 8.458 8.210 -0.000 0.000 0.546 80 T N 4.636 119.169 114.554 -0.035 0.000 3.532 80 T HA 0.380 4.372 4.350 -0.596 0.000 0.241 80 T C -2.323 172.352 174.700 -0.042 0.000 1.238 80 T CA -1.348 60.726 62.100 -0.043 0.000 1.405 80 T CB -0.269 68.594 68.868 -0.009 0.000 0.971 80 T HN 0.625 8.865 8.240 -0.000 0.000 0.640 81 P HA 0.255 4.675 4.420 -0.000 0.000 0.276 81 P C -0.232 177.058 177.300 -0.017 0.000 1.230 81 P CA -0.256 62.828 63.100 -0.027 0.000 0.776 81 P CB 0.888 32.615 31.700 0.045 0.000 0.888 82 D N 2.202 122.636 120.400 0.056 0.000 2.377 82 D HA 0.017 4.300 4.640 -0.596 0.000 0.245 82 D C 0.937 177.265 176.300 0.047 0.000 1.196 82 D CA -0.475 53.549 54.000 0.041 0.000 0.962 82 D CB 1.305 42.142 40.800 0.061 0.000 1.127 82 D HN 0.306 8.676 8.370 -0.000 0.000 0.471 83 K N -0.108 120.295 120.400 0.005 0.000 2.097 83 K HA -0.149 3.814 4.320 -0.596 0.000 0.206 83 K C 1.958 178.573 176.600 0.025 0.000 1.049 83 K CA 1.234 57.511 56.287 -0.017 0.000 0.933 83 K CB -0.330 32.156 32.500 -0.024 0.000 0.717 83 K HN 0.524 8.774 8.250 -0.000 0.000 0.442 84 A N 0.368 123.225 122.820 0.062 0.000 1.930 84 A HA -0.153 3.810 4.320 -0.596 0.000 0.217 84 A C 1.917 179.561 177.584 0.100 0.000 1.175 84 A CA 1.102 53.180 52.037 0.068 0.000 0.627 84 A CB -0.611 18.434 19.000 0.076 0.000 0.815 84 A HN 0.481 8.631 8.150 -0.000 0.000 0.443 85 F N 0.613 120.595 119.950 0.054 0.000 2.163 85 F HA -0.115 4.051 4.527 -0.602 0.000 0.297 85 F C 2.472 178.395 175.800 0.205 0.000 1.094 85 F CA 1.862 59.935 58.000 0.122 0.000 1.290 85 F CB -0.243 38.851 39.000 0.156 0.000 1.017 85 F HN 0.285 8.585 8.300 -0.000 0.000 0.483 86 Q N -0.145 119.774 119.800 0.197 0.000 2.170 86 Q HA -0.208 3.775 4.340 -0.596 0.000 0.203 86 Q C 1.362 177.487 176.000 0.209 0.000 0.976 86 Q CA 1.534 57.411 55.803 0.123 0.000 0.858 86 Q CB -0.297 28.203 28.738 -0.397 0.000 0.907 86 Q HN 0.406 8.676 8.270 -0.000 0.000 0.433 87 D N 0.518 120.946 120.400 0.047 0.000 2.348 87 D HA -0.067 4.216 4.640 -0.596 0.000 0.216 87 D C 1.069 177.338 176.300 -0.051 0.000 0.970 87 D CA 0.861 54.873 54.000 0.020 0.000 0.889 87 D CB 0.089 40.887 40.800 -0.003 0.000 0.912 87 D HN 0.214 8.584 8.370 -0.000 0.000 0.524 88 K N -0.269 120.047 120.400 -0.139 0.000 2.418 88 K HA 0.135 4.098 4.320 -0.596 0.000 0.195 88 K C 0.656 177.062 176.600 -0.324 0.000 1.035 88 K CA 0.270 56.403 56.287 -0.256 0.000 1.003 88 K CB 0.731 33.004 32.500 -0.377 0.000 0.793 88 K HN 0.092 8.342 8.250 -0.000 0.000 0.494 89 L N 0.391 121.472 121.223 -0.236 0.000 2.322 89 L HA 0.356 4.339 4.340 -0.596 0.000 0.269 89 L C -0.372 176.329 176.870 -0.281 0.000 1.012 89 L CA -1.341 53.270 54.840 -0.382 0.000 0.815 89 L CB 0.759 42.455 42.059 -0.606 0.000 1.295 89 L HN -0.085 8.145 8.230 -0.000 0.000 0.438 90 Y N 1.838 122.013 120.300 -0.207 0.000 2.425 90 Y HA 0.083 4.266 4.550 -0.610 0.000 0.331 90 Y C -1.257 174.596 175.900 -0.078 0.000 1.157 90 Y CA -1.551 56.496 58.100 -0.088 0.000 1.372 90 Y CB 0.029 38.443 38.460 -0.077 0.000 1.253 90 Y HN 0.405 8.685 8.280 -0.000 0.000 0.536 91 P HA -0.275 4.145 4.420 -0.000 0.000 0.216 91 P C 1.513 178.955 177.300 0.236 0.000 1.153 91 P CA 1.876 65.171 63.100 0.324 0.000 0.858 91 P CB -0.233 31.631 31.700 0.273 0.000 0.789 92 F N 1.192 121.214 119.950 0.119 0.000 2.333 92 F HA -0.116 4.045 4.527 -0.610 0.000 0.300 92 F C 1.932 177.727 175.800 -0.009 0.000 1.083 92 F CA 1.753 59.780 58.000 0.045 0.000 1.395 92 F CB -2.387 36.610 39.000 -0.005 0.000 1.056 92 F HN -0.055 8.245 8.300 -0.000 0.000 0.529 93 T N -3.369 110.679 114.554 -0.844 0.000 2.857 93 T HA -0.180 3.813 4.350 -0.596 0.000 0.266 93 T C 1.648 176.110 174.700 -0.397 0.000 1.048 93 T CA 1.075 62.721 62.100 -0.756 0.000 1.139 93 T CB -1.248 67.115 68.868 -0.842 0.000 0.874 93 T HN 0.565 8.805 8.240 -0.000 0.000 0.455 94 W N 2.085 123.274 121.300 -0.185 0.000 2.363 94 W HA 0.010 4.337 4.660 -0.554 0.000 0.296 94 W C 2.248 178.725 176.519 -0.069 0.000 1.212 94 W CA 0.411 57.693 57.345 -0.104 0.000 1.260 94 W CB -0.140 29.283 29.460 -0.062 0.000 1.131 94 W HN 0.224 8.404 8.180 -0.000 0.000 0.530 95 D N 0.035 120.545 120.400 0.183 0.000 2.144 95 D HA -0.154 4.128 4.640 -0.596 0.000 0.199 95 D C 2.200 178.552 176.300 0.087 0.000 0.984 95 D CA 1.662 55.745 54.000 0.138 0.000 0.834 95 D CB -0.667 40.219 40.800 0.143 0.000 0.955 95 D HN 0.135 8.505 8.370 -0.000 0.000 0.465 96 A N 0.754 123.562 122.820 -0.020 0.000 1.978 96 A HA -0.140 3.822 4.320 -0.596 0.000 0.220 96 A C 2.128 179.717 177.584 0.008 0.000 1.170 96 A CA 1.677 53.643 52.037 -0.119 0.000 0.636 96 A CB -0.350 18.379 19.000 -0.452 0.000 0.810 96 A HN 0.249 8.399 8.150 -0.000 0.000 0.448 97 V N -3.282 116.639 119.914 0.012 0.000 3.271 97 V HA 0.364 4.127 4.120 -0.596 0.000 0.327 97 V C 0.502 176.686 176.094 0.150 0.000 1.389 97 V CA -0.222 62.112 62.300 0.057 0.000 1.156 97 V CB -0.780 31.026 31.823 -0.028 0.000 1.103 97 V HN 0.407 8.597 8.190 -0.000 0.000 0.453 98 R N 0.958 121.558 120.500 0.168 0.000 2.207 98 R HA 0.418 4.400 4.340 -0.596 0.000 0.334 98 R C -1.704 174.732 176.300 0.226 0.000 1.013 98 R CA -0.656 55.544 56.100 0.167 0.000 0.858 98 R CB 0.924 31.300 30.300 0.127 0.000 1.094 98 R HN 0.494 8.764 8.270 -0.000 0.000 0.457 99 Y N 4.968 125.316 120.300 0.080 0.000 2.331 99 Y HA 0.160 4.352 4.550 -0.596 0.000 0.334 99 Y C -0.151 175.784 175.900 0.059 0.000 0.960 99 Y CA -1.101 57.045 58.100 0.076 0.000 1.130 99 Y CB 1.099 39.611 38.460 0.086 0.000 1.164 99 Y HN 0.907 9.187 8.280 -0.000 0.000 0.458 100 N N 4.041 122.367 118.700 -0.623 0.000 2.740 100 N HA -0.193 4.189 4.740 -0.596 0.000 0.248 100 N C 0.659 176.058 175.510 -0.184 0.000 1.062 100 N CA 1.865 54.627 53.050 -0.479 0.000 0.704 100 N CB -1.159 36.962 38.487 -0.610 0.000 0.968 100 N HN 1.523 9.903 8.380 -0.000 0.000 0.547 101 G N -1.487 107.253 108.800 -0.099 0.000 2.159 101 G HA2 -0.321 3.282 3.960 -0.596 0.000 0.256 101 G HA3 -0.321 3.282 3.960 -0.596 0.000 0.256 101 G C -0.088 174.800 174.900 -0.019 0.000 0.977 101 G CA 0.775 45.849 45.100 -0.044 0.000 0.652 101 G HN 0.654 8.944 8.290 -0.000 0.000 0.531 102 K N -0.494 119.911 120.400 0.008 0.000 2.426 102 K HA 0.629 4.592 4.320 -0.596 0.000 0.251 102 K C -0.061 176.576 176.600 0.062 0.000 0.941 102 K CA -1.007 55.296 56.287 0.026 0.000 0.808 102 K CB 1.983 34.507 32.500 0.039 0.000 1.265 102 K HN 0.064 8.314 8.250 -0.000 0.000 0.432 103 L N 4.343 125.581 121.223 0.024 0.000 2.325 103 L HA 0.148 4.130 4.340 -0.596 0.000 0.284 103 L C 0.684 177.591 176.870 0.062 0.000 1.089 103 L CA -0.221 54.645 54.840 0.044 0.000 0.836 103 L CB 0.088 42.117 42.059 -0.048 0.000 1.184 103 L HN 0.641 8.871 8.230 -0.000 0.000 0.444 104 I N 0.621 121.268 120.570 0.128 0.000 3.904 104 I HA 0.606 4.418 4.170 -0.596 0.000 0.333 104 I C 0.447 176.681 176.117 0.196 0.000 1.361 104 I CA -0.235 61.165 61.300 0.166 0.000 1.116 104 I CB 0.074 38.216 38.000 0.236 0.000 1.028 104 I HN 0.417 8.627 8.210 -0.000 0.000 0.398 105 A N -0.516 122.371 122.820 0.111 0.000 2.567 105 A HA 0.674 4.636 4.320 -0.596 0.000 0.291 105 A C -2.008 175.577 177.584 0.002 0.000 1.048 105 A CA -0.613 51.482 52.037 0.096 0.000 0.661 105 A CB 0.259 19.290 19.000 0.051 0.000 1.288 105 A HN 0.079 8.229 8.150 -0.000 0.000 0.424 106 Y N 0.617 120.912 120.300 -0.007 0.000 2.341 106 Y HA 0.486 4.672 4.550 -0.607 0.000 0.340 106 Y C -2.237 173.519 175.900 -0.240 0.000 0.997 106 Y CA -1.891 56.181 58.100 -0.046 0.000 1.149 106 Y CB 1.233 39.694 38.460 0.003 0.000 1.171 106 Y HN 0.370 8.650 8.280 -0.000 0.000 0.494 107 P HA 0.102 4.522 4.420 -0.000 0.000 0.276 107 P C -0.011 177.148 177.300 -0.235 0.000 1.230 107 P CA 0.139 63.028 63.100 -0.353 0.000 0.776 107 P CB 1.123 32.476 31.700 -0.578 0.000 0.888 108 I N 1.054 121.530 120.570 -0.157 0.000 3.366 108 I HA 0.353 4.165 4.170 -0.596 0.000 0.267 108 I C 0.896 176.981 176.117 -0.053 0.000 1.149 108 I CA 0.454 61.724 61.300 -0.050 0.000 1.436 108 I CB -0.849 37.198 38.000 0.078 0.000 1.379 108 I HN 0.286 8.496 8.210 -0.000 0.000 0.460 109 A N 0.614 123.390 122.820 -0.074 0.000 2.587 109 A HA 0.720 4.683 4.320 -0.596 0.000 0.293 109 A C -1.327 176.197 177.584 -0.101 0.000 1.087 109 A CA -0.366 51.650 52.037 -0.036 0.000 0.692 109 A CB 1.913 20.931 19.000 0.030 0.000 1.291 109 A HN -0.143 8.007 8.150 -0.000 0.000 0.407 110 V N 1.873 121.765 119.914 -0.037 0.000 2.448 110 V HA 0.700 4.463 4.120 -0.596 0.000 0.295 110 V C -0.953 175.175 176.094 0.057 0.000 1.025 110 V CA -0.387 61.871 62.300 -0.070 0.000 0.859 110 V CB 0.789 32.643 31.823 0.052 0.000 0.988 110 V HN 1.047 9.237 8.190 -0.000 0.000 0.431 111 Y N 2.436 122.801 120.300 0.107 0.000 2.625 111 Y HA 0.984 5.506 4.550 -0.046 0.000 0.338 111 Y C -0.471 175.560 175.900 0.219 0.000 1.123 111 Y CA -1.424 56.757 58.100 0.135 0.000 1.046 111 Y CB 1.602 40.154 38.460 0.153 0.000 1.299 111 Y HN 0.836 9.116 8.280 -0.000 0.000 0.464 112 A N 1.548 124.650 122.820 0.469 0.000 2.609 112 A HA 0.720 4.683 4.320 -0.596 0.000 0.291 112 A C -1.855 175.866 177.584 0.227 0.000 1.096 112 A CA -1.136 51.135 52.037 0.390 0.000 0.684 112 A CB 1.215 20.364 19.000 0.248 0.000 1.282 112 A HN 0.857 9.007 8.150 -0.000 0.000 0.412 113 L N 1.000 122.304 121.223 0.135 0.000 2.418 113 L HA 0.593 4.576 4.340 -0.596 0.000 0.265 113 L C 0.421 177.314 176.870 0.039 0.000 1.143 113 L CA -0.137 54.717 54.840 0.022 0.000 0.809 113 L CB 1.393 43.416 42.059 -0.061 0.000 1.124 113 L HN 0.696 8.926 8.230 -0.000 0.000 0.456 114 S N 1.671 117.391 115.700 0.033 0.000 2.661 114 S HA 0.497 4.609 4.470 -0.596 0.000 0.285 114 S C -1.208 173.403 174.600 0.018 0.000 1.138 114 S CA -0.606 57.628 58.200 0.057 0.000 0.855 114 S CB 2.124 65.406 63.200 0.137 0.000 1.136 114 S HN 0.380 8.690 8.310 -0.000 0.000 0.484 115 L N 2.928 124.154 121.223 0.005 0.000 2.265 115 L HA 0.558 4.540 4.340 -0.596 0.000 0.288 115 L C -1.316 175.599 176.870 0.074 0.000 1.058 115 L CA -0.135 54.686 54.840 -0.033 0.000 0.809 115 L CB -0.216 41.783 42.059 -0.100 0.000 1.179 115 L HN 0.636 8.866 8.230 -0.000 0.000 0.429 116 I N 6.957 127.529 120.570 0.003 0.000 2.377 116 I HA 0.312 4.125 4.170 -0.596 0.000 0.293 116 I C -0.889 175.289 176.117 0.101 0.000 0.987 116 I CA -0.767 60.531 61.300 -0.003 0.000 1.185 116 I CB 1.459 39.279 38.000 -0.300 0.000 1.341 116 I HN 0.541 8.751 8.210 -0.000 0.000 0.455 117 Y N 4.108 124.504 120.300 0.160 0.000 2.512 117 Y HA 0.488 4.679 4.550 -0.598 0.000 0.348 117 Y C -0.600 175.563 175.900 0.437 0.000 0.990 117 Y CA -1.733 56.556 58.100 0.316 0.000 1.033 117 Y CB 0.758 39.294 38.460 0.126 0.000 1.259 117 Y HN 0.455 8.735 8.280 -0.000 0.000 0.461 118 N N 3.300 122.233 118.700 0.388 0.000 2.439 118 N HA 0.098 4.480 4.740 -0.596 0.000 0.243 118 N C 0.207 175.757 175.510 0.067 0.000 1.088 118 N CA 0.027 53.107 53.050 0.050 0.000 0.940 118 N CB 0.768 39.133 38.487 -0.203 0.000 1.180 118 N HN 0.908 9.288 8.380 -0.000 0.000 0.505 119 K N 1.688 122.075 120.400 -0.022 0.000 2.281 119 K HA -0.114 3.848 4.320 -0.596 0.000 0.203 119 K C 0.383 177.000 176.600 0.029 0.000 1.046 119 K CA 1.072 57.377 56.287 0.029 0.000 0.938 119 K CB 0.341 32.804 32.500 -0.061 0.000 0.737 119 K HN 0.523 8.773 8.250 -0.000 0.000 0.458 120 D N 0.442 120.837 120.400 -0.008 0.000 2.277 120 D HA -0.044 4.238 4.640 -0.596 0.000 0.208 120 D C 1.685 177.984 176.300 -0.001 0.000 0.962 120 D CA 0.873 54.865 54.000 -0.012 0.000 0.865 120 D CB 0.242 41.021 40.800 -0.034 0.000 0.939 120 D HN 0.185 8.555 8.370 -0.000 0.000 0.510 121 L N -0.582 120.645 121.223 0.007 0.000 2.470 121 L HA 0.146 4.128 4.340 -0.596 0.000 0.219 121 L C 0.267 177.164 176.870 0.045 0.000 1.071 121 L CA 0.177 55.026 54.840 0.015 0.000 0.850 121 L CB 0.837 42.897 42.059 0.001 0.000 1.040 121 L HN -0.088 8.142 8.230 -0.000 0.000 0.475 122 L N 0.554 121.829 121.223 0.086 0.000 2.492 122 L HA 0.342 4.324 4.340 -0.596 0.000 0.259 122 L C -1.922 175.046 176.870 0.163 0.000 1.229 122 L CA -1.213 53.689 54.840 0.103 0.000 0.903 122 L CB 1.040 43.168 42.059 0.115 0.000 1.114 122 L HN -0.275 7.955 8.230 -0.000 0.000 0.494 123 P HA -0.122 4.298 4.420 -0.000 0.000 0.217 123 P C -0.441 176.938 177.300 0.132 0.000 1.148 123 P CA 1.116 64.293 63.100 0.129 0.000 0.828 123 P CB 0.195 31.930 31.700 0.059 0.000 0.783 124 N N 0.974 119.689 118.700 0.024 0.000 2.479 124 N HA 0.257 4.640 4.740 -0.596 0.000 0.261 124 N C -2.493 172.901 175.510 -0.193 0.000 0.979 124 N CA -1.504 51.498 53.050 -0.080 0.000 0.930 124 N CB 1.665 40.118 38.487 -0.058 0.000 1.172 124 N HN 0.190 8.570 8.380 -0.000 0.000 0.499 125 P HA 0.274 4.694 4.420 -0.000 0.000 0.274 125 P C -2.736 174.390 177.300 -0.290 0.000 1.231 125 P CA -1.125 61.688 63.100 -0.478 0.000 0.790 125 P CB 0.029 31.168 31.700 -0.936 0.000 0.951 126 P HA 0.198 4.618 4.420 -0.000 0.000 0.271 126 P C 0.279 177.458 177.300 -0.202 0.000 1.216 126 P CA -0.000 62.990 63.100 -0.183 0.000 0.771 126 P CB 0.314 31.911 31.700 -0.173 0.000 0.864 127 K N -0.205 120.106 120.400 -0.148 0.000 2.379 127 K HA 0.153 4.116 4.320 -0.596 0.000 0.194 127 K C 0.742 177.274 176.600 -0.115 0.000 1.031 127 K CA 0.662 56.870 56.287 -0.132 0.000 1.037 127 K CB 0.068 32.512 32.500 -0.094 0.000 0.824 127 K HN 0.375 8.625 8.250 -0.000 0.000 0.516 128 T N -1.843 112.647 114.554 -0.107 0.000 2.893 128 T HA 0.231 4.224 4.350 -0.596 0.000 0.291 128 T C -0.206 174.466 174.700 -0.048 0.000 1.028 128 T CA -0.732 61.339 62.100 -0.048 0.000 0.995 128 T CB 0.472 69.336 68.868 -0.007 0.000 1.051 128 T HN 0.184 8.424 8.240 -0.000 0.000 0.470 129 W N 1.406 122.685 121.300 -0.036 0.000 2.388 129 W HA 0.039 4.338 4.660 -0.601 0.000 0.294 129 W C 2.051 178.612 176.519 0.069 0.000 1.212 129 W CA 0.630 57.964 57.345 -0.018 0.000 1.271 129 W CB 0.075 29.422 29.460 -0.189 0.000 1.126 129 W HN 0.789 8.969 8.180 -0.000 0.000 0.535 130 E N 0.224 120.553 120.200 0.215 0.000 2.209 130 E HA -0.245 3.748 4.350 -0.596 0.000 0.196 130 E C 1.842 178.574 176.600 0.220 0.000 0.993 130 E CA 1.759 58.305 56.400 0.244 0.000 0.819 130 E CB -0.388 29.378 29.700 0.110 0.000 0.745 130 E HN 0.528 8.888 8.360 -0.000 0.000 0.477 131 E N 0.253 120.528 120.200 0.125 0.000 2.442 131 E HA -0.022 3.971 4.350 -0.596 0.000 0.195 131 E C 1.747 178.375 176.600 0.046 0.000 1.030 131 E CA 0.167 56.606 56.400 0.065 0.000 0.869 131 E CB -0.086 29.623 29.700 0.014 0.000 0.857 131 E HN 0.275 8.635 8.360 -0.000 0.000 0.505 132 I N 1.616 122.234 120.570 0.080 0.000 2.286 132 I HA -0.142 3.671 4.170 -0.596 0.000 0.248 132 I C -0.537 175.544 176.117 -0.061 0.000 1.115 132 I CA 0.873 62.190 61.300 0.028 0.000 1.392 132 I CB -1.251 36.793 38.000 0.073 0.000 1.065 132 I HN 0.109 8.319 8.210 -0.000 0.000 0.418 133 P HA -0.173 4.247 4.420 -0.000 0.000 0.215 133 P C 1.584 178.716 177.300 -0.280 0.000 1.157 133 P CA 1.842 64.641 63.100 -0.501 0.000 0.868 133 P CB 0.007 31.522 31.700 -0.308 0.000 0.788 134 A N -0.800 121.975 122.820 -0.074 0.000 1.933 134 A HA -0.171 3.792 4.320 -0.596 0.000 0.218 134 A C 2.123 179.707 177.584 -0.001 0.000 1.175 134 A CA 1.383 53.417 52.037 -0.005 0.000 0.628 134 A CB -1.651 17.360 19.000 0.018 0.000 0.814 134 A HN 0.158 8.308 8.150 -0.000 0.000 0.444 135 L N 0.232 121.445 121.223 -0.016 0.000 2.093 135 L HA -0.129 3.853 4.340 -0.596 0.000 0.208 135 L C 1.856 178.735 176.870 0.014 0.000 1.085 135 L CA 2.671 57.510 54.840 -0.002 0.000 0.755 135 L CB -0.607 41.446 42.059 -0.010 0.000 0.904 135 L HN 0.490 8.720 8.230 -0.000 0.000 0.435 136 D N -0.685 119.715 120.400 0.001 0.000 2.117 136 D HA -0.259 4.024 4.640 -0.596 0.000 0.198 136 D C 2.265 178.631 176.300 0.110 0.000 0.982 136 D CA 1.423 55.461 54.000 0.063 0.000 0.828 136 D CB -0.049 40.802 40.800 0.085 0.000 0.967 136 D HN 0.329 8.699 8.370 -0.000 0.000 0.464 137 K N 0.262 120.736 120.400 0.124 0.000 2.057 137 K HA -0.198 3.765 4.320 -0.596 0.000 0.207 137 K C 2.110 178.753 176.600 0.071 0.000 1.049 137 K CA 1.318 57.681 56.287 0.126 0.000 0.931 137 K CB -0.080 32.499 32.500 0.132 0.000 0.714 137 K HN 0.163 8.413 8.250 -0.000 0.000 0.440 138 E N 0.390 120.622 120.200 0.053 0.000 2.077 138 E HA -0.165 3.827 4.350 -0.596 0.000 0.193 138 E C 1.980 178.601 176.600 0.035 0.000 0.989 138 E CA 0.974 57.396 56.400 0.036 0.000 0.800 138 E CB 0.030 29.746 29.700 0.026 0.000 0.746 138 E HN 0.318 8.678 8.360 -0.000 0.000 0.452 139 L N 0.302 121.549 121.223 0.040 0.000 2.217 139 L HA -0.121 3.862 4.340 -0.596 0.000 0.211 139 L C 2.387 179.280 176.870 0.038 0.000 1.107 139 L CA 0.658 55.520 54.840 0.037 0.000 0.783 139 L CB -0.110 41.975 42.059 0.042 0.000 0.919 139 L HN -0.009 8.221 8.230 -0.000 0.000 0.442 140 K N 0.576 121.005 120.400 0.048 0.000 2.097 140 K HA -0.098 3.864 4.320 -0.596 0.000 0.206 140 K C 1.996 178.613 176.600 0.028 0.000 1.049 140 K CA 1.328 57.640 56.287 0.042 0.000 0.933 140 K CB -0.408 32.122 32.500 0.050 0.000 0.717 140 K HN 0.241 8.491 8.250 -0.000 0.000 0.442 141 A N 0.173 123.010 122.820 0.027 0.000 2.259 141 A HA -0.131 3.832 4.320 -0.596 0.000 0.212 141 A C 1.653 179.246 177.584 0.015 0.000 1.178 141 A CA 1.293 53.342 52.037 0.020 0.000 0.734 141 A CB -0.299 18.713 19.000 0.020 0.000 0.774 141 A HN 0.239 8.389 8.150 -0.000 0.000 0.481 142 K N -1.325 119.084 120.400 0.016 0.000 2.438 142 K HA 0.312 4.275 4.320 -0.596 0.000 0.205 142 K C 0.837 177.443 176.600 0.009 0.000 1.033 142 K CA 0.574 56.867 56.287 0.011 0.000 1.089 142 K CB -0.128 32.378 32.500 0.010 0.000 0.857 142 K HN 0.573 8.823 8.250 -0.000 0.000 0.522 143 G N 2.023 110.831 108.800 0.012 0.000 2.153 143 G HA2 -0.237 3.365 3.960 -0.596 0.000 0.252 143 G HA3 -0.237 3.365 3.960 -0.596 0.000 0.252 143 G C -0.233 174.674 174.900 0.012 0.000 0.994 143 G CA 0.617 45.723 45.100 0.010 0.000 0.698 143 G HN 0.231 8.521 8.290 -0.000 0.000 0.521 144 K N -0.230 120.181 120.400 0.018 0.000 2.331 144 K HA 0.839 4.801 4.320 -0.596 0.000 0.238 144 K C 0.326 176.950 176.600 0.040 0.000 1.058 144 K CA 0.003 56.303 56.287 0.022 0.000 0.871 144 K CB 1.589 34.098 32.500 0.015 0.000 1.292 144 K HN 0.651 8.901 8.250 -0.000 0.000 0.470 145 S N -1.742 113.989 115.700 0.051 0.000 2.634 145 S HA 0.651 4.764 4.470 -0.596 0.000 0.296 145 S C 0.513 175.163 174.600 0.084 0.000 1.104 145 S CA -0.337 57.907 58.200 0.074 0.000 0.920 145 S CB 1.851 65.099 63.200 0.080 0.000 1.111 145 S HN 0.540 8.850 8.310 -0.000 0.000 0.493 146 A N 0.355 123.232 122.820 0.094 0.000 1.903 146 A HA 0.511 4.474 4.320 -0.596 0.000 0.213 146 A C 0.457 178.109 177.584 0.114 0.000 1.185 146 A CA 0.785 52.873 52.037 0.086 0.000 0.628 146 A CB -0.508 18.526 19.000 0.056 0.000 0.830 146 A HN 1.047 9.197 8.150 -0.000 0.000 0.446 147 L N -0.818 120.492 121.223 0.145 0.000 2.493 147 L HA 0.681 4.664 4.340 -0.596 0.000 0.265 147 L C -1.353 175.665 176.870 0.246 0.000 0.954 147 L CA -0.141 54.816 54.840 0.195 0.000 0.844 147 L CB 1.804 43.979 42.059 0.194 0.000 1.302 147 L HN 0.268 8.498 8.230 -0.000 0.000 0.405 148 M N 6.333 126.090 119.600 0.261 0.000 2.213 148 M HA 0.579 4.701 4.480 -0.596 0.000 0.286 148 M C -1.610 174.849 176.300 0.265 0.000 1.008 148 M CA -0.429 54.994 55.300 0.204 0.000 0.937 148 M CB 1.947 34.615 32.600 0.113 0.000 1.600 148 M HN 0.595 8.885 8.290 -0.000 0.000 0.450 149 F N 0.517 120.460 119.950 -0.011 0.000 2.668 149 F HA 0.541 4.709 4.527 -0.597 0.000 0.309 149 F C -0.686 175.019 175.800 -0.159 0.000 1.117 149 F CA -1.417 56.529 58.000 -0.090 0.000 0.951 149 F CB 0.772 39.792 39.000 0.033 0.000 1.323 149 F HN 0.469 8.769 8.300 -0.000 0.000 0.451 150 N N 2.075 120.549 118.700 -0.378 0.000 2.418 150 N HA 0.078 4.461 4.740 -0.596 0.000 0.277 150 N C 0.285 175.582 175.510 -0.355 0.000 1.317 150 N CA 0.234 52.994 53.050 -0.483 0.000 0.922 150 N CB 0.282 38.282 38.487 -0.812 0.000 1.194 150 N HN 0.799 9.179 8.380 -0.000 0.000 0.485 151 L N 2.072 123.096 121.223 -0.332 0.000 2.592 151 L HA 0.052 4.034 4.340 -0.596 0.000 0.227 151 L C 1.563 178.401 176.870 -0.053 0.000 1.127 151 L CA 0.128 54.826 54.840 -0.238 0.000 0.884 151 L CB -0.050 41.837 42.059 -0.288 0.000 1.065 151 L HN 0.483 8.713 8.230 -0.000 0.000 0.457 152 Q N -0.099 119.684 119.800 -0.029 0.000 2.269 152 Q HA 0.084 4.067 4.340 -0.596 0.000 0.201 152 Q C 0.338 176.398 176.000 0.100 0.000 0.946 152 Q CA 0.757 56.576 55.803 0.026 0.000 0.877 152 Q CB 0.274 29.019 28.738 0.013 0.000 0.963 152 Q HN 0.328 8.598 8.270 -0.000 0.000 0.472 153 E N 1.691 122.008 120.200 0.195 0.000 2.133 153 E HA 0.153 4.146 4.350 -0.596 0.000 0.274 153 E C -1.725 175.103 176.600 0.380 0.000 0.930 153 E CA -2.183 54.387 56.400 0.284 0.000 0.770 153 E CB 1.694 31.637 29.700 0.404 0.000 1.104 153 E HN -0.070 8.290 8.360 -0.000 0.000 0.403 154 P HA -0.204 4.216 4.420 -0.000 0.000 0.220 154 P C 1.243 178.853 177.300 0.516 0.000 1.144 154 P CA 0.985 64.321 63.100 0.394 0.000 0.800 154 P CB 0.190 32.131 31.700 0.402 0.000 0.772 155 Y N 0.137 120.524 120.300 0.145 0.000 2.274 155 Y HA -0.152 4.037 4.550 -0.602 0.000 0.290 155 Y C 2.061 178.091 175.900 0.216 0.000 1.145 155 Y CA 1.424 59.586 58.100 0.102 0.000 1.203 155 Y CB -0.982 37.348 38.460 -0.216 0.000 0.984 155 Y HN -0.220 8.060 8.280 -0.000 0.000 0.533 156 F N -0.854 119.327 119.950 0.384 0.000 2.293 156 F HA -0.096 4.084 4.527 -0.578 0.000 0.297 156 F C 2.539 178.587 175.800 0.414 0.000 1.089 156 F CA 1.599 59.827 58.000 0.381 0.000 1.377 156 F CB -0.673 38.640 39.000 0.522 0.000 1.051 156 F HN 0.096 8.396 8.300 -0.000 0.000 0.511 157 T N -3.690 111.211 114.554 0.579 0.000 3.037 157 T HA -0.140 3.852 4.350 -0.596 0.000 0.252 157 T C 1.886 176.757 174.700 0.286 0.000 1.073 157 T CA -0.057 62.303 62.100 0.433 0.000 1.091 157 T CB -0.772 68.299 68.868 0.339 0.000 0.935 157 T HN 0.505 8.745 8.240 -0.000 0.000 0.488 158 W N 2.889 124.300 121.300 0.187 0.000 2.321 158 W HA -0.092 4.209 4.660 -0.599 0.000 0.306 158 W C -1.652 174.861 176.519 -0.009 0.000 1.217 158 W CA 1.231 58.654 57.345 0.129 0.000 1.257 158 W CB -1.127 28.510 29.460 0.296 0.000 1.145 158 W HN 0.293 8.473 8.180 -0.000 0.000 0.509 159 P HA -0.252 4.168 4.420 -0.000 0.000 0.216 159 P C 1.793 178.941 177.300 -0.253 0.000 1.157 159 P CA 1.998 65.013 63.100 -0.142 0.000 0.880 159 P CB -0.508 31.196 31.700 0.006 0.000 0.791 160 L N -1.077 119.983 121.223 -0.272 0.000 2.109 160 L HA -0.057 3.925 4.340 -0.596 0.000 0.207 160 L C 2.133 178.680 176.870 -0.537 0.000 1.086 160 L CA 1.635 56.164 54.840 -0.519 0.000 0.760 160 L CB -1.124 40.427 42.059 -0.847 0.000 0.910 160 L HN -0.122 8.108 8.230 -0.000 0.000 0.437 161 I N -0.142 120.133 120.570 -0.491 0.000 2.315 161 I HA -0.226 3.586 4.170 -0.596 0.000 0.248 161 I C 2.399 178.133 176.117 -0.638 0.000 1.117 161 I CA 1.154 62.152 61.300 -0.503 0.000 1.404 161 I CB -0.543 37.209 38.000 -0.415 0.000 1.071 161 I HN 0.361 8.571 8.210 -0.000 0.000 0.419 162 A N 0.450 122.718 122.820 -0.920 0.000 2.123 162 A HA 0.175 4.138 4.320 -0.596 0.000 0.214 162 A C 2.499 179.876 177.584 -0.346 0.000 1.152 162 A CA 0.963 52.531 52.037 -0.782 0.000 0.728 162 A CB -0.450 17.891 19.000 -1.097 0.000 0.814 162 A HN 0.367 8.517 8.150 -0.000 0.000 0.464 163 A N 0.434 123.097 122.820 -0.262 0.000 1.884 163 A HA -0.265 3.698 4.320 -0.596 0.000 0.219 163 A C 1.648 179.228 177.584 -0.007 0.000 1.197 163 A CA 2.184 54.176 52.037 -0.075 0.000 0.637 163 A CB -0.534 18.481 19.000 0.025 0.000 0.827 163 A HN 0.427 8.577 8.150 -0.000 0.000 0.450 164 D N -2.435 117.985 120.400 0.034 0.000 2.460 164 D HA 0.376 4.659 4.640 -0.596 0.000 0.229 164 D C 0.887 177.189 176.300 0.004 0.000 1.170 164 D CA 0.994 55.008 54.000 0.024 0.000 0.827 164 D CB -0.245 40.597 40.800 0.071 0.000 0.973 164 D HN 0.563 8.933 8.370 -0.000 0.000 0.496 165 G N -1.197 107.601 108.800 -0.002 0.000 2.260 165 G HA2 -0.111 3.491 3.960 -0.596 0.000 0.179 165 G HA3 -0.111 3.491 3.960 -0.596 0.000 0.179 165 G C 0.738 175.696 174.900 0.096 0.000 1.002 165 G CA -0.260 44.877 45.100 0.061 0.000 0.677 165 G HN 0.570 8.860 8.290 -0.000 0.000 0.486 166 G N 0.068 108.831 108.800 -0.062 0.000 2.527 166 G HA2 0.720 4.322 3.960 -0.596 0.000 0.248 166 G HA3 0.720 4.322 3.960 -0.596 0.000 0.248 166 G C -0.357 174.567 174.900 0.040 0.000 1.231 166 G CA 0.400 45.416 45.100 -0.139 0.000 0.838 166 G HN 1.641 9.931 8.290 -0.000 0.000 0.570 167 Y N -2.683 117.734 120.300 0.195 0.000 2.677 167 Y HA 0.659 4.850 4.550 -0.598 0.000 0.334 167 Y C 0.632 176.670 175.900 0.231 0.000 1.196 167 Y CA -0.734 57.581 58.100 0.358 0.000 1.059 167 Y CB 0.638 39.206 38.460 0.180 0.000 1.315 167 Y HN 0.717 8.996 8.280 -0.000 0.000 0.455 168 A N 1.128 124.012 122.820 0.105 0.000 1.831 168 A HA 0.405 4.367 4.320 -0.596 0.000 0.213 168 A C -0.365 176.714 177.584 -0.842 0.000 1.223 168 A CA 1.221 52.703 52.037 -0.925 0.000 0.604 168 A CB -0.326 17.732 19.000 -1.571 0.000 0.878 168 A HN 0.561 8.711 8.150 -0.000 0.000 0.450 169 F N -0.605 119.420 119.950 0.124 0.000 2.561 169 F HA 0.412 4.579 4.527 -0.601 0.000 0.313 169 F C 0.006 176.042 175.800 0.394 0.000 1.126 169 F CA -0.895 57.252 58.000 0.245 0.000 0.918 169 F CB 1.709 40.732 39.000 0.039 0.000 1.199 169 F HN -0.054 8.246 8.300 -0.000 0.000 0.444 170 K N 1.402 122.088 120.400 0.476 0.000 2.436 170 K HA 0.011 3.974 4.320 -0.596 0.000 0.275 170 K C -0.988 175.794 176.600 0.304 0.000 0.999 170 K CA -0.037 56.334 56.287 0.141 0.000 0.980 170 K CB 0.531 33.059 32.500 0.048 0.000 0.919 170 K HN 0.620 8.870 8.250 -0.000 0.000 0.484 171 Y N 4.017 124.316 120.300 -0.002 0.000 2.907 171 Y HA 0.143 4.342 4.550 -0.586 0.000 0.332 171 Y C -0.832 174.979 175.900 -0.149 0.000 1.211 171 Y CA -0.614 57.370 58.100 -0.194 0.000 1.387 171 Y CB -0.001 38.298 38.460 -0.270 0.000 1.396 171 Y HN 0.489 8.769 8.280 -0.000 0.000 0.519 172 E N 3.105 123.161 120.200 -0.241 0.000 2.204 172 E HA 0.192 4.185 4.350 -0.596 0.000 0.276 172 E C -0.155 176.254 176.600 -0.320 0.000 0.974 172 E CA -0.880 55.370 56.400 -0.249 0.000 0.815 172 E CB 0.882 30.522 29.700 -0.099 0.000 1.119 172 E HN 0.438 8.798 8.360 -0.000 0.000 0.393 173 N N 2.000 120.518 118.700 -0.305 0.000 2.746 173 N HA -0.204 4.178 4.740 -0.596 0.000 0.250 173 N C 0.469 175.777 175.510 -0.337 0.000 1.055 173 N CA 0.983 53.883 53.050 -0.249 0.000 0.699 173 N CB -1.137 37.263 38.487 -0.147 0.000 0.919 173 N HN 1.005 9.385 8.380 -0.000 0.000 0.548 174 G N -0.390 108.072 108.800 -0.564 0.000 2.244 174 G HA2 -0.337 3.266 3.960 -0.596 0.000 0.274 174 G HA3 -0.337 3.266 3.960 -0.596 0.000 0.274 174 G C 0.200 174.851 174.900 -0.414 0.000 1.002 174 G CA 1.572 46.334 45.100 -0.563 0.000 0.740 174 G HN 0.737 9.027 8.290 -0.000 0.000 0.516 175 K N -2.236 117.856 120.400 -0.513 0.000 2.318 175 K HA 0.577 4.540 4.320 -0.596 0.000 0.265 175 K C -1.391 175.124 176.600 -0.142 0.000 1.055 175 K CA -1.069 55.125 56.287 -0.154 0.000 0.896 175 K CB 1.207 33.677 32.500 -0.050 0.000 1.479 175 K HN -0.024 8.226 8.250 -0.000 0.000 0.449 176 Y N 1.002 121.409 120.300 0.179 0.000 2.342 176 Y HA 0.112 4.303 4.550 -0.598 0.000 0.338 176 Y C -0.197 175.754 175.900 0.085 0.000 0.965 176 Y CA -0.758 57.443 58.100 0.169 0.000 1.159 176 Y CB 1.031 39.559 38.460 0.113 0.000 1.157 176 Y HN 0.407 8.687 8.280 -0.000 0.000 0.486 177 D N 4.180 124.742 120.400 0.270 0.000 2.359 177 D HA -0.039 4.243 4.640 -0.596 0.000 0.250 177 D C 1.135 177.591 176.300 0.259 0.000 1.264 177 D CA 0.143 54.263 54.000 0.200 0.000 0.911 177 D CB 0.578 41.481 40.800 0.172 0.000 1.056 177 D HN 0.657 9.027 8.370 -0.000 0.000 0.499 178 I N 4.528 125.182 120.570 0.140 0.000 2.335 178 I HA -0.222 3.590 4.170 -0.596 0.000 0.251 178 I C 1.752 178.036 176.117 0.278 0.000 1.129 178 I CA 1.617 62.972 61.300 0.092 0.000 1.402 178 I CB 0.019 37.996 38.000 -0.038 0.000 1.069 178 I HN 0.148 8.358 8.210 -0.000 0.000 0.424 179 K N 0.693 121.218 120.400 0.207 0.000 2.365 179 K HA -0.015 3.947 4.320 -0.596 0.000 0.197 179 K C 0.416 177.141 176.600 0.209 0.000 1.042 179 K CA 0.412 56.812 56.287 0.187 0.000 0.987 179 K CB -0.335 32.240 32.500 0.126 0.000 0.779 179 K HN 0.345 8.595 8.250 -0.000 0.000 0.484 180 D N 1.089 121.645 120.400 0.261 0.000 2.468 180 D HA 0.089 4.371 4.640 -0.596 0.000 0.218 180 D C -1.177 175.326 176.300 0.338 0.000 1.155 180 D CA -0.118 54.047 54.000 0.275 0.000 0.924 180 D CB 0.374 41.339 40.800 0.276 0.000 1.029 180 D HN -0.213 8.157 8.370 -0.000 0.000 0.515 181 V N 2.254 122.264 119.914 0.159 0.000 2.513 181 V HA 0.568 4.331 4.120 -0.596 0.000 0.299 181 V C 1.181 177.099 176.094 -0.293 0.000 1.035 181 V CA -0.830 61.428 62.300 -0.070 0.000 0.889 181 V CB 2.009 33.755 31.823 -0.128 0.000 0.988 181 V HN 0.558 8.748 8.190 -0.000 0.000 0.440 182 G N 2.070 110.383 108.800 -0.812 0.000 4.486 182 G HA2 0.333 3.936 3.960 -0.596 0.000 0.306 182 G HA3 0.333 3.936 3.960 -0.596 0.000 0.306 182 G C 0.689 175.331 174.900 -0.431 0.000 1.331 182 G CA 0.452 44.900 45.100 -1.086 0.000 1.113 182 G HN 0.815 9.105 8.290 -0.000 0.000 0.594 183 V N -3.345 116.475 119.914 -0.158 0.000 3.506 183 V HA 0.233 3.995 4.120 -0.596 0.000 0.263 183 V C 1.129 177.220 176.094 -0.005 0.000 1.203 183 V CA 1.279 63.605 62.300 0.044 0.000 1.133 183 V CB 0.632 32.526 31.823 0.119 0.000 0.802 183 V HN 0.166 8.356 8.190 -0.000 0.000 0.459 184 D N 1.176 121.545 120.400 -0.053 0.000 2.431 184 D HA 0.141 4.423 4.640 -0.596 0.000 0.213 184 D C 0.649 176.929 176.300 -0.034 0.000 1.130 184 D CA -0.066 53.916 54.000 -0.029 0.000 0.834 184 D CB 0.009 40.799 40.800 -0.016 0.000 0.985 184 D HN 0.783 9.153 8.370 -0.000 0.000 0.504 185 N N -0.337 118.326 118.700 -0.061 0.000 2.327 185 N HA 0.220 4.602 4.740 -0.596 0.000 0.257 185 N C 1.196 176.697 175.510 -0.016 0.000 1.281 185 N CA 0.091 53.121 53.050 -0.034 0.000 0.942 185 N CB 0.344 38.808 38.487 -0.038 0.000 1.199 185 N HN -0.140 8.240 8.380 -0.000 0.000 0.532 186 A N -0.608 122.214 122.820 0.002 0.000 1.972 186 A HA 0.035 3.997 4.320 -0.596 0.000 0.219 186 A C 2.022 179.613 177.584 0.012 0.000 1.169 186 A CA 1.691 53.734 52.037 0.010 0.000 0.635 186 A CB -1.618 17.391 19.000 0.014 0.000 0.810 186 A HN 0.803 8.953 8.150 -0.000 0.000 0.446 187 G N -0.280 108.523 108.800 0.005 0.000 2.433 187 G HA2 -0.029 3.574 3.960 -0.596 0.000 0.216 187 G HA3 -0.029 3.574 3.960 -0.596 0.000 0.216 187 G C 1.787 176.673 174.900 -0.023 0.000 1.186 187 G CA 1.500 46.602 45.100 0.004 0.000 0.779 187 G HN 0.790 9.080 8.290 -0.000 0.000 0.543 188 A N 0.775 123.555 122.820 -0.067 0.000 1.902 188 A HA -0.022 3.941 4.320 -0.596 0.000 0.217 188 A C 2.316 179.866 177.584 -0.057 0.000 1.181 188 A CA 2.038 54.012 52.037 -0.105 0.000 0.623 188 A CB -0.367 18.581 19.000 -0.086 0.000 0.818 188 A HN 0.401 8.551 8.150 -0.000 0.000 0.443 189 K N -0.276 120.113 120.400 -0.019 0.000 2.057 189 K HA -0.081 3.882 4.320 -0.596 0.000 0.207 189 K C 2.328 178.944 176.600 0.026 0.000 1.049 189 K CA 1.159 57.447 56.287 0.002 0.000 0.931 189 K CB -0.358 32.149 32.500 0.011 0.000 0.714 189 K HN 0.442 8.692 8.250 -0.000 0.000 0.440 190 A N 1.365 124.224 122.820 0.065 0.000 1.902 190 A HA -0.110 3.853 4.320 -0.596 0.000 0.217 190 A C 2.429 180.102 177.584 0.148 0.000 1.181 190 A CA 2.004 54.141 52.037 0.168 0.000 0.623 190 A CB -1.262 17.873 19.000 0.225 0.000 0.818 190 A HN 0.434 8.584 8.150 -0.000 0.000 0.443 191 G N -0.219 108.573 108.800 -0.013 0.000 2.453 191 G HA2 -0.154 3.449 3.960 -0.596 0.000 0.215 191 G HA3 -0.154 3.449 3.960 -0.596 0.000 0.215 191 G C 1.477 176.198 174.900 -0.298 0.000 1.201 191 G CA 1.198 46.068 45.100 -0.383 0.000 0.784 191 G HN 0.505 8.795 8.290 -0.000 0.000 0.545 192 L N 1.015 122.145 121.223 -0.155 0.000 2.131 192 L HA 0.014 3.996 4.340 -0.596 0.000 0.210 192 L C 2.828 179.663 176.870 -0.059 0.000 1.092 192 L CA 2.425 57.208 54.840 -0.096 0.000 0.759 192 L CB -0.923 41.108 42.059 -0.047 0.000 0.903 192 L HN 0.191 8.421 8.230 -0.000 0.000 0.435 193 T N -0.838 113.705 114.554 -0.018 0.000 2.821 193 T HA -0.199 3.794 4.350 -0.596 0.000 0.267 193 T C 1.602 176.317 174.700 0.025 0.000 1.046 193 T CA 1.720 63.831 62.100 0.018 0.000 1.139 193 T CB -0.479 68.427 68.868 0.064 0.000 0.871 193 T HN 0.397 8.637 8.240 -0.000 0.000 0.454 194 F N 1.431 121.307 119.950 -0.124 0.000 2.186 194 F HA 0.010 4.179 4.527 -0.597 0.000 0.299 194 F C 1.893 177.608 175.800 -0.141 0.000 1.090 194 F CA 0.615 58.537 58.000 -0.129 0.000 1.307 194 F CB -0.373 38.424 39.000 -0.338 0.000 1.019 194 F HN 0.031 8.331 8.300 -0.000 0.000 0.489 195 L N -0.174 120.974 121.223 -0.126 0.000 2.027 195 L HA -0.121 3.861 4.340 -0.596 0.000 0.206 195 L C 2.213 179.007 176.870 -0.126 0.000 1.074 195 L CA 1.602 56.362 54.840 -0.134 0.000 0.745 195 L CB -0.981 41.019 42.059 -0.097 0.000 0.898 195 L HN 0.031 8.261 8.230 -0.000 0.000 0.433 196 V N -0.112 119.744 119.914 -0.097 0.000 2.490 196 V HA -0.257 3.506 4.120 -0.596 0.000 0.250 196 V C 2.185 178.225 176.094 -0.090 0.000 1.061 196 V CA 1.783 64.039 62.300 -0.074 0.000 1.064 196 V CB -0.787 31.008 31.823 -0.047 0.000 0.670 196 V HN 0.451 8.641 8.190 -0.000 0.000 0.461 197 D N 0.022 120.343 120.400 -0.132 0.000 2.117 197 D HA -0.095 4.187 4.640 -0.596 0.000 0.198 197 D C 2.148 178.367 176.300 -0.134 0.000 0.982 197 D CA 1.025 54.946 54.000 -0.131 0.000 0.828 197 D CB -0.226 40.479 40.800 -0.158 0.000 0.967 197 D HN 0.320 8.690 8.370 -0.000 0.000 0.464 198 L N 0.349 121.444 121.223 -0.212 0.000 2.079 198 L HA -0.156 3.827 4.340 -0.596 0.000 0.210 198 L C 2.402 179.272 176.870 0.000 0.000 1.081 198 L CA 0.813 55.608 54.840 -0.076 0.000 0.752 198 L CB -0.227 41.774 42.059 -0.096 0.000 0.896 198 L HN 0.058 8.288 8.230 -0.000 0.000 0.433 199 I N -0.609 119.935 120.570 -0.043 0.000 2.233 199 I HA -0.250 3.563 4.170 -0.596 0.000 0.243 199 I C 2.470 178.557 176.117 -0.051 0.000 1.093 199 I CA 1.155 62.432 61.300 -0.039 0.000 1.380 199 I CB -0.257 37.713 38.000 -0.049 0.000 1.067 199 I HN 0.153 8.363 8.210 -0.000 0.000 0.413 200 K N 0.911 121.278 120.400 -0.055 0.000 2.152 200 K HA -0.161 3.802 4.320 -0.596 0.000 0.206 200 K C 1.302 177.860 176.600 -0.071 0.000 1.048 200 K CA 1.560 57.814 56.287 -0.054 0.000 0.933 200 K CB -0.381 32.091 32.500 -0.046 0.000 0.721 200 K HN 0.450 8.700 8.250 -0.000 0.000 0.447 201 N N 0.534 119.182 118.700 -0.087 0.000 2.449 201 N HA -0.006 4.377 4.740 -0.596 0.000 0.191 201 N C -0.551 174.791 175.510 -0.281 0.000 1.161 201 N CA -0.085 52.873 53.050 -0.153 0.000 0.863 201 N CB 0.387 38.805 38.487 -0.115 0.000 0.980 201 N HN -0.041 8.339 8.380 -0.000 0.000 0.458 202 K N -0.091 120.202 120.400 -0.178 0.000 3.230 202 K HA -0.202 3.760 4.320 -0.596 0.000 0.285 202 K C -0.206 176.290 176.600 -0.173 0.000 1.196 202 K CA 0.590 56.780 56.287 -0.160 0.000 0.838 202 K CB -2.115 30.294 32.500 -0.152 0.000 1.262 202 K HN 0.531 8.781 8.250 -0.000 0.000 0.492 203 H N -1.164 117.901 119.070 -0.009 0.000 2.525 203 H HA 0.266 4.465 4.556 -0.596 0.000 0.275 203 H C 0.971 176.316 175.328 0.028 0.000 0.984 203 H CA 0.715 56.771 56.048 0.014 0.000 1.264 203 H CB 0.417 30.189 29.762 0.017 0.000 1.432 203 H HN 0.242 8.522 8.280 -0.000 0.000 0.549 204 M N 0.274 119.938 119.600 0.106 0.000 2.618 204 M HA 0.252 4.375 4.480 -0.596 0.000 0.281 204 M C -0.895 175.403 176.300 -0.003 0.000 1.267 204 M CA -0.836 54.497 55.300 0.054 0.000 0.845 204 M CB 2.536 35.167 32.600 0.051 0.000 1.732 204 M HN -0.140 8.150 8.290 -0.000 0.000 0.461 205 N N 0.463 119.146 118.700 -0.028 0.000 2.399 205 N HA 0.438 4.821 4.740 -0.596 0.000 0.295 205 N C 0.357 175.830 175.510 -0.063 0.000 1.048 205 N CA -0.199 52.826 53.050 -0.040 0.000 0.886 205 N CB 1.821 40.288 38.487 -0.033 0.000 1.185 205 N HN 0.821 9.201 8.380 -0.000 0.000 0.487 206 A N 1.484 124.271 122.820 -0.056 0.000 1.978 206 A HA -0.216 3.746 4.320 -0.596 0.000 0.220 206 A C 1.141 178.687 177.584 -0.064 0.000 1.170 206 A CA 1.813 53.814 52.037 -0.061 0.000 0.636 206 A CB -0.364 18.609 19.000 -0.045 0.000 0.810 206 A HN 0.749 8.899 8.150 -0.000 0.000 0.448 207 D N -1.167 119.201 120.400 -0.053 0.000 2.328 207 D HA 0.050 4.332 4.640 -0.596 0.000 0.226 207 D C 0.030 176.296 176.300 -0.057 0.000 1.066 207 D CA 0.313 54.285 54.000 -0.047 0.000 0.861 207 D CB -1.104 39.677 40.800 -0.031 0.000 0.912 207 D HN 0.128 8.498 8.370 -0.000 0.000 0.521 208 T N 1.958 116.462 114.554 -0.082 0.000 2.853 208 T HA 0.266 4.259 4.350 -0.596 0.000 0.298 208 T C -0.038 174.591 174.700 -0.118 0.000 0.978 208 T CA -0.040 62.002 62.100 -0.097 0.000 1.152 208 T CB 0.750 69.542 68.868 -0.126 0.000 0.914 208 T HN 0.391 8.631 8.240 -0.000 0.000 0.539 209 D N 1.442 121.792 120.400 -0.084 0.000 2.712 209 D HA 0.187 4.469 4.640 -0.596 0.000 0.252 209 D C 1.025 177.281 176.300 -0.075 0.000 1.123 209 D CA -0.922 53.036 54.000 -0.069 0.000 1.109 209 D CB 0.022 40.816 40.800 -0.009 0.000 1.313 209 D HN 0.320 8.690 8.370 -0.000 0.000 0.629 210 Y N 0.264 120.487 120.300 -0.129 0.000 2.070 210 Y HA -0.214 3.977 4.550 -0.599 0.000 0.280 210 Y C 2.747 178.625 175.900 -0.038 0.000 1.148 210 Y CA 2.663 60.698 58.100 -0.110 0.000 1.125 210 Y CB -0.524 37.899 38.460 -0.061 0.000 0.975 210 Y HN 0.338 8.618 8.280 -0.000 0.000 0.492 211 S N -0.063 115.759 115.700 0.204 0.000 2.365 211 S HA -0.198 3.914 4.470 -0.596 0.000 0.225 211 S C 1.932 176.552 174.600 0.032 0.000 1.039 211 S CA 1.627 59.907 58.200 0.134 0.000 1.033 211 S CB -0.560 62.703 63.200 0.106 0.000 0.887 211 S HN 0.419 8.729 8.310 -0.000 0.000 0.447 212 I N 1.658 122.230 120.570 0.004 0.000 2.163 212 I HA -0.174 3.638 4.170 -0.596 0.000 0.243 212 I C 2.728 178.828 176.117 -0.028 0.000 1.085 212 I CA 1.611 62.903 61.300 -0.013 0.000 1.347 212 I CB -1.883 36.102 38.000 -0.024 0.000 1.044 212 I HN 0.294 8.504 8.210 -0.000 0.000 0.408 213 A N 0.357 123.130 122.820 -0.078 0.000 1.898 213 A HA -0.229 3.733 4.320 -0.596 0.000 0.216 213 A C 2.392 179.943 177.584 -0.055 0.000 1.181 213 A CA 1.706 53.700 52.037 -0.071 0.000 0.620 213 A CB -0.677 18.243 19.000 -0.133 0.000 0.819 213 A HN 0.528 8.678 8.150 -0.000 0.000 0.442 214 E N -0.051 120.066 120.200 -0.139 0.000 2.077 214 E HA -0.124 3.869 4.350 -0.596 0.000 0.193 214 E C 2.115 178.738 176.600 0.037 0.000 0.989 214 E CA 1.069 57.420 56.400 -0.081 0.000 0.800 214 E CB -0.264 29.369 29.700 -0.112 0.000 0.746 214 E HN 0.520 8.880 8.360 -0.000 0.000 0.452 215 A N 1.203 124.041 122.820 0.031 0.000 1.902 215 A HA -0.099 3.863 4.320 -0.596 0.000 0.217 215 A C 2.406 180.018 177.584 0.046 0.000 1.181 215 A CA 1.814 53.876 52.037 0.042 0.000 0.623 215 A CB -0.809 18.210 19.000 0.032 0.000 0.818 215 A HN 0.426 8.576 8.150 -0.000 0.000 0.443 216 A N -1.337 121.514 122.820 0.051 0.000 1.902 216 A HA -0.059 3.904 4.320 -0.596 0.000 0.217 216 A C 2.085 179.718 177.584 0.081 0.000 1.181 216 A CA 1.652 53.723 52.037 0.057 0.000 0.623 216 A CB -0.675 18.362 19.000 0.062 0.000 0.818 216 A HN 0.677 8.827 8.150 -0.000 0.000 0.443 217 F N 1.097 121.035 119.950 -0.021 0.000 2.163 217 F HA -0.067 4.106 4.527 -0.590 0.000 0.297 217 F C 1.908 177.691 175.800 -0.028 0.000 1.094 217 F CA 1.762 59.750 58.000 -0.020 0.000 1.290 217 F CB -0.309 38.672 39.000 -0.032 0.000 1.017 217 F HN 0.289 8.589 8.300 -0.000 0.000 0.483 218 N N -0.076 118.702 118.700 0.130 0.000 2.512 218 N HA -0.110 4.272 4.740 -0.596 0.000 0.183 218 N C 0.864 176.346 175.510 -0.047 0.000 1.073 218 N CA 0.531 53.603 53.050 0.037 0.000 0.911 218 N CB -0.062 38.476 38.487 0.085 0.000 0.964 218 N HN 0.313 8.693 8.380 -0.000 0.000 0.447 219 K N 0.042 120.410 120.400 -0.053 0.000 2.372 219 K HA 0.148 4.111 4.320 -0.596 0.000 0.200 219 K C 0.581 177.126 176.600 -0.092 0.000 1.022 219 K CA -0.107 56.148 56.287 -0.053 0.000 1.125 219 K CB 0.954 33.442 32.500 -0.020 0.000 0.855 219 K HN 0.080 8.330 8.250 -0.000 0.000 0.524 220 G N 2.206 110.901 108.800 -0.175 0.000 2.273 220 G HA2 -0.294 3.309 3.960 -0.596 0.000 0.280 220 G HA3 -0.294 3.309 3.960 -0.596 0.000 0.280 220 G C 0.227 175.056 174.900 -0.119 0.000 1.047 220 G CA 0.512 45.491 45.100 -0.202 0.000 0.869 220 G HN 0.510 8.800 8.290 -0.000 0.000 0.502 221 E N -1.298 118.852 120.200 -0.083 0.000 2.431 221 E HA 0.154 4.147 4.350 -0.596 0.000 0.200 221 E C 0.949 177.547 176.600 -0.002 0.000 0.995 221 E CA 0.674 57.056 56.400 -0.030 0.000 0.915 221 E CB 0.845 30.541 29.700 -0.008 0.000 0.930 221 E HN 0.319 8.679 8.360 -0.000 0.000 0.496 222 T N -0.869 113.688 114.554 0.003 0.000 2.886 222 T HA 0.472 4.464 4.350 -0.596 0.000 0.292 222 T C 0.340 175.093 174.700 0.088 0.000 1.012 222 T CA -0.218 61.928 62.100 0.077 0.000 0.982 222 T CB 1.678 70.636 68.868 0.150 0.000 1.018 222 T HN 0.002 8.242 8.240 -0.000 0.000 0.451 223 A N 4.599 127.489 122.820 0.117 0.000 2.066 223 A HA 0.381 4.343 4.320 -0.596 0.000 0.218 223 A C 0.800 178.589 177.584 0.342 0.000 1.157 223 A CA 0.884 53.009 52.037 0.148 0.000 0.670 223 A CB -0.274 18.792 19.000 0.110 0.000 0.804 223 A HN 0.761 8.911 8.150 -0.000 0.000 0.453 224 M N -2.787 117.027 119.600 0.357 0.000 2.622 224 M HA 0.511 4.633 4.480 -0.596 0.000 0.276 224 M C -0.595 175.831 176.300 0.209 0.000 1.265 224 M CA -0.301 55.193 55.300 0.323 0.000 0.850 224 M CB 2.472 35.148 32.600 0.126 0.000 1.720 224 M HN 0.028 8.318 8.290 -0.000 0.000 0.465 225 T N 0.550 115.073 114.554 -0.052 0.000 2.792 225 T HA 0.768 4.761 4.350 -0.596 0.000 0.303 225 T C -2.100 172.521 174.700 -0.132 0.000 1.310 225 T CA -0.564 61.484 62.100 -0.087 0.000 1.007 225 T CB 1.465 70.166 68.868 -0.278 0.000 1.335 225 T HN 0.587 8.827 8.240 -0.000 0.000 0.504 226 I N 3.410 123.964 120.570 -0.027 0.000 2.447 226 I HA 0.553 4.366 4.170 -0.596 0.000 0.287 226 I C -0.291 175.941 176.117 0.191 0.000 1.023 226 I CA -0.772 60.526 61.300 -0.002 0.000 1.083 226 I CB 1.769 39.687 38.000 -0.137 0.000 1.245 226 I HN 0.504 8.714 8.210 -0.000 0.000 0.434 227 N N 2.804 121.556 118.700 0.086 0.000 3.020 227 N HA 0.503 4.886 4.740 -0.596 0.000 0.248 227 N C -0.832 174.513 175.510 -0.276 0.000 1.480 227 N CA -0.343 52.758 53.050 0.085 0.000 0.874 227 N CB 2.484 40.946 38.487 -0.043 0.000 1.433 227 N HN 0.656 9.036 8.380 -0.000 0.000 0.530 228 G N 0.124 108.368 108.800 -0.926 0.000 2.531 228 G HA2 0.435 4.038 3.960 -0.596 0.000 0.313 228 G HA3 0.435 4.038 3.960 -0.596 0.000 0.313 228 G C -1.857 172.028 174.900 -1.691 0.000 1.238 228 G CA -1.008 43.148 45.100 -1.573 0.000 0.994 228 G HN 0.330 8.620 8.290 -0.000 0.000 0.493 229 P HA -0.117 4.303 4.420 -0.000 0.000 0.218 229 P C 1.419 177.946 177.300 -1.288 0.000 1.148 229 P CA 1.653 63.526 63.100 -2.045 0.000 0.822 229 P CB -0.027 30.893 31.700 -1.300 0.000 0.784 230 W N 0.040 121.059 121.300 -0.467 0.000 2.387 230 W HA -0.035 4.231 4.660 -0.657 0.000 0.272 230 W C 1.808 178.280 176.519 -0.079 0.000 1.224 230 W CA 0.998 58.243 57.345 -0.166 0.000 1.210 230 W CB -1.908 27.577 29.460 0.041 0.000 1.125 230 W HN -0.126 8.054 8.180 -0.000 0.000 0.572 231 A N -0.095 122.469 122.820 -0.427 0.000 2.123 231 A HA 0.035 3.997 4.320 -0.596 0.000 0.214 231 A C 1.570 179.177 177.584 0.039 0.000 1.152 231 A CA 0.810 52.804 52.037 -0.072 0.000 0.728 231 A CB -1.154 17.756 19.000 -0.150 0.000 0.814 231 A HN 0.401 8.551 8.150 -0.000 0.000 0.464 232 W N 0.412 121.651 121.300 -0.103 0.000 2.342 232 W HA -0.149 4.173 4.660 -0.564 0.000 0.297 232 W C 2.761 179.272 176.519 -0.013 0.000 1.213 232 W CA 0.708 58.005 57.345 -0.079 0.000 1.251 232 W CB -1.495 27.981 29.460 0.027 0.000 1.136 232 W HN 0.442 8.622 8.180 -0.000 0.000 0.526 233 S N 0.977 116.823 115.700 0.243 0.000 2.359 233 S HA -0.236 3.877 4.470 -0.596 0.000 0.223 233 S C 1.771 176.446 174.600 0.125 0.000 1.039 233 S CA 2.015 60.318 58.200 0.171 0.000 1.042 233 S CB -0.454 62.826 63.200 0.134 0.000 0.915 233 S HN 0.172 8.482 8.310 -0.000 0.000 0.439 234 N N 1.286 120.053 118.700 0.112 0.000 2.309 234 N HA 0.060 4.443 4.740 -0.596 0.000 0.182 234 N C 1.701 177.250 175.510 0.065 0.000 1.018 234 N CA 1.236 54.339 53.050 0.089 0.000 0.876 234 N CB -0.480 38.070 38.487 0.105 0.000 0.972 234 N HN 0.560 8.940 8.380 -0.000 0.000 0.434 235 I N 0.611 121.198 120.570 0.029 0.000 2.406 235 I HA -0.152 3.660 4.170 -0.596 0.000 0.249 235 I C 1.352 177.487 176.117 0.029 0.000 1.122 235 I CA 0.801 62.072 61.300 -0.049 0.000 1.431 235 I CB -0.171 37.599 38.000 -0.383 0.000 1.087 235 I HN -0.074 8.136 8.210 -0.000 0.000 0.424 236 D N 0.856 121.320 120.400 0.107 0.000 2.144 236 D HA -0.142 4.141 4.640 -0.596 0.000 0.199 236 D C 2.196 178.561 176.300 0.109 0.000 0.984 236 D CA 1.548 55.652 54.000 0.174 0.000 0.834 236 D CB -0.290 40.613 40.800 0.172 0.000 0.955 236 D HN 0.258 8.628 8.370 -0.000 0.000 0.465 237 T N 0.516 115.120 114.554 0.083 0.000 2.708 237 T HA -0.152 3.841 4.350 -0.596 0.000 0.266 237 T C 2.136 176.865 174.700 0.049 0.000 1.037 237 T CA 1.840 63.976 62.100 0.061 0.000 1.146 237 T CB -0.300 68.600 68.868 0.055 0.000 0.865 237 T HN 0.243 8.483 8.240 -0.000 0.000 0.435 238 S N 1.169 116.898 115.700 0.048 0.000 2.440 238 S HA -0.130 3.982 4.470 -0.596 0.000 0.238 238 S C 1.110 175.726 174.600 0.027 0.000 1.010 238 S CA 1.210 59.428 58.200 0.030 0.000 0.972 238 S CB -0.456 62.757 63.200 0.021 0.000 0.774 238 S HN 0.594 8.904 8.310 -0.000 0.000 0.501 239 K N -0.817 119.615 120.400 0.052 0.000 3.446 239 K HA -0.111 3.851 4.320 -0.596 0.000 0.312 239 K C -0.488 176.141 176.600 0.047 0.000 1.329 239 K CA 0.676 56.994 56.287 0.051 0.000 0.935 239 K CB -2.465 30.049 32.500 0.024 0.000 1.281 239 K HN 0.398 8.648 8.250 -0.000 0.000 0.457 240 V N 2.356 122.300 119.914 0.050 0.000 2.540 240 V HA -0.036 3.726 4.120 -0.596 0.000 0.297 240 V C 0.800 176.973 176.094 0.132 0.000 1.024 240 V CA -0.033 62.277 62.300 0.016 0.000 1.105 240 V CB 0.879 32.642 31.823 -0.101 0.000 0.938 240 V HN 0.216 8.406 8.190 -0.000 0.000 0.482 241 N N 5.612 124.332 118.700 0.033 0.000 2.402 241 N HA 0.172 4.554 4.740 -0.596 0.000 0.259 241 N C -0.800 174.710 175.510 -0.001 0.000 1.167 241 N CA -0.135 52.908 53.050 -0.011 0.000 0.949 241 N CB -0.040 38.412 38.487 -0.058 0.000 1.212 241 N HN 0.578 8.958 8.380 -0.000 0.000 0.493 242 Y N 0.729 120.947 120.300 -0.137 0.000 2.598 242 Y HA 0.894 5.085 4.550 -0.599 0.000 0.340 242 Y C 0.236 175.902 175.900 -0.391 0.000 1.038 242 Y CA -1.564 56.421 58.100 -0.192 0.000 1.100 242 Y CB 0.813 39.305 38.460 0.053 0.000 1.281 242 Y HN 0.297 8.577 8.280 -0.000 0.000 0.488 243 G N 0.199 108.608 108.800 -0.652 0.000 2.533 243 G HA2 0.594 4.196 3.960 -0.596 0.000 0.304 243 G HA3 0.594 4.196 3.960 -0.596 0.000 0.304 243 G C -2.112 172.642 174.900 -0.243 0.000 1.263 243 G CA -1.186 43.464 45.100 -0.749 0.000 0.964 243 G HN 0.680 8.970 8.290 -0.000 0.000 0.479 244 V N 0.674 120.556 119.914 -0.054 0.000 2.407 244 V HA 0.703 4.466 4.120 -0.596 0.000 0.291 244 V C 0.215 176.392 176.094 0.138 0.000 1.018 244 V CA -0.454 61.891 62.300 0.075 0.000 0.842 244 V CB 0.928 32.710 31.823 -0.069 0.000 0.996 244 V HN 0.946 9.136 8.190 -0.000 0.000 0.426 245 T N 3.118 117.782 114.554 0.184 0.000 2.669 245 T HA 0.642 4.634 4.350 -0.596 0.000 0.283 245 T C -0.528 174.193 174.700 0.035 0.000 1.019 245 T CA -0.328 61.828 62.100 0.094 0.000 1.039 245 T CB 1.948 70.848 68.868 0.053 0.000 1.374 245 T HN 0.280 8.520 8.240 -0.000 0.000 0.523 246 V N 2.567 122.476 119.914 -0.007 0.000 2.924 246 V HA 0.294 4.057 4.120 -0.596 0.000 0.305 246 V C 0.484 176.541 176.094 -0.063 0.000 1.073 246 V CA -0.322 61.967 62.300 -0.019 0.000 1.098 246 V CB 0.484 32.294 31.823 -0.023 0.000 1.000 246 V HN 0.637 8.827 8.190 -0.000 0.000 0.484 247 L N 6.375 127.569 121.223 -0.049 0.000 2.426 247 L HA 0.258 4.241 4.340 -0.596 0.000 0.271 247 L C -1.726 175.067 176.870 -0.128 0.000 1.169 247 L CA -1.393 53.388 54.840 -0.098 0.000 0.836 247 L CB 0.186 42.245 42.059 -0.000 0.000 1.112 247 L HN 0.492 8.722 8.230 -0.000 0.000 0.465 248 P HA 0.013 4.433 4.420 -0.000 0.000 0.271 248 P C -0.416 176.881 177.300 -0.005 0.000 1.238 248 P CA -0.329 62.598 63.100 -0.289 0.000 0.794 248 P CB 0.240 31.563 31.700 -0.628 0.000 0.959 249 T N -2.177 112.413 114.554 0.060 0.000 2.902 249 T HA 0.554 4.546 4.350 -0.596 0.000 0.280 249 T C -0.779 174.116 174.700 0.325 0.000 0.992 249 T CA -0.499 61.699 62.100 0.162 0.000 1.015 249 T CB 0.581 69.477 68.868 0.047 0.000 1.044 249 T HN 0.279 8.519 8.240 -0.000 0.000 0.520 250 F N 1.456 121.432 119.950 0.043 0.000 2.536 250 F HA 0.502 4.671 4.527 -0.596 0.000 0.322 250 F C 0.448 176.179 175.800 -0.115 0.000 1.144 250 F CA -1.386 56.557 58.000 -0.096 0.000 0.924 250 F CB 1.169 40.018 39.000 -0.252 0.000 1.181 250 F HN 0.914 9.214 8.300 -0.000 0.000 0.438 251 K N 4.464 124.456 120.400 -0.681 0.000 3.071 251 K HA -0.204 3.758 4.320 -0.596 0.000 0.265 251 K C 0.967 177.407 176.600 -0.266 0.000 1.060 251 K CA 0.871 56.823 56.287 -0.557 0.000 0.767 251 K CB -1.575 30.483 32.500 -0.736 0.000 1.241 251 K HN 1.421 9.671 8.250 -0.000 0.000 0.486 252 G N -0.724 107.978 108.800 -0.164 0.000 2.245 252 G HA2 -0.333 3.269 3.960 -0.596 0.000 0.264 252 G HA3 -0.333 3.269 3.960 -0.596 0.000 0.264 252 G C -0.019 174.847 174.900 -0.058 0.000 0.985 252 G CA 0.677 45.723 45.100 -0.090 0.000 0.625 252 G HN 0.309 8.599 8.290 -0.000 0.000 0.536 253 Q N 1.206 120.972 119.800 -0.058 0.000 2.230 253 Q HA 0.447 4.430 4.340 -0.596 0.000 0.248 253 Q C -2.274 173.740 176.000 0.023 0.000 0.915 253 Q CA -1.853 53.937 55.803 -0.021 0.000 0.900 253 Q CB 1.708 30.430 28.738 -0.027 0.000 1.229 253 Q HN 0.364 8.634 8.270 -0.000 0.000 0.439 254 P HA 0.062 4.482 4.420 -0.000 0.000 0.275 254 P C -0.563 176.764 177.300 0.045 0.000 1.228 254 P CA -0.161 62.960 63.100 0.034 0.000 0.786 254 P CB 0.731 32.441 31.700 0.016 0.000 0.927 255 S N 2.207 117.955 115.700 0.080 0.000 2.531 255 S HA 0.094 4.207 4.470 -0.596 0.000 0.279 255 S C 0.408 175.016 174.600 0.013 0.000 1.305 255 S CA -0.266 57.974 58.200 0.067 0.000 1.058 255 S CB -0.138 63.164 63.200 0.169 0.000 0.899 255 S HN 0.269 8.579 8.310 -0.000 0.000 0.493 256 K N 4.556 124.925 120.400 -0.053 0.000 2.244 256 K HA 0.228 4.191 4.320 -0.596 0.000 0.263 256 K C -2.472 174.112 176.600 -0.027 0.000 1.103 256 K CA -1.699 54.563 56.287 -0.041 0.000 0.966 256 K CB 0.488 32.942 32.500 -0.077 0.000 1.429 256 K HN 0.401 8.651 8.250 -0.000 0.000 0.434 257 P HA 0.016 4.436 4.420 -0.000 0.000 0.276 257 P C -0.648 176.815 177.300 0.272 0.000 1.243 257 P CA -0.286 62.878 63.100 0.107 0.000 0.768 257 P CB 0.438 32.193 31.700 0.091 0.000 0.856 258 F N 3.275 123.390 119.950 0.276 0.000 2.506 258 F HA 0.034 4.204 4.527 -0.595 0.000 0.371 258 F C 0.779 176.816 175.800 0.395 0.000 1.078 258 F CA -0.484 57.746 58.000 0.384 0.000 1.195 258 F CB 0.268 39.599 39.000 0.553 0.000 1.099 258 F HN 0.065 8.365 8.300 -0.000 0.000 0.548 259 V N 4.481 124.710 119.914 0.526 0.000 2.530 259 V HA 0.523 4.285 4.120 -0.596 0.000 0.282 259 V C 0.674 176.932 176.094 0.274 0.000 1.048 259 V CA -0.536 61.969 62.300 0.341 0.000 0.997 259 V CB 0.813 32.767 31.823 0.218 0.000 0.987 259 V HN 0.854 9.044 8.190 -0.000 0.000 0.477 260 G N 3.085 111.913 108.800 0.047 0.000 2.420 260 G HA2 0.606 4.209 3.960 -0.596 0.000 0.331 260 G HA3 0.606 4.209 3.960 -0.596 0.000 0.331 260 G C -1.154 173.422 174.900 -0.539 0.000 1.168 260 G CA -0.516 44.468 45.100 -0.193 0.000 0.936 260 G HN 0.558 8.848 8.290 -0.000 0.000 0.479 261 V N 2.869 122.626 119.914 -0.262 0.000 2.349 261 V HA 0.216 3.978 4.120 -0.596 0.000 0.284 261 V C -0.011 175.921 176.094 -0.270 0.000 1.014 261 V CA -0.783 61.288 62.300 -0.383 0.000 0.826 261 V CB 1.025 32.544 31.823 -0.507 0.000 1.009 261 V HN 0.724 8.914 8.190 -0.000 0.000 0.431 262 L N 5.571 126.640 121.223 -0.257 0.000 2.513 262 L HA 0.368 4.350 4.340 -0.596 0.000 0.272 262 L C 0.310 177.105 176.870 -0.125 0.000 1.187 262 L CA 1.288 56.078 54.840 -0.084 0.000 0.895 262 L CB 0.517 42.557 42.059 -0.032 0.000 1.147 262 L HN 0.715 8.945 8.230 -0.000 0.000 0.483 263 S N 3.335 118.936 115.700 -0.165 0.000 2.599 263 S HA 0.891 5.004 4.470 -0.596 0.000 0.287 263 S C -0.801 173.620 174.600 -0.298 0.000 1.105 263 S CA -0.354 57.641 58.200 -0.341 0.000 0.899 263 S CB 1.821 64.569 63.200 -0.752 0.000 1.100 263 S HN 0.940 9.250 8.310 -0.000 0.000 0.482 264 A N 1.275 123.888 122.820 -0.346 0.000 2.267 264 A HA 0.762 4.725 4.320 -0.596 0.000 0.315 264 A C 0.188 177.755 177.584 -0.028 0.000 1.297 264 A CA -0.598 51.124 52.037 -0.524 0.000 0.865 264 A CB 0.287 18.730 19.000 -0.928 0.000 1.165 264 A HN 0.914 9.064 8.150 -0.000 0.000 0.513 265 G N 1.654 110.572 108.800 0.196 0.000 2.388 265 G HA2 0.569 4.172 3.960 -0.596 0.000 0.330 265 G HA3 0.569 4.172 3.960 -0.596 0.000 0.330 265 G C -0.465 174.478 174.900 0.071 0.000 1.142 265 G CA -0.594 44.680 45.100 0.289 0.000 0.908 265 G HN 0.685 8.975 8.290 -0.000 0.000 0.473 266 I N 1.952 122.587 120.570 0.108 0.000 2.365 266 I HA 0.101 3.913 4.170 -0.596 0.000 0.291 266 I C 0.210 176.369 176.117 0.071 0.000 1.004 266 I CA -0.952 60.388 61.300 0.066 0.000 1.311 266 I CB 1.374 39.429 38.000 0.092 0.000 1.401 266 I HN 0.346 8.556 8.210 -0.000 0.000 0.491 267 N N 4.566 123.299 118.700 0.054 0.000 2.454 267 N HA 0.042 4.424 4.740 -0.596 0.000 0.260 267 N C 0.761 176.293 175.510 0.037 0.000 1.218 267 N CA 0.235 53.337 53.050 0.086 0.000 0.904 267 N CB 1.530 40.035 38.487 0.029 0.000 1.065 267 N HN 0.765 9.145 8.380 -0.000 0.000 0.462 268 A N 3.450 126.292 122.820 0.035 0.000 2.121 268 A HA 0.024 3.987 4.320 -0.596 0.000 0.218 268 A C 1.599 179.173 177.584 -0.017 0.000 1.154 268 A CA 1.550 53.596 52.037 0.014 0.000 0.679 268 A CB -0.304 18.705 19.000 0.014 0.000 0.795 268 A HN 0.728 8.878 8.150 -0.000 0.000 0.458 269 A N -0.843 121.951 122.820 -0.045 0.000 2.348 269 A HA 0.423 4.386 4.320 -0.596 0.000 0.224 269 A C 1.143 178.694 177.584 -0.055 0.000 1.227 269 A CA 0.566 52.567 52.037 -0.061 0.000 0.885 269 A CB -0.330 18.610 19.000 -0.098 0.000 0.933 269 A HN 0.395 8.545 8.150 -0.000 0.000 0.506 270 S N 1.566 117.240 115.700 -0.042 0.000 2.531 270 S HA 0.324 4.436 4.470 -0.596 0.000 0.279 270 S C -1.619 172.965 174.600 -0.027 0.000 1.305 270 S CA -0.949 57.226 58.200 -0.042 0.000 1.058 270 S CB 0.763 63.942 63.200 -0.035 0.000 0.899 270 S HN 0.304 8.614 8.310 -0.000 0.000 0.493 271 P HA 0.256 4.676 4.420 -0.000 0.000 0.254 271 P C -0.580 176.715 177.300 -0.008 0.000 1.494 271 P CA -0.093 62.997 63.100 -0.017 0.000 0.961 271 P CB -0.071 31.616 31.700 -0.022 0.000 1.493 272 N N 0.351 119.047 118.700 -0.008 0.000 2.451 272 N HA 0.111 4.494 4.740 -0.596 0.000 0.271 272 N C 0.987 176.505 175.510 0.012 0.000 1.410 272 N CA -0.259 52.793 53.050 0.004 0.000 0.884 272 N CB 0.636 39.121 38.487 -0.004 0.000 1.332 272 N HN 0.131 8.511 8.380 -0.000 0.000 0.498 273 K N 0.646 121.055 120.400 0.016 0.000 2.103 273 K HA -0.189 3.774 4.320 -0.596 0.000 0.207 273 K C 1.584 178.208 176.600 0.040 0.000 1.048 273 K CA 1.281 57.585 56.287 0.029 0.000 0.930 273 K CB 0.299 32.818 32.500 0.031 0.000 0.716 273 K HN 0.049 8.299 8.250 -0.000 0.000 0.444 274 E N 1.473 121.698 120.200 0.041 0.000 2.047 274 E HA -0.106 3.886 4.350 -0.596 0.000 0.191 274 E C 1.863 178.506 176.600 0.072 0.000 0.987 274 E CA 1.157 57.588 56.400 0.052 0.000 0.799 274 E CB -0.240 29.488 29.700 0.048 0.000 0.752 274 E HN 0.206 8.566 8.360 -0.000 0.000 0.449 275 L N -0.112 121.161 121.223 0.083 0.000 2.083 275 L HA -0.127 3.856 4.340 -0.596 0.000 0.209 275 L C 2.508 179.419 176.870 0.069 0.000 1.083 275 L CA 1.086 56.011 54.840 0.142 0.000 0.752 275 L CB -0.629 41.527 42.059 0.161 0.000 0.899 275 L HN 0.178 8.408 8.230 -0.000 0.000 0.433 276 A N 0.348 123.179 122.820 0.019 0.000 1.908 276 A HA -0.277 3.686 4.320 -0.596 0.000 0.218 276 A C 2.421 180.001 177.584 -0.007 0.000 1.181 276 A CA 2.158 54.188 52.037 -0.012 0.000 0.627 276 A CB -0.475 18.523 19.000 -0.004 0.000 0.818 276 A HN 0.374 8.524 8.150 -0.000 0.000 0.445 277 K N -0.736 119.667 120.400 0.005 0.000 2.057 277 K HA -0.163 3.799 4.320 -0.596 0.000 0.206 277 K C 1.932 178.487 176.600 -0.075 0.000 1.050 277 K CA 1.394 57.655 56.287 -0.044 0.000 0.935 277 K CB -0.145 32.376 32.500 0.036 0.000 0.715 277 K HN 0.368 8.618 8.250 -0.000 0.000 0.439 278 E N 0.257 120.473 120.200 0.027 0.000 2.051 278 E HA -0.201 3.791 4.350 -0.596 0.000 0.192 278 E C 1.788 178.436 176.600 0.079 0.000 0.991 278 E CA 1.163 57.628 56.400 0.107 0.000 0.799 278 E CB -0.290 29.556 29.700 0.244 0.000 0.748 278 E HN 0.368 8.728 8.360 -0.000 0.000 0.449 279 F N 1.305 121.076 119.950 -0.298 0.000 2.075 279 F HA -0.196 3.971 4.527 -0.601 0.000 0.297 279 F C 2.219 177.884 175.800 -0.225 0.000 1.113 279 F CA 1.297 58.949 58.000 -0.580 0.000 1.218 279 F CB -0.288 38.165 39.000 -0.911 0.000 0.984 279 F HN -0.073 8.227 8.300 -0.000 0.000 0.472 280 L N 0.113 121.229 121.223 -0.178 0.000 1.994 280 L HA -0.214 3.769 4.340 -0.596 0.000 0.208 280 L C 2.454 179.111 176.870 -0.354 0.000 1.071 280 L CA 1.946 56.586 54.840 -0.334 0.000 0.745 280 L CB -0.874 40.855 42.059 -0.551 0.000 0.892 280 L HN 0.185 8.415 8.230 -0.000 0.000 0.431 281 E N -0.214 119.754 120.200 -0.387 0.000 2.107 281 E HA -0.111 3.881 4.350 -0.596 0.000 0.191 281 E C 1.381 177.984 176.600 0.005 0.000 0.982 281 E CA 0.821 57.046 56.400 -0.292 0.000 0.809 281 E CB 0.087 29.436 29.700 -0.585 0.000 0.756 281 E HN 0.479 8.839 8.360 -0.000 0.000 0.459 282 N N -1.128 117.580 118.700 0.012 0.000 2.205 282 N HA 0.047 4.429 4.740 -0.596 0.000 0.201 282 N C 0.365 175.803 175.510 -0.120 0.000 1.128 282 N CA 0.380 53.448 53.050 0.030 0.000 0.867 282 N CB 0.641 39.193 38.487 0.108 0.000 0.996 282 N HN 0.169 8.549 8.380 -0.000 0.000 0.503 283 Y N -0.210 119.962 120.300 -0.213 0.000 2.817 283 Y HA 0.198 4.389 4.550 -0.599 0.000 0.257 283 Y C 1.805 177.479 175.900 -0.377 0.000 1.055 283 Y CA -0.253 57.680 58.100 -0.279 0.000 1.319 283 Y CB -0.297 37.944 38.460 -0.364 0.000 1.481 283 Y HN -0.153 8.127 8.280 -0.000 0.000 0.471 284 L N 0.326 121.289 121.223 -0.434 0.000 2.007 284 L HA 0.039 4.022 4.340 -0.596 0.000 0.205 284 L C 0.830 177.609 176.870 -0.151 0.000 1.073 284 L CA 1.780 56.422 54.840 -0.331 0.000 0.744 284 L CB -0.622 41.226 42.059 -0.351 0.000 0.898 284 L HN 0.122 8.352 8.230 -0.000 0.000 0.435 285 L N 1.493 122.663 121.223 -0.089 0.000 2.511 285 L HA 0.146 4.128 4.340 -0.596 0.000 0.239 285 L C -0.133 176.726 176.870 -0.017 0.000 1.400 285 L CA 0.023 54.863 54.840 0.001 0.000 1.226 285 L CB -1.470 40.689 42.059 0.167 0.000 1.475 285 L HN 0.482 8.712 8.230 -0.000 0.000 0.428 286 T N -6.175 108.321 114.554 -0.096 0.000 2.841 286 T HA 0.274 4.267 4.350 -0.596 0.000 0.296 286 T C 0.535 175.118 174.700 -0.195 0.000 1.166 286 T CA -0.864 61.167 62.100 -0.115 0.000 1.007 286 T CB 1.905 70.696 68.868 -0.129 0.000 1.253 286 T HN -0.050 8.190 8.240 -0.000 0.000 0.511 287 D N 0.471 120.761 120.400 -0.184 0.000 2.144 287 D HA -0.045 4.238 4.640 -0.596 0.000 0.199 287 D C 1.745 177.816 176.300 -0.381 0.000 0.984 287 D CA 1.420 55.242 54.000 -0.296 0.000 0.834 287 D CB -0.039 40.703 40.800 -0.097 0.000 0.955 287 D HN 0.679 9.049 8.370 -0.000 0.000 0.465 288 E N 0.227 120.295 120.200 -0.220 0.000 2.047 288 E HA -0.022 3.971 4.350 -0.596 0.000 0.191 288 E C 2.223 178.716 176.600 -0.178 0.000 0.987 288 E CA 1.191 57.490 56.400 -0.168 0.000 0.799 288 E CB -0.834 28.801 29.700 -0.109 0.000 0.752 288 E HN 0.288 8.648 8.360 -0.000 0.000 0.449 289 G N 0.994 109.689 108.800 -0.176 0.000 2.459 289 G HA2 -0.255 3.347 3.960 -0.596 0.000 0.217 289 G HA3 -0.255 3.347 3.960 -0.596 0.000 0.217 289 G C 1.536 176.337 174.900 -0.165 0.000 1.183 289 G CA 0.906 45.919 45.100 -0.145 0.000 0.776 289 G HN 0.167 8.457 8.290 -0.000 0.000 0.552 290 L N 0.241 121.306 121.223 -0.263 0.000 2.141 290 L HA -0.023 3.960 4.340 -0.596 0.000 0.209 290 L C 2.731 179.443 176.870 -0.263 0.000 1.094 290 L CA 1.359 56.042 54.840 -0.262 0.000 0.763 290 L CB -0.387 41.469 42.059 -0.339 0.000 0.908 290 L HN 0.393 8.623 8.230 -0.000 0.000 0.437 291 E N 0.713 120.662 120.200 -0.419 0.000 2.150 291 E HA -0.219 3.774 4.350 -0.596 0.000 0.193 291 E C 2.223 178.810 176.600 -0.021 0.000 0.985 291 E CA 1.070 57.385 56.400 -0.142 0.000 0.814 291 E CB 0.082 29.709 29.700 -0.123 0.000 0.752 291 E HN 0.448 8.808 8.360 -0.000 0.000 0.466 292 A N 0.481 123.269 122.820 -0.053 0.000 1.902 292 A HA -0.118 3.844 4.320 -0.596 0.000 0.217 292 A C 2.351 179.936 177.584 0.003 0.000 1.181 292 A CA 1.413 53.443 52.037 -0.011 0.000 0.623 292 A CB -0.514 18.481 19.000 -0.010 0.000 0.818 292 A HN 0.221 8.371 8.150 -0.000 0.000 0.443 293 V N 0.420 120.331 119.914 -0.006 0.000 2.283 293 V HA -0.203 3.560 4.120 -0.596 0.000 0.243 293 V C 2.383 178.499 176.094 0.037 0.000 1.039 293 V CA 2.146 64.449 62.300 0.005 0.000 1.016 293 V CB -1.074 30.745 31.823 -0.007 0.000 0.650 293 V HN 0.695 8.885 8.190 -0.000 0.000 0.449 294 N N 0.454 119.198 118.700 0.073 0.000 2.137 294 N HA -0.240 4.143 4.740 -0.596 0.000 0.190 294 N C 1.797 177.377 175.510 0.117 0.000 1.017 294 N CA 1.632 54.758 53.050 0.127 0.000 0.859 294 N CB -0.242 38.387 38.487 0.237 0.000 1.002 294 N HN 0.406 8.786 8.380 -0.000 0.000 0.428 295 K N -0.339 120.118 120.400 0.095 0.000 2.211 295 K HA -0.130 3.833 4.320 -0.596 0.000 0.203 295 K C 1.212 177.848 176.600 0.060 0.000 1.050 295 K CA 1.167 57.504 56.287 0.083 0.000 0.945 295 K CB -0.048 32.491 32.500 0.066 0.000 0.732 295 K HN 0.225 8.475 8.250 -0.000 0.000 0.451 296 D N 0.300 120.721 120.400 0.035 0.000 2.106 296 D HA -0.041 4.242 4.640 -0.596 0.000 0.203 296 D C -0.224 176.091 176.300 0.025 0.000 0.977 296 D CA 1.230 55.229 54.000 -0.001 0.000 0.844 296 D CB 0.454 41.224 40.800 -0.050 0.000 1.002 296 D HN -0.137 8.233 8.370 -0.000 0.000 0.461 297 K N 0.478 120.910 120.400 0.053 0.000 2.601 297 K HA 0.371 4.333 4.320 -0.596 0.000 0.249 297 K C -2.686 173.978 176.600 0.107 0.000 0.966 297 K CA -2.137 54.212 56.287 0.103 0.000 0.827 297 K CB 1.956 34.541 32.500 0.142 0.000 1.178 297 K HN -0.056 8.194 8.250 -0.000 0.000 0.437 298 P HA -0.003 4.417 4.420 -0.000 0.000 0.259 298 P C 0.604 177.899 177.300 -0.009 0.000 1.163 298 P CA 0.272 63.414 63.100 0.070 0.000 0.760 298 P CB 0.492 32.243 31.700 0.086 0.000 0.762 299 L N 2.393 123.633 121.223 0.029 0.000 2.341 299 L HA 0.155 4.137 4.340 -0.596 0.000 0.214 299 L C 1.582 178.466 176.870 0.024 0.000 1.115 299 L CA 1.129 55.973 54.840 0.007 0.000 0.820 299 L CB -0.751 41.338 42.059 0.051 0.000 0.944 299 L HN 0.747 8.977 8.230 -0.000 0.000 0.452 300 G N -0.171 108.630 108.800 0.003 0.000 2.475 300 G HA2 -0.168 3.435 3.960 -0.596 0.000 0.223 300 G HA3 -0.168 3.435 3.960 -0.596 0.000 0.223 300 G C -0.272 174.690 174.900 0.103 0.000 1.201 300 G CA -0.382 44.739 45.100 0.035 0.000 0.962 300 G HN 0.404 8.694 8.290 -0.000 0.000 0.586 301 A N 0.053 122.942 122.820 0.115 0.000 2.366 301 A HA 0.729 4.691 4.320 -0.596 0.000 0.272 301 A C 0.814 178.459 177.584 0.103 0.000 1.135 301 A CA 0.564 52.663 52.037 0.104 0.000 0.804 301 A CB 0.358 19.420 19.000 0.104 0.000 1.064 301 A HN 2.276 10.425 8.150 -0.000 0.000 0.499 302 V N 0.305 120.290 119.914 0.118 0.000 2.743 302 V HA 0.673 4.435 4.120 -0.596 0.000 0.301 302 V C 1.130 177.298 176.094 0.124 0.000 1.057 302 V CA 0.027 62.400 62.300 0.122 0.000 1.006 302 V CB 0.881 32.832 31.823 0.213 0.000 1.024 302 V HN 1.188 9.378 8.190 -0.000 0.000 0.473 303 A N 2.862 125.687 122.820 0.009 0.000 2.014 303 A HA 0.149 4.112 4.320 -0.596 0.000 0.218 303 A C 1.176 178.660 177.584 -0.166 0.000 1.163 303 A CA 0.666 52.656 52.037 -0.079 0.000 0.652 303 A CB -0.494 18.329 19.000 -0.294 0.000 0.808 303 A HN 0.973 9.123 8.150 -0.000 0.000 0.449 304 L N 0.974 122.129 121.223 -0.113 0.000 2.456 304 L HA 0.152 4.135 4.340 -0.596 0.000 0.277 304 L C 1.072 177.844 176.870 -0.163 0.000 1.124 304 L CA 0.216 54.958 54.840 -0.164 0.000 0.880 304 L CB 0.255 42.278 42.059 -0.059 0.000 1.192 304 L HN 0.283 8.513 8.230 -0.000 0.000 0.463 305 K N 1.645 121.808 120.400 -0.395 0.000 2.020 305 K HA -0.221 3.741 4.320 -0.596 0.000 0.212 305 K C 2.003 178.556 176.600 -0.077 0.000 1.050 305 K CA 1.988 58.053 56.287 -0.369 0.000 0.929 305 K CB -0.295 31.941 32.500 -0.439 0.000 0.714 305 K HN 0.898 9.148 8.250 -0.000 0.000 0.443 306 S N 0.203 115.871 115.700 -0.053 0.000 2.400 306 S HA -0.227 3.886 4.470 -0.596 0.000 0.232 306 S C 2.005 176.671 174.600 0.110 0.000 1.025 306 S CA 1.200 59.413 58.200 0.022 0.000 0.993 306 S CB -0.480 62.726 63.200 0.010 0.000 0.808 306 S HN 0.375 8.685 8.310 -0.000 0.000 0.478 307 Y N 2.092 122.377 120.300 -0.025 0.000 2.397 307 Y HA 0.254 4.439 4.550 -0.608 0.000 0.292 307 Y C 2.323 178.247 175.900 0.041 0.000 1.115 307 Y CA 0.939 59.042 58.100 0.005 0.000 1.208 307 Y CB -0.429 38.029 38.460 -0.004 0.000 1.046 307 Y HN 0.294 8.574 8.280 -0.000 0.000 0.552 308 E N 0.950 121.173 120.200 0.037 0.000 2.265 308 E HA -0.204 3.789 4.350 -0.596 0.000 0.196 308 E C 2.018 178.622 176.600 0.006 0.000 0.996 308 E CA 1.418 57.835 56.400 0.029 0.000 0.832 308 E CB -0.321 29.532 29.700 0.256 0.000 0.756 308 E HN 0.613 8.973 8.360 -0.000 0.000 0.491 309 E N -0.051 120.162 120.200 0.021 0.000 2.077 309 E HA -0.211 3.782 4.350 -0.596 0.000 0.193 309 E C 1.521 178.102 176.600 -0.032 0.000 0.989 309 E CA 1.238 57.649 56.400 0.018 0.000 0.800 309 E CB 0.080 29.798 29.700 0.030 0.000 0.746 309 E HN 0.292 8.652 8.360 -0.000 0.000 0.452 310 E N 0.515 120.663 120.200 -0.086 0.000 2.028 310 E HA -0.177 3.816 4.350 -0.596 0.000 0.191 310 E C 2.259 178.772 176.600 -0.145 0.000 0.988 310 E CA 0.586 56.920 56.400 -0.111 0.000 0.799 310 E CB -0.396 29.221 29.700 -0.138 0.000 0.755 310 E HN 0.228 8.588 8.360 -0.000 0.000 0.447 311 L N 1.173 122.245 121.223 -0.253 0.000 2.079 311 L HA -0.105 3.877 4.340 -0.596 0.000 0.210 311 L C 2.386 179.221 176.870 -0.057 0.000 1.081 311 L CA 1.651 56.386 54.840 -0.175 0.000 0.752 311 L CB -1.209 40.709 42.059 -0.234 0.000 0.896 311 L HN 0.070 8.300 8.230 -0.000 0.000 0.433 312 A N -1.082 121.715 122.820 -0.040 0.000 2.076 312 A HA -0.192 3.771 4.320 -0.596 0.000 0.220 312 A C 2.134 179.710 177.584 -0.013 0.000 1.160 312 A CA 1.242 53.275 52.037 -0.007 0.000 0.653 312 A CB -0.411 18.591 19.000 0.003 0.000 0.801 312 A HN 0.274 8.424 8.150 -0.000 0.000 0.455 313 K N 0.677 121.062 120.400 -0.025 0.000 2.362 313 K HA -0.067 3.896 4.320 -0.596 0.000 0.200 313 K C 0.171 176.752 176.600 -0.032 0.000 1.046 313 K CA 0.309 56.581 56.287 -0.026 0.000 0.952 313 K CB -0.354 32.130 32.500 -0.027 0.000 0.753 313 K HN 0.502 8.752 8.250 -0.000 0.000 0.466 314 D N 2.038 122.421 120.400 -0.028 0.000 2.339 314 D HA 0.026 4.309 4.640 -0.596 0.000 0.256 314 D C -1.466 174.800 176.300 -0.057 0.000 1.214 314 D CA -2.009 51.965 54.000 -0.044 0.000 0.877 314 D CB 1.533 42.322 40.800 -0.017 0.000 1.111 314 D HN -0.079 8.291 8.370 -0.000 0.000 0.478 315 P HA -0.173 4.247 4.420 -0.000 0.000 0.216 315 P C 1.130 178.364 177.300 -0.110 0.000 1.150 315 P CA 0.956 64.001 63.100 -0.091 0.000 0.837 315 P CB 0.411 32.044 31.700 -0.111 0.000 0.786 316 R N -0.426 119.941 120.500 -0.222 0.000 2.105 316 R HA -0.053 3.929 4.340 -0.596 0.000 0.239 316 R C 2.609 178.893 176.300 -0.027 0.000 1.135 316 R CA 1.209 57.093 56.100 -0.361 0.000 0.967 316 R CB -0.778 28.919 30.300 -1.006 0.000 0.861 316 R HN 0.275 8.545 8.270 -0.000 0.000 0.442 317 I N 0.313 120.939 120.570 0.093 0.000 2.439 317 I HA -0.167 3.646 4.170 -0.596 0.000 0.251 317 I C 2.518 178.716 176.117 0.134 0.000 1.139 317 I CA 0.807 62.253 61.300 0.243 0.000 1.438 317 I CB -0.306 37.806 38.000 0.186 0.000 1.085 317 I HN 0.180 8.390 8.210 -0.000 0.000 0.427 318 A N 0.873 123.729 122.820 0.058 0.000 1.933 318 A HA -0.137 3.826 4.320 -0.596 0.000 0.218 318 A C 2.538 180.148 177.584 0.043 0.000 1.175 318 A CA 1.738 53.794 52.037 0.032 0.000 0.628 318 A CB -0.681 18.320 19.000 0.001 0.000 0.814 318 A HN 0.412 8.562 8.150 -0.000 0.000 0.444 319 A N -0.990 121.860 122.820 0.050 0.000 1.933 319 A HA -0.063 3.899 4.320 -0.596 0.000 0.218 319 A C 2.284 179.932 177.584 0.106 0.000 1.175 319 A CA 2.219 54.293 52.037 0.062 0.000 0.628 319 A CB -1.154 17.877 19.000 0.051 0.000 0.814 319 A HN 0.425 8.575 8.150 -0.000 0.000 0.444 320 T N 0.217 114.873 114.554 0.170 0.000 2.777 320 T HA -0.128 3.864 4.350 -0.596 0.000 0.266 320 T C 1.949 176.724 174.700 0.125 0.000 1.040 320 T CA 1.754 63.966 62.100 0.188 0.000 1.141 320 T CB -0.320 68.701 68.868 0.255 0.000 0.868 320 T HN 0.462 8.702 8.240 -0.000 0.000 0.444 321 M N 0.869 120.527 119.600 0.096 0.000 2.117 321 M HA -0.098 4.025 4.480 -0.596 0.000 0.262 321 M C 2.472 178.789 176.300 0.028 0.000 1.065 321 M CA 1.543 56.872 55.300 0.049 0.000 1.114 321 M CB -0.424 32.188 32.600 0.019 0.000 1.361 321 M HN 0.313 8.603 8.290 -0.000 0.000 0.408 322 E N 0.912 121.130 120.200 0.030 0.000 2.051 322 E HA -0.213 3.780 4.350 -0.596 0.000 0.192 322 E C 1.765 178.382 176.600 0.029 0.000 0.991 322 E CA 1.266 57.676 56.400 0.017 0.000 0.799 322 E CB 0.028 29.736 29.700 0.014 0.000 0.748 322 E HN 0.454 8.814 8.360 -0.000 0.000 0.449 323 N N 0.275 119.005 118.700 0.049 0.000 2.166 323 N HA -0.167 4.216 4.740 -0.596 0.000 0.186 323 N C 1.758 177.311 175.510 0.071 0.000 1.019 323 N CA 1.281 54.366 53.050 0.058 0.000 0.856 323 N CB -0.246 38.285 38.487 0.073 0.000 0.993 323 N HN 0.272 8.652 8.380 -0.000 0.000 0.426 324 A N 1.336 124.203 122.820 0.079 0.000 1.933 324 A HA -0.136 3.827 4.320 -0.596 0.000 0.218 324 A C 2.153 179.768 177.584 0.052 0.000 1.175 324 A CA 1.074 53.164 52.037 0.088 0.000 0.628 324 A CB -0.267 18.782 19.000 0.080 0.000 0.814 324 A HN 0.209 8.359 8.150 -0.000 0.000 0.444 325 Q N 0.012 119.823 119.800 0.018 0.000 2.119 325 Q HA -0.099 3.884 4.340 -0.596 0.000 0.201 325 Q C 1.533 177.541 176.000 0.013 0.000 0.972 325 Q CA 1.433 57.233 55.803 -0.006 0.000 0.847 325 Q CB -0.271 28.453 28.738 -0.025 0.000 0.903 325 Q HN 0.713 8.983 8.270 -0.000 0.000 0.433 326 K N 0.038 120.453 120.400 0.026 0.000 2.487 326 K HA 0.098 4.060 4.320 -0.596 0.000 0.192 326 K C 0.922 177.549 176.600 0.044 0.000 1.027 326 K CA 0.361 56.664 56.287 0.027 0.000 1.054 326 K CB 0.384 32.898 32.500 0.022 0.000 0.824 326 K HN 0.060 8.310 8.250 -0.000 0.000 0.510 327 G N 1.232 110.074 108.800 0.071 0.000 2.932 327 G HA2 0.367 3.969 3.960 -0.596 0.000 0.283 327 G HA3 0.367 3.969 3.960 -0.596 0.000 0.283 327 G C -1.332 173.659 174.900 0.151 0.000 1.336 327 G CA -0.680 44.489 45.100 0.114 0.000 1.056 327 G HN 0.157 8.447 8.290 -0.000 0.000 0.522 328 E N -1.110 119.244 120.200 0.256 0.000 2.312 328 E HA 0.536 4.529 4.350 -0.596 0.000 0.267 328 E C -0.814 176.007 176.600 0.368 0.000 0.894 328 E CA -0.959 55.604 56.400 0.272 0.000 0.773 328 E CB 2.719 32.586 29.700 0.279 0.000 1.241 328 E HN 0.449 8.809 8.360 -0.000 0.000 0.432 329 I N 2.581 123.291 120.570 0.233 0.000 2.618 329 I HA 0.029 3.841 4.170 -0.596 0.000 0.284 329 I C 0.180 176.425 176.117 0.213 0.000 1.146 329 I CA -0.194 61.239 61.300 0.221 0.000 1.425 329 I CB 0.398 38.473 38.000 0.125 0.000 1.383 329 I HN 0.603 8.813 8.210 -0.000 0.000 0.562 330 M N 8.402 128.083 119.600 0.136 0.000 2.252 330 M HA 0.140 4.263 4.480 -0.596 0.000 0.321 330 M C -2.163 174.063 176.300 -0.124 0.000 1.070 330 M CA -0.920 54.192 55.300 -0.313 0.000 1.143 330 M CB -0.250 32.073 32.600 -0.462 0.000 1.498 330 M HN 0.391 8.681 8.290 -0.000 0.000 0.445 331 P HA 0.144 4.564 4.420 -0.000 0.000 0.278 331 P C -0.547 176.594 177.300 -0.265 0.000 1.258 331 P CA -0.300 62.581 63.100 -0.364 0.000 0.811 331 P CB 0.505 31.694 31.700 -0.853 0.000 1.063 332 N N 1.074 119.698 118.700 -0.127 0.000 2.177 332 N HA 0.045 4.428 4.740 -0.596 0.000 0.218 332 N C 0.421 175.828 175.510 -0.172 0.000 1.182 332 N CA -0.192 52.783 53.050 -0.125 0.000 0.882 332 N CB -0.689 37.819 38.487 0.035 0.000 1.052 332 N HN 0.384 8.764 8.380 -0.000 0.000 0.519 333 I N -1.908 118.568 120.570 -0.157 0.000 3.045 333 I HA 0.168 3.980 4.170 -0.596 0.000 0.288 333 I C -1.465 174.521 176.117 -0.219 0.000 1.238 333 I CA -1.261 59.957 61.300 -0.136 0.000 1.396 333 I CB 0.176 38.058 38.000 -0.198 0.000 1.355 333 I HN -0.293 7.917 8.210 -0.000 0.000 0.601 334 P HA -0.196 4.224 4.420 -0.000 0.000 0.217 334 P C 1.048 178.302 177.300 -0.077 0.000 1.148 334 P CA 1.634 64.653 63.100 -0.134 0.000 0.828 334 P CB 0.015 31.679 31.700 -0.060 0.000 0.783 335 Q N -1.988 117.746 119.800 -0.110 0.000 2.436 335 Q HA -0.007 3.975 4.340 -0.596 0.000 0.209 335 Q C 1.900 177.988 176.000 0.147 0.000 0.965 335 Q CA 0.885 56.685 55.803 -0.004 0.000 0.910 335 Q CB -0.735 27.941 28.738 -0.102 0.000 0.980 335 Q HN 0.230 8.500 8.270 -0.000 0.000 0.491 336 M N 0.160 119.795 119.600 0.058 0.000 2.202 336 M HA -0.156 3.967 4.480 -0.596 0.000 0.262 336 M C 2.106 178.538 176.300 0.221 0.000 1.063 336 M CA 1.869 57.240 55.300 0.118 0.000 1.097 336 M CB -1.143 31.450 32.600 -0.012 0.000 1.382 336 M HN 0.389 8.679 8.290 -0.000 0.000 0.413 337 S N 0.426 116.243 115.700 0.195 0.000 2.382 337 S HA -0.061 4.051 4.470 -0.596 0.000 0.228 337 S C 2.101 176.860 174.600 0.266 0.000 1.027 337 S CA 1.217 59.562 58.200 0.242 0.000 0.991 337 S CB -0.617 62.668 63.200 0.141 0.000 0.823 337 S HN 0.442 8.752 8.310 -0.000 0.000 0.469 338 A N 1.258 124.217 122.820 0.231 0.000 1.897 338 A HA 0.134 4.097 4.320 -0.596 0.000 0.215 338 A C 1.937 179.667 177.584 0.242 0.000 1.181 338 A CA 1.257 53.444 52.037 0.249 0.000 0.620 338 A CB -1.072 18.057 19.000 0.214 0.000 0.821 338 A HN 0.588 8.738 8.150 -0.000 0.000 0.443 339 F N -0.567 119.415 119.950 0.053 0.000 2.069 339 F HA -0.212 3.954 4.527 -0.602 0.000 0.298 339 F C 2.054 177.788 175.800 -0.110 0.000 1.113 339 F CA 1.734 59.644 58.000 -0.150 0.000 1.214 339 F CB -0.765 38.002 39.000 -0.388 0.000 0.978 339 F HN 0.404 8.704 8.300 -0.000 0.000 0.474 340 W N -1.138 120.041 121.300 -0.202 0.000 2.335 340 W HA -0.266 4.031 4.660 -0.605 0.000 0.311 340 W C 2.556 178.976 176.519 -0.166 0.000 1.213 340 W CA 1.296 58.466 57.345 -0.291 0.000 1.274 340 W CB -1.012 28.437 29.460 -0.018 0.000 1.148 340 W HN 0.214 8.394 8.180 -0.000 0.000 0.498 341 Y N 1.147 121.535 120.300 0.146 0.000 2.165 341 Y HA -0.253 3.938 4.550 -0.598 0.000 0.286 341 Y C 2.224 178.139 175.900 0.024 0.000 1.155 341 Y CA 1.932 60.081 58.100 0.081 0.000 1.164 341 Y CB -0.951 37.555 38.460 0.076 0.000 0.978 341 Y HN -0.080 8.200 8.280 -0.000 0.000 0.513 342 A N -0.614 122.089 122.820 -0.195 0.000 1.873 342 A HA -0.129 3.833 4.320 -0.596 0.000 0.215 342 A C 2.345 179.776 177.584 -0.255 0.000 1.186 342 A CA 2.089 53.972 52.037 -0.257 0.000 0.616 342 A CB -1.292 17.656 19.000 -0.087 0.000 0.823 342 A HN 0.312 8.462 8.150 -0.000 0.000 0.442 343 V N 0.143 119.889 119.914 -0.279 0.000 2.427 343 V HA -0.231 3.532 4.120 -0.596 0.000 0.248 343 V C 2.620 178.669 176.094 -0.075 0.000 1.051 343 V CA 2.182 64.368 62.300 -0.190 0.000 1.048 343 V CB -0.885 30.730 31.823 -0.348 0.000 0.666 343 V HN 0.690 8.880 8.190 -0.000 0.000 0.456 344 R N 0.180 120.641 120.500 -0.065 0.000 2.080 344 R HA -0.194 3.789 4.340 -0.596 0.000 0.236 344 R C 2.365 178.618 176.300 -0.078 0.000 1.137 344 R CA 2.343 58.434 56.100 -0.014 0.000 0.943 344 R CB -0.656 29.650 30.300 0.011 0.000 0.846 344 R HN 0.492 8.762 8.270 -0.000 0.000 0.431 345 T N 0.642 115.070 114.554 -0.209 0.000 2.684 345 T HA -0.155 3.838 4.350 -0.596 0.000 0.267 345 T C 1.810 176.445 174.700 -0.108 0.000 1.036 345 T CA 1.491 63.473 62.100 -0.197 0.000 1.148 345 T CB -0.396 68.262 68.868 -0.350 0.000 0.863 345 T HN 0.518 8.758 8.240 -0.000 0.000 0.436 346 A N 0.949 123.709 122.820 -0.099 0.000 1.858 346 A HA -0.076 3.887 4.320 -0.596 0.000 0.216 346 A C 2.606 180.177 177.584 -0.020 0.000 1.190 346 A CA 1.609 53.616 52.037 -0.049 0.000 0.617 346 A CB -1.102 17.877 19.000 -0.035 0.000 0.827 346 A HN 0.352 8.502 8.150 -0.000 0.000 0.443 347 V N 0.296 120.210 119.914 -0.000 0.000 2.295 347 V HA -0.284 3.479 4.120 -0.596 0.000 0.246 347 V C 2.438 178.532 176.094 0.000 0.000 1.049 347 V CA 2.057 64.368 62.300 0.019 0.000 1.024 347 V CB -0.704 31.156 31.823 0.063 0.000 0.648 347 V HN 0.567 8.757 8.190 -0.000 0.000 0.447 348 I N 0.371 120.936 120.570 -0.007 0.000 2.226 348 I HA -0.231 3.581 4.170 -0.596 0.000 0.245 348 I C 2.406 178.512 176.117 -0.018 0.000 1.100 348 I CA 1.485 62.777 61.300 -0.013 0.000 1.374 348 I CB -0.499 37.492 38.000 -0.014 0.000 1.057 348 I HN 0.386 8.596 8.210 -0.000 0.000 0.413 349 N N 1.193 119.880 118.700 -0.022 0.000 2.106 349 N HA -0.122 4.260 4.740 -0.596 0.000 0.188 349 N C 1.912 177.412 175.510 -0.017 0.000 1.029 349 N CA 1.709 54.748 53.050 -0.019 0.000 0.848 349 N CB -0.481 37.993 38.487 -0.022 0.000 1.007 349 N HN 0.335 8.715 8.380 -0.000 0.000 0.423 350 A N 1.012 123.822 122.820 -0.016 0.000 1.877 350 A HA 0.031 3.994 4.320 -0.596 0.000 0.216 350 A C 2.351 179.923 177.584 -0.021 0.000 1.186 350 A CA 2.039 54.066 52.037 -0.016 0.000 0.620 350 A CB -0.968 18.024 19.000 -0.014 0.000 0.822 350 A HN 0.317 8.467 8.150 -0.000 0.000 0.443 351 A N 0.181 122.987 122.820 -0.023 0.000 1.940 351 A HA -0.102 3.861 4.320 -0.596 0.000 0.219 351 A C 2.431 179.997 177.584 -0.030 0.000 1.176 351 A CA 2.374 54.393 52.037 -0.031 0.000 0.631 351 A CB -0.823 18.156 19.000 -0.035 0.000 0.814 351 A HN 1.067 9.217 8.150 -0.000 0.000 0.446 352 S N -2.324 113.362 115.700 -0.024 0.000 2.528 352 S HA 0.368 4.481 4.470 -0.596 0.000 0.219 352 S C 1.466 176.055 174.600 -0.019 0.000 0.985 352 S CA 1.131 59.318 58.200 -0.022 0.000 0.914 352 S CB -0.152 63.037 63.200 -0.018 0.000 0.776 352 S HN 1.944 10.254 8.310 -0.000 0.000 0.526 353 G N 1.600 110.389 108.800 -0.018 0.000 2.176 353 G HA2 -0.292 3.310 3.960 -0.596 0.000 0.253 353 G HA3 -0.292 3.310 3.960 -0.596 0.000 0.253 353 G C 0.839 175.732 174.900 -0.012 0.000 0.979 353 G CA 0.277 45.368 45.100 -0.015 0.000 0.641 353 G HN 0.506 8.796 8.290 -0.000 0.000 0.530 354 R N -0.218 120.275 120.500 -0.011 0.000 2.285 354 R HA 0.119 4.101 4.340 -0.596 0.000 0.213 354 R C 0.990 177.286 176.300 -0.007 0.000 1.068 354 R CA 1.251 57.346 56.100 -0.008 0.000 1.004 354 R CB 0.053 30.348 30.300 -0.008 0.000 0.873 354 R HN 0.593 8.863 8.270 -0.000 0.000 0.467 355 Q N -1.129 118.666 119.800 -0.008 0.000 2.472 355 Q HA 0.123 4.106 4.340 -0.596 0.000 0.281 355 Q C -1.044 174.952 176.000 -0.007 0.000 0.997 355 Q CA -0.571 55.228 55.803 -0.006 0.000 0.828 355 Q CB 2.352 31.085 28.738 -0.007 0.000 1.443 355 Q HN 0.097 8.367 8.270 -0.000 0.000 0.390 356 T N -2.354 112.198 114.554 -0.004 0.000 2.860 356 T HA 0.182 4.175 4.350 -0.596 0.000 0.299 356 T C 1.300 175.997 174.700 -0.003 0.000 1.045 356 T CA -0.583 61.515 62.100 -0.003 0.000 1.071 356 T CB 0.688 69.556 68.868 0.000 0.000 0.985 356 T HN 0.335 8.575 8.240 -0.000 0.000 0.537 357 V N 1.448 121.360 119.914 -0.003 0.000 2.332 357 V HA -0.165 3.598 4.120 -0.596 0.000 0.248 357 V C 2.547 178.641 176.094 0.000 0.000 1.055 357 V CA 2.499 64.797 62.300 -0.003 0.000 1.038 357 V CB -1.017 30.805 31.823 -0.002 0.000 0.651 357 V HN 1.103 9.293 8.190 -0.000 0.000 0.450 358 D N -0.556 119.846 120.400 0.003 0.000 2.178 358 D HA -0.194 4.089 4.640 -0.596 0.000 0.202 358 D C 2.196 178.498 176.300 0.004 0.000 0.974 358 D CA 1.338 55.340 54.000 0.005 0.000 0.841 358 D CB -0.036 40.768 40.800 0.007 0.000 0.953 358 D HN 0.550 8.920 8.370 -0.000 0.000 0.478 359 E N -0.482 119.720 120.200 0.002 0.000 2.046 359 E HA -0.147 3.846 4.350 -0.596 0.000 0.190 359 E C 2.037 178.637 176.600 -0.001 0.000 0.982 359 E CA 0.825 57.227 56.400 0.002 0.000 0.800 359 E CB -0.148 29.553 29.700 0.002 0.000 0.756 359 E HN 0.314 8.674 8.360 -0.000 0.000 0.449 360 A N 1.165 123.983 122.820 -0.004 0.000 1.883 360 A HA -0.182 3.780 4.320 -0.596 0.000 0.217 360 A C 2.189 179.767 177.584 -0.009 0.000 1.186 360 A CA 1.320 53.351 52.037 -0.010 0.000 0.624 360 A CB -0.668 18.325 19.000 -0.011 0.000 0.822 360 A HN 0.302 8.452 8.150 -0.000 0.000 0.444 361 L N -1.256 119.966 121.223 -0.002 0.000 2.131 361 L HA -0.116 3.867 4.340 -0.596 0.000 0.206 361 L C 2.549 179.421 176.870 0.003 0.000 1.087 361 L CA 1.339 56.181 54.840 0.003 0.000 0.767 361 L CB -0.419 41.644 42.059 0.007 0.000 0.917 361 L HN 0.336 8.566 8.230 -0.000 0.000 0.441 362 K N 0.024 120.426 120.400 0.004 0.000 2.097 362 K HA -0.174 3.789 4.320 -0.596 0.000 0.206 362 K C 1.652 178.258 176.600 0.010 0.000 1.049 362 K CA 1.449 57.741 56.287 0.008 0.000 0.933 362 K CB -0.088 32.417 32.500 0.009 0.000 0.717 362 K HN 0.236 8.486 8.250 -0.000 0.000 0.442 363 D N 0.389 120.793 120.400 0.006 0.000 2.149 363 D HA -0.082 4.201 4.640 -0.596 0.000 0.201 363 D C 1.786 178.089 176.300 0.006 0.000 0.972 363 D CA 1.024 55.029 54.000 0.008 0.000 0.835 363 D CB -0.079 40.723 40.800 0.003 0.000 0.966 363 D HN 0.183 8.553 8.370 -0.000 0.000 0.476 364 A N 0.757 123.573 122.820 -0.007 0.000 1.877 364 A HA -0.239 3.723 4.320 -0.596 0.000 0.216 364 A C 2.175 179.765 177.584 0.010 0.000 1.186 364 A CA 1.881 53.908 52.037 -0.016 0.000 0.620 364 A CB -0.660 18.321 19.000 -0.032 0.000 0.822 364 A HN 0.161 8.311 8.150 -0.000 0.000 0.443 365 Q N -0.344 119.465 119.800 0.014 0.000 2.061 365 Q HA -0.142 3.841 4.340 -0.596 0.000 0.204 365 Q C 2.037 178.061 176.000 0.039 0.000 0.984 365 Q CA 2.711 58.527 55.803 0.022 0.000 0.846 365 Q CB -0.868 27.877 28.738 0.012 0.000 0.902 365 Q HN 0.570 8.840 8.270 -0.000 0.000 0.421 366 T N 0.245 114.821 114.554 0.037 0.000 2.635 366 T HA -0.236 3.757 4.350 -0.596 0.000 0.267 366 T C 1.686 176.422 174.700 0.060 0.000 1.040 366 T CA 1.703 63.830 62.100 0.046 0.000 1.156 366 T CB -0.419 68.472 68.868 0.038 0.000 0.863 366 T HN 0.273 8.513 8.240 -0.000 0.000 0.430 367 R N 1.051 121.588 120.500 0.062 0.000 2.139 367 R HA -0.004 3.979 4.340 -0.596 0.000 0.243 367 R C 2.096 178.460 176.300 0.108 0.000 1.145 367 R CA 1.415 57.568 56.100 0.088 0.000 0.976 367 R CB -0.771 29.586 30.300 0.096 0.000 0.866 367 R HN 0.518 8.788 8.270 -0.000 0.000 0.449 368 I N -0.891 119.741 120.570 0.103 0.000 2.400 368 I HA -0.140 3.673 4.170 -0.596 0.000 0.248 368 I C 2.032 178.238 176.117 0.148 0.000 1.109 368 I CA 1.594 62.978 61.300 0.140 0.000 1.425 368 I CB -0.399 37.675 38.000 0.124 0.000 1.094 368 I HN 0.357 8.567 8.210 -0.000 0.000 0.425 369 T N -1.870 112.753 114.554 0.115 0.000 2.983 369 T HA 0.048 4.041 4.350 -0.596 0.000 0.250 369 T C 1.067 175.822 174.700 0.090 0.000 1.037 369 T CA 0.075 62.243 62.100 0.114 0.000 1.142 369 T CB 0.138 69.065 68.868 0.098 0.000 0.876 369 T HN 0.082 8.322 8.240 -0.000 0.000 0.455 370 K N 0.000 120.445 120.400 0.075 0.000 2.780 370 K HA 0.000 3.963 4.320 -0.596 0.000 0.191 370 K CA 0.000 56.325 56.287 0.063 0.000 0.838 370 K CB 0.000 32.531 32.500 0.052 0.000 1.064 370 K HN 0.000 8.250 8.250 -0.000 0.000 0.543