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 1u3b_1_A DATA FIRST_RESID 17 DATA SEQUENCE EFKDVFIEKQ KGEILGVVIV ESGWGSILPT VIIANMMHGG PAEKSGKLNI DATA SEQUENCE GDQIMSINGT SLVGLPLSTC QSIIKGLKNQ SRVKLNIVRC PPVTTVLIRR DATA SEQUENCE PDLRYQLGFS VQNGIICSLM RGGIAERGGV RVGHRIIEIN GQSVVATPHE DATA SEQUENCE KIVHILSNAV GEIHMKTMPA AMYRLLTAQE QPVYI 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 17 E HA 0.000 4.387 4.350 0.061 0.000 0.291 17 E C 0.000 176.609 176.600 0.016 0.000 1.382 17 E CA 0.000 56.417 56.400 0.028 0.000 0.976 17 E CB 0.000 29.730 29.700 0.050 0.000 0.812 18 F N 3.779 123.751 119.950 0.036 0.000 2.607 18 F HA -0.159 4.513 4.527 0.029 -0.128 0.374 18 F C 0.203 176.011 175.800 0.013 0.000 1.104 18 F CA 1.955 59.971 58.000 0.026 0.000 1.296 18 F CB 0.640 39.655 39.000 0.025 0.000 1.085 18 F HN 0.257 8.720 8.300 0.273 0.000 0.584 19 K N 2.815 123.354 120.400 0.233 0.000 2.575 19 K HA 0.114 4.507 4.320 0.122 0.000 0.255 19 K C -2.528 174.138 176.600 0.109 0.000 0.953 19 K CA -1.220 55.145 56.287 0.130 0.000 0.840 19 K CB 2.799 35.343 32.500 0.072 0.000 1.303 19 K HN 0.843 9.150 8.250 0.257 0.097 0.438 20 D N 3.584 124.027 120.400 0.071 0.000 2.425 20 D HA -0.115 4.678 4.640 0.056 -0.119 0.247 20 D C -1.074 175.256 176.300 0.050 0.000 1.147 20 D CA 0.975 54.996 54.000 0.035 0.000 0.879 20 D CB 1.153 41.926 40.800 -0.044 0.000 1.179 20 D HN 0.189 8.593 8.370 0.056 0.000 0.456 21 V N 5.412 125.373 119.914 0.078 0.000 2.293 21 V HA 0.134 4.318 4.120 0.107 0.000 0.275 21 V C -1.801 174.429 176.094 0.226 0.000 1.021 21 V CA -1.726 60.643 62.300 0.116 0.000 0.815 21 V CB -0.020 31.853 31.823 0.084 0.000 1.025 21 V HN 0.832 8.935 8.190 0.076 0.133 0.448 22 F N 9.552 129.510 119.950 0.014 0.000 2.335 22 F HA 0.303 4.998 4.527 0.012 -0.161 0.365 22 F C -1.011 174.793 175.800 0.006 0.000 1.122 22 F CA -2.795 55.212 58.000 0.011 0.000 1.151 22 F CB 0.770 39.776 39.000 0.010 0.000 1.282 22 F HN 0.261 8.724 8.300 0.271 0.000 0.513 23 I N 7.170 127.757 120.570 0.029 0.000 2.347 23 I HA 0.141 4.289 4.170 -0.036 0.000 0.283 23 I C -0.848 175.165 176.117 -0.173 0.000 1.058 23 I CA -2.224 59.043 61.300 -0.055 0.000 1.202 23 I CB -0.602 37.392 38.000 -0.009 0.000 1.386 23 I HN 0.768 8.923 8.210 0.094 0.111 0.475 24 E N 9.316 129.389 120.200 -0.212 0.000 2.129 24 E HA 0.065 4.359 4.350 -0.296 -0.122 0.283 24 E C -0.932 175.591 176.600 -0.128 0.000 1.080 24 E CA 0.193 56.456 56.400 -0.228 0.000 0.867 24 E CB -0.306 29.260 29.700 -0.224 0.000 1.056 24 E HN 0.372 8.633 8.360 -0.165 0.000 0.404 25 K N 2.409 122.743 120.400 -0.110 0.000 2.250 25 K HA 0.318 4.599 4.320 -0.064 0.000 0.261 25 K C -1.426 175.138 176.600 -0.060 0.000 1.047 25 K CA -1.719 54.525 56.287 -0.071 0.000 0.884 25 K CB 1.741 34.209 32.500 -0.055 0.000 1.476 25 K HN 0.141 8.217 8.250 -0.130 0.096 0.445 26 Q N -1.416 118.358 119.800 -0.043 0.000 2.195 26 Q HA 0.300 4.618 4.340 -0.037 0.000 0.250 26 Q C -1.072 174.912 176.000 -0.027 0.000 0.988 26 Q CA -1.390 54.393 55.803 -0.034 0.000 0.911 26 Q CB 1.962 30.683 28.738 -0.028 0.000 1.258 26 Q HN 0.002 8.557 8.270 -0.040 -0.309 0.475 27 K N -0.003 120.384 120.400 -0.021 0.000 2.355 27 K HA -0.467 3.844 4.320 -0.014 0.000 0.270 27 K C 1.169 177.762 176.600 -0.012 0.000 1.003 27 K CA 1.374 57.652 56.287 -0.015 0.000 0.957 27 K CB -0.273 32.220 32.500 -0.011 0.000 0.939 27 K HN 0.191 8.428 8.250 -0.021 0.000 0.482 28 G N 2.369 111.164 108.800 -0.008 0.000 2.148 28 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.254 28 G HA3 -0.371 3.585 3.960 -0.007 0.000 0.254 28 G C -0.032 174.863 174.900 -0.009 0.000 0.981 28 G CA 0.641 45.737 45.100 -0.006 0.000 0.670 28 G HN 0.502 8.817 8.290 -0.006 -0.029 0.528 29 E N -0.434 119.759 120.200 -0.012 0.000 2.736 29 E HA 0.209 4.548 4.350 -0.018 0.000 0.208 29 E C -0.307 176.288 176.600 -0.009 0.000 0.996 29 E CA -1.968 54.423 56.400 -0.016 0.000 1.104 29 E CB -0.230 29.457 29.700 -0.023 0.000 1.111 29 E HN -0.776 7.523 8.360 -0.012 0.054 0.455 30 I N -3.339 117.232 120.570 0.001 0.000 4.624 30 I HA -0.604 3.575 4.170 0.014 0.000 0.074 30 I C -0.120 176.006 176.117 0.016 0.000 0.637 30 I CA 2.861 64.170 61.300 0.015 0.000 0.639 30 I CB -0.686 37.333 38.000 0.031 0.000 0.586 30 I HN -0.365 7.767 8.210 0.001 0.079 0.180 31 L N -4.836 116.399 121.223 0.020 0.000 1.728 31 L HA 0.019 4.363 4.340 0.006 0.000 0.193 31 L C -1.644 175.242 176.870 0.026 0.000 1.247 31 L CA 0.569 55.423 54.840 0.022 0.000 1.304 31 L CB 2.308 44.389 42.059 0.038 0.000 2.616 31 L HN -0.370 7.872 8.230 0.020 0.000 0.504 32 G N -0.797 108.036 108.800 0.056 0.000 2.520 32 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.264 32 G HA3 -0.299 3.641 3.960 -0.033 0.000 0.264 32 G C -2.026 172.996 174.900 0.204 0.000 1.140 32 G CA 0.416 45.543 45.100 0.044 0.000 1.012 32 G HN -0.018 8.221 8.290 0.077 0.097 0.511 33 V N -3.442 116.690 119.914 0.364 0.000 3.147 33 V HA 0.625 5.071 4.120 0.396 -0.089 0.306 33 V C -3.029 173.145 176.094 0.133 0.000 1.209 33 V CA -2.563 59.916 62.300 0.299 0.000 1.023 33 V CB 3.496 35.393 31.823 0.123 0.000 1.059 33 V HN -0.242 8.152 8.190 0.339 0.000 0.435 34 V N 2.884 122.754 119.914 -0.074 0.000 2.448 34 V HA 0.567 4.693 4.120 -0.260 -0.162 0.295 34 V C -0.379 175.637 176.094 -0.131 0.000 1.025 34 V CA -1.775 60.373 62.300 -0.253 0.000 0.859 34 V CB 1.575 33.111 31.823 -0.479 0.000 0.988 34 V HN 0.774 8.861 8.190 0.010 0.110 0.431 35 I N 3.631 124.135 120.570 -0.109 0.000 2.648 35 I HA 0.985 5.346 4.170 -0.090 -0.245 0.304 35 I C -1.235 174.830 176.117 -0.088 0.000 1.009 35 I CA -1.938 59.310 61.300 -0.087 0.000 1.114 35 I CB 2.489 40.452 38.000 -0.062 0.000 1.293 35 I HN 0.019 8.161 8.210 -0.114 0.000 0.449 36 V N -3.647 116.215 119.914 -0.087 0.000 3.160 36 V HA 0.519 4.601 4.120 -0.063 0.000 0.310 36 V C -1.366 174.688 176.094 -0.068 0.000 1.181 36 V CA -3.820 58.436 62.300 -0.073 0.000 1.047 36 V CB 3.204 34.984 31.823 -0.073 0.000 1.068 36 V HN 0.545 8.647 8.190 -0.098 0.030 0.441 37 E N 1.067 121.241 120.200 -0.043 0.000 2.376 37 E HA -0.055 4.281 4.350 -0.023 0.000 0.266 37 E C 0.480 177.064 176.600 -0.028 0.000 1.009 37 E CA 0.972 57.359 56.400 -0.023 0.000 0.902 37 E CB 0.581 30.282 29.700 0.002 0.000 0.972 37 E HN 0.395 8.733 8.360 -0.037 0.000 0.439 38 S N 6.374 122.057 115.700 -0.028 0.000 2.962 38 S HA -0.103 4.235 4.470 -0.219 0.000 0.320 38 S C 0.579 175.307 174.600 0.212 0.000 1.186 38 S CA 0.607 58.773 58.200 -0.056 0.000 1.180 38 S CB -0.726 62.418 63.200 -0.094 0.000 1.491 38 S HN 0.052 8.354 8.310 -0.013 0.000 0.556 39 G N 3.438 112.330 108.800 0.153 0.000 2.920 39 G HA2 0.010 4.073 3.960 0.172 0.000 0.208 39 G HA3 0.010 4.037 3.960 0.112 0.000 0.208 39 G C -0.413 174.661 174.900 0.289 0.000 1.159 39 G CA -0.333 44.879 45.100 0.187 0.000 0.784 39 G HN -0.189 8.113 8.290 0.050 0.018 0.535 40 W N -0.234 121.058 121.300 -0.014 0.000 1.545 40 W HA 0.008 4.660 4.660 -0.012 0.000 0.381 40 W C 0.608 177.120 176.519 -0.011 0.000 1.838 40 W CA -2.993 54.344 57.345 -0.014 0.000 2.048 40 W CB -1.304 28.143 29.460 -0.020 0.000 1.545 40 W HN -0.743 7.707 8.180 0.577 0.076 0.839 41 G N -1.329 107.295 108.800 -0.293 0.000 2.499 41 G HA2 -0.313 3.514 3.960 -0.221 0.000 0.221 41 G HA3 -0.313 3.354 3.960 -0.488 0.000 0.221 41 G C -1.028 173.522 174.900 -0.584 0.000 1.109 41 G CA 0.620 45.457 45.100 -0.440 0.000 0.749 41 G HN 0.138 8.338 8.290 -0.151 0.000 0.568 42 S N -5.217 109.812 115.700 -1.118 0.000 3.909 42 S HA -0.451 3.953 4.470 -0.109 0.000 0.326 42 S C -0.268 174.050 174.600 -0.470 0.000 1.083 42 S CA 0.274 58.171 58.200 -0.506 0.000 0.939 42 S CB -1.359 61.773 63.200 -0.112 0.000 0.886 42 S HN -0.033 6.860 8.310 -2.281 0.049 0.496 43 I N -2.142 117.847 120.570 -0.967 0.000 2.264 43 I HA -0.322 3.626 4.170 -0.370 0.000 0.248 43 I C -0.766 175.330 176.117 -0.034 0.000 1.111 43 I CA 2.270 63.274 61.300 -0.493 0.000 1.382 43 I CB 0.149 37.739 38.000 -0.683 0.000 1.060 43 I HN 0.110 7.009 8.210 -2.185 0.000 0.418 44 L N -3.712 117.673 121.223 0.269 0.000 2.573 44 L HA 0.301 4.759 4.340 0.196 0.000 0.260 44 L C -2.755 174.327 176.870 0.352 0.000 0.997 44 L CA -3.337 51.688 54.840 0.308 0.000 0.890 44 L CB 1.943 44.193 42.059 0.318 0.000 1.179 44 L HN -0.737 7.799 8.230 0.534 0.014 0.439 45 P HA 0.115 4.691 4.420 0.260 0.000 0.250 45 P C -0.876 176.506 177.300 0.138 0.000 1.198 45 P CA 0.125 63.343 63.100 0.198 0.000 1.118 45 P CB -0.891 30.882 31.700 0.122 0.000 1.208 46 T N -0.440 114.182 114.554 0.112 0.000 2.550 46 T HA 0.300 4.675 4.350 0.042 0.000 0.256 46 T C -1.920 172.759 174.700 -0.035 0.000 0.866 46 T CA -2.633 59.485 62.100 0.031 0.000 1.163 46 T CB 2.487 71.365 68.868 0.017 0.000 1.460 46 T HN -0.254 8.077 8.240 0.152 0.000 0.498 47 V N -4.073 115.798 119.914 -0.071 0.000 2.513 47 V HA 0.919 5.164 4.120 -0.093 -0.180 0.299 47 V C -0.968 175.027 176.094 -0.166 0.000 1.035 47 V CA -2.896 59.345 62.300 -0.098 0.000 0.889 47 V CB 1.139 32.925 31.823 -0.061 0.000 0.988 47 V HN -0.547 7.610 8.190 -0.057 0.000 0.440 48 I N 1.229 121.685 120.570 -0.191 0.000 2.385 48 I HA 0.326 4.463 4.170 -0.281 -0.135 0.294 48 I C 0.281 176.309 176.117 -0.148 0.000 0.988 48 I CA -1.565 59.597 61.300 -0.230 0.000 1.265 48 I CB 1.208 39.045 38.000 -0.271 0.000 1.388 48 I HN 0.823 8.824 8.210 -0.158 0.114 0.480 49 I N 5.900 126.392 120.570 -0.131 0.000 2.357 49 I HA 0.052 4.366 4.170 -0.070 -0.186 0.300 49 I C -0.196 175.880 176.117 -0.069 0.000 1.159 49 I CA 0.308 61.561 61.300 -0.079 0.000 1.339 49 I CB -1.341 36.629 38.000 -0.051 0.000 1.458 49 I HN 0.819 8.829 8.210 -0.158 0.105 0.577 50 A N 7.873 130.648 122.820 -0.076 0.000 2.169 50 A HA -0.008 4.278 4.320 -0.057 0.000 0.212 50 A C -1.144 176.413 177.584 -0.044 0.000 1.153 50 A CA 0.687 52.685 52.037 -0.065 0.000 0.756 50 A CB 1.070 20.022 19.000 -0.080 0.000 0.813 50 A HN 0.163 8.260 8.150 -0.088 0.000 0.471 51 N N -4.836 113.840 118.700 -0.040 0.000 2.927 51 N HA 0.250 5.021 4.740 0.051 0.000 0.248 51 N C -2.446 173.144 175.510 0.134 0.000 1.443 51 N CA 0.246 53.304 53.050 0.013 0.000 0.870 51 N CB 4.436 42.869 38.487 -0.090 0.000 1.444 51 N HN -0.468 7.838 8.380 -0.052 0.043 0.519 52 M N 0.403 120.195 119.600 0.319 0.000 2.413 52 M HA 0.224 5.098 4.480 0.497 -0.096 0.287 52 M C -1.238 175.301 176.300 0.398 0.000 1.186 52 M CA -0.107 55.446 55.300 0.421 0.000 0.927 52 M CB 3.793 36.564 32.600 0.284 0.000 1.715 52 M HN 0.535 9.001 8.290 0.293 0.000 0.478 53 M N 1.472 121.144 119.600 0.121 0.000 2.202 53 M HA -0.268 3.908 4.480 -0.508 0.000 0.262 53 M C 0.261 176.588 176.300 0.045 0.000 1.063 53 M CA 2.342 57.502 55.300 -0.233 0.000 1.097 53 M CB 0.381 32.769 32.600 -0.353 0.000 1.382 53 M HN 0.385 8.644 8.290 0.167 0.131 0.413 54 H N -3.951 115.103 119.070 -0.027 0.000 2.750 54 H HA -0.293 4.305 4.556 0.008 -0.037 0.327 54 H C -0.795 174.518 175.328 -0.025 0.000 1.199 54 H CA 0.915 56.959 56.048 -0.006 0.000 1.149 54 H CB -1.594 28.177 29.762 0.015 0.000 1.543 54 H HN 0.181 8.514 8.280 0.135 0.028 0.427 55 G N -3.382 105.408 108.800 -0.018 0.000 3.845 55 G HA2 -0.097 3.848 3.960 -0.024 0.000 0.198 55 G HA3 -0.097 3.854 3.960 -0.014 0.000 0.198 55 G C -1.301 173.573 174.900 -0.043 0.000 0.890 55 G CA 0.170 45.254 45.100 -0.025 0.000 0.885 55 G HN 0.072 8.335 8.290 -0.044 0.000 0.407 56 G N 1.277 110.045 108.800 -0.053 0.000 2.486 56 G HA2 0.197 4.129 3.960 -0.047 0.000 0.272 56 G HA3 0.197 4.123 3.960 -0.056 0.000 0.272 56 G C -1.230 173.646 174.900 -0.041 0.000 1.426 56 G CA -0.887 44.183 45.100 -0.050 0.000 1.058 56 G HN -0.286 7.968 8.290 -0.060 0.000 0.531 57 P HA -0.271 4.127 4.420 -0.036 0.000 0.219 57 P C 0.992 178.276 177.300 -0.027 0.000 1.146 57 P CA 2.170 65.250 63.100 -0.032 0.000 0.808 57 P CB 0.021 31.702 31.700 -0.031 0.000 0.779 58 A N -2.028 120.781 122.820 -0.018 0.000 1.858 58 A HA -0.295 4.024 4.320 -0.002 0.000 0.216 58 A C 1.959 179.520 177.584 -0.038 0.000 1.190 58 A CA 3.572 55.603 52.037 -0.010 0.000 0.617 58 A CB -0.896 18.114 19.000 0.017 0.000 0.827 58 A HN 0.029 8.140 8.150 -0.016 0.029 0.443 59 E N -2.428 117.731 120.200 -0.069 0.000 2.112 59 E HA -0.263 3.995 4.350 -0.153 0.000 0.190 59 E C 2.068 178.612 176.600 -0.093 0.000 0.979 59 E CA 2.321 58.641 56.400 -0.133 0.000 0.814 59 E CB -0.050 29.520 29.700 -0.216 0.000 0.762 59 E HN -0.228 8.098 8.360 -0.057 0.000 0.460 60 K N -1.936 118.426 120.400 -0.063 0.000 2.044 60 K HA -0.270 4.023 4.320 -0.046 0.000 0.210 60 K C 2.270 178.849 176.600 -0.036 0.000 1.049 60 K CA 2.460 58.720 56.287 -0.046 0.000 0.927 60 K CB -0.023 32.454 32.500 -0.038 0.000 0.713 60 K HN 0.074 8.289 8.250 -0.058 0.000 0.443 61 S N -3.357 112.325 115.700 -0.031 0.000 2.345 61 S HA -0.199 4.262 4.470 -0.015 0.000 0.220 61 S C 1.057 175.649 174.600 -0.014 0.000 1.031 61 S CA 1.669 59.859 58.200 -0.017 0.000 0.996 61 S CB 1.029 64.225 63.200 -0.007 0.000 0.882 61 S HN -0.485 7.805 8.310 -0.033 0.000 0.445 62 G N -1.087 107.698 108.800 -0.024 0.000 2.194 62 G HA2 -0.384 3.549 3.960 -0.045 0.000 0.236 62 G HA3 -0.384 3.566 3.960 -0.018 0.000 0.236 62 G C 0.236 175.132 174.900 -0.008 0.000 0.987 62 G CA 0.399 45.484 45.100 -0.024 0.000 0.635 62 G HN -0.483 7.788 8.290 -0.031 0.000 0.520 63 K N -0.467 119.937 120.400 0.006 0.000 2.076 63 K HA -0.128 4.203 4.320 0.019 0.000 0.204 63 K C 0.297 176.904 176.600 0.012 0.000 1.051 63 K CA 1.771 58.069 56.287 0.020 0.000 0.949 63 K CB 0.350 32.877 32.500 0.044 0.000 0.726 63 K HN -0.057 8.128 8.250 0.007 0.069 0.443 64 L N -0.956 120.272 121.223 0.008 0.000 2.281 64 L HA -0.047 4.296 4.340 0.005 0.000 0.285 64 L C -1.945 174.923 176.870 -0.003 0.000 1.074 64 L CA -0.159 54.684 54.840 0.005 0.000 0.817 64 L CB -0.084 41.983 42.059 0.015 0.000 1.168 64 L HN -0.669 7.565 8.230 0.006 0.000 0.434 65 N N 1.006 119.704 118.700 -0.003 0.000 2.357 65 N HA 0.298 5.046 4.740 0.014 0.000 0.284 65 N C -1.326 174.188 175.510 0.006 0.000 1.236 65 N CA -1.395 51.658 53.050 0.005 0.000 0.774 65 N CB 3.810 42.296 38.487 -0.001 0.000 1.534 65 N HN -0.553 7.973 8.380 -0.010 -0.152 0.478 66 I N -1.384 119.204 120.570 0.031 0.000 2.752 66 I HA -0.409 3.896 4.170 0.002 -0.134 0.287 66 I C 1.160 177.262 176.117 -0.026 0.000 1.188 66 I CA 0.480 61.788 61.300 0.013 0.000 1.427 66 I CB -0.988 37.039 38.000 0.044 0.000 1.365 66 I HN 0.513 8.762 8.210 0.064 0.000 0.585 67 G N 5.575 114.340 108.800 -0.059 0.000 2.141 67 G HA2 -0.378 3.520 3.960 -0.103 0.000 0.231 67 G HA3 -0.378 3.542 3.960 -0.067 0.000 0.231 67 G C -1.386 173.434 174.900 -0.133 0.000 0.984 67 G CA 0.024 45.070 45.100 -0.089 0.000 0.660 67 G HN 0.594 8.846 8.290 -0.063 0.000 0.525 68 D N -0.448 119.869 120.400 -0.138 0.000 2.342 68 D HA 0.413 5.043 4.640 -0.197 -0.108 0.243 68 D C -1.833 174.331 176.300 -0.227 0.000 1.019 68 D CA -1.168 52.730 54.000 -0.170 0.000 0.864 68 D CB 2.695 43.431 40.800 -0.106 0.000 1.315 68 D HN -0.772 7.493 8.370 -0.108 0.040 0.468 69 Q N 0.985 120.604 119.800 -0.302 0.000 2.325 69 Q HA 0.738 5.104 4.340 -0.278 -0.192 0.262 69 Q C -0.422 175.460 176.000 -0.197 0.000 0.968 69 Q CA -1.194 54.419 55.803 -0.317 0.000 0.877 69 Q CB 3.126 31.547 28.738 -0.528 0.000 1.253 69 Q HN -0.016 8.065 8.270 -0.315 0.000 0.448 70 I N 5.484 125.983 120.570 -0.119 0.000 2.379 70 I HA -0.135 4.017 4.170 -0.030 0.000 0.290 70 I C -0.962 175.153 176.117 -0.003 0.000 1.063 70 I CA 1.373 62.648 61.300 -0.042 0.000 1.351 70 I CB -0.334 37.656 38.000 -0.017 0.000 1.410 70 I HN 0.349 8.484 8.210 -0.125 0.000 0.505 71 M N 8.315 127.952 119.600 0.062 0.000 2.248 71 M HA -0.090 4.451 4.480 0.102 0.000 0.265 71 M C -0.494 175.871 176.300 0.110 0.000 1.079 71 M CA 1.806 57.187 55.300 0.134 0.000 1.150 71 M CB 1.152 33.951 32.600 0.332 0.000 1.366 71 M HN 0.545 8.882 8.290 0.077 0.000 0.433 72 S N -3.745 112.016 115.700 0.100 0.000 2.537 72 S HA 0.482 5.220 4.470 0.059 -0.232 0.270 72 S C -1.954 172.683 174.600 0.061 0.000 1.142 72 S CA -0.649 57.593 58.200 0.071 0.000 0.870 72 S CB 3.228 66.466 63.200 0.064 0.000 1.112 72 S HN -0.571 7.807 8.310 0.114 0.000 0.466 73 I N 1.301 121.902 120.570 0.051 0.000 2.448 73 I HA 0.365 4.745 4.170 0.065 -0.171 0.281 73 I C -0.097 176.053 176.117 0.054 0.000 1.027 73 I CA -0.898 60.435 61.300 0.055 0.000 1.111 73 I CB 2.521 40.550 38.000 0.048 0.000 1.236 73 I HN 0.648 8.774 8.210 0.045 0.111 0.452 74 N N 9.329 128.069 118.700 0.066 0.000 2.740 74 N HA -0.371 4.415 4.740 0.076 0.000 0.248 74 N C -0.204 175.331 175.510 0.042 0.000 1.062 74 N CA 1.288 54.377 53.050 0.065 0.000 0.704 74 N CB -1.829 36.701 38.487 0.072 0.000 0.968 74 N HN 0.979 9.305 8.380 0.075 0.098 0.547 75 G N -5.576 103.243 108.800 0.031 0.000 2.284 75 G HA2 -0.431 3.537 3.960 0.013 0.000 0.230 75 G HA3 -0.431 3.541 3.960 0.020 0.000 0.230 75 G C -0.243 174.671 174.900 0.023 0.000 1.021 75 G CA 0.120 45.233 45.100 0.021 0.000 0.619 75 G HN 0.245 8.545 8.290 0.033 0.010 0.510 76 T N 6.210 120.781 114.554 0.029 0.000 2.775 76 T HA -0.116 4.249 4.350 0.024 0.000 0.287 76 T C -0.289 174.430 174.700 0.033 0.000 0.909 76 T CA 0.453 62.570 62.100 0.028 0.000 1.081 76 T CB -0.246 68.638 68.868 0.028 0.000 0.891 76 T HN -0.323 7.757 8.240 0.033 0.180 0.544 77 S N 8.348 124.068 115.700 0.033 0.000 2.443 77 S HA -0.121 4.487 4.470 0.051 -0.107 0.284 77 S C 0.239 174.864 174.600 0.042 0.000 1.206 77 S CA 0.818 59.043 58.200 0.042 0.000 1.074 77 S CB -0.071 63.153 63.200 0.039 0.000 0.963 77 S HN 0.411 8.737 8.310 0.027 0.000 0.501 78 L N 4.433 125.684 121.223 0.046 0.000 2.395 78 L HA -0.047 4.312 4.340 0.031 0.000 0.218 78 L C 0.353 177.251 176.870 0.046 0.000 1.130 78 L CA 0.705 55.567 54.840 0.038 0.000 0.826 78 L CB -0.063 42.013 42.059 0.029 0.000 0.941 78 L HN 0.496 8.654 8.230 0.053 0.104 0.451 79 V N -1.334 118.619 119.914 0.064 0.000 2.434 79 V HA -0.408 4.017 4.120 0.082 -0.255 0.281 79 V C 1.269 177.401 176.094 0.062 0.000 1.005 79 V CA 1.777 64.124 62.300 0.078 0.000 1.089 79 V CB -2.072 29.815 31.823 0.107 0.000 0.978 79 V HN -0.666 7.522 8.190 0.071 0.045 0.474 80 G N 8.301 117.137 108.800 0.059 0.000 2.561 80 G HA2 -0.261 3.729 3.960 0.050 0.000 0.203 80 G HA3 -0.261 3.724 3.960 0.042 0.000 0.203 80 G C -0.894 174.028 174.900 0.037 0.000 1.101 80 G CA -0.104 45.025 45.100 0.047 0.000 0.711 80 G HN 0.661 8.990 8.290 0.065 0.000 0.511 81 L N 0.140 121.383 121.223 0.032 0.000 2.453 81 L HA 0.545 4.898 4.340 0.022 0.000 0.261 81 L C -1.064 175.819 176.870 0.022 0.000 1.179 81 L CA -2.017 52.838 54.840 0.024 0.000 0.813 81 L CB -1.161 40.910 42.059 0.020 0.000 1.110 81 L HN -0.658 7.536 8.230 0.034 0.056 0.466 82 P HA 0.047 4.476 4.420 0.016 0.000 0.282 82 P C -0.292 177.011 177.300 0.005 0.000 1.286 82 P CA -0.716 62.391 63.100 0.012 0.000 0.777 82 P CB 1.182 32.887 31.700 0.009 0.000 1.184 83 L N -0.817 120.405 121.223 -0.002 0.000 2.027 83 L HA -0.278 4.053 4.340 -0.015 0.000 0.206 83 L C 1.753 178.616 176.870 -0.011 0.000 1.074 83 L CA 3.254 58.087 54.840 -0.012 0.000 0.745 83 L CB -0.114 41.933 42.059 -0.020 0.000 0.898 83 L HN -0.061 8.450 8.230 -0.000 -0.281 0.433 84 S N -1.232 114.463 115.700 -0.008 0.000 2.365 84 S HA -0.437 4.027 4.470 -0.010 0.000 0.225 84 S C 2.280 176.879 174.600 -0.002 0.000 1.039 84 S CA 3.593 61.789 58.200 -0.006 0.000 1.033 84 S CB -0.535 62.663 63.200 -0.004 0.000 0.887 84 S HN 0.512 8.818 8.310 -0.006 0.000 0.447 85 T N 4.009 118.564 114.554 0.002 0.000 2.737 85 T HA -0.259 4.095 4.350 0.006 0.000 0.265 85 T C 1.850 176.553 174.700 0.006 0.000 1.038 85 T CA 4.180 66.284 62.100 0.006 0.000 1.144 85 T CB -0.135 68.738 68.868 0.009 0.000 0.866 85 T HN -0.299 7.939 8.240 0.002 0.003 0.434 86 C N 1.642 120.944 119.300 0.004 0.000 2.413 86 C HA -0.479 3.987 4.460 0.009 0.000 0.276 86 C C 1.617 176.608 174.990 0.002 0.000 1.236 86 C CA 5.542 64.562 59.018 0.003 0.000 1.735 86 C CB -0.524 27.214 27.740 -0.003 0.000 2.031 86 C HN -0.159 8.009 8.230 0.002 0.064 0.474 87 Q N -0.619 119.178 119.800 -0.004 0.000 2.096 87 Q HA -0.453 3.884 4.340 -0.005 0.000 0.204 87 Q C 2.434 178.438 176.000 0.005 0.000 0.982 87 Q CA 3.436 59.236 55.803 -0.004 0.000 0.850 87 Q CB -0.291 28.439 28.738 -0.013 0.000 0.901 87 Q HN 0.417 8.682 8.270 -0.008 0.000 0.422 88 S N -0.351 115.352 115.700 0.006 0.000 2.399 88 S HA -0.266 4.210 4.470 0.010 0.000 0.231 88 S C 2.108 176.716 174.600 0.013 0.000 1.022 88 S CA 3.391 61.596 58.200 0.009 0.000 0.983 88 S CB -0.381 62.824 63.200 0.008 0.000 0.803 88 S HN -0.541 7.771 8.310 0.003 0.000 0.480 89 I N 0.820 121.398 120.570 0.013 0.000 2.179 89 I HA -0.447 3.733 4.170 0.017 0.000 0.242 89 I C 1.716 177.845 176.117 0.020 0.000 1.088 89 I CA 3.724 65.035 61.300 0.017 0.000 1.357 89 I CB -0.430 37.581 38.000 0.018 0.000 1.051 89 I HN -0.345 7.750 8.210 0.011 0.122 0.409 90 I N -0.982 119.600 120.570 0.020 0.000 2.286 90 I HA -0.495 3.692 4.170 0.028 0.000 0.245 90 I C 2.436 178.568 176.117 0.026 0.000 1.104 90 I CA 3.648 64.963 61.300 0.025 0.000 1.397 90 I CB -0.272 37.743 38.000 0.025 0.000 1.072 90 I HN -0.489 7.731 8.210 0.017 0.000 0.417 91 K N -0.695 119.719 120.400 0.023 0.000 2.152 91 K HA -0.385 3.952 4.320 0.029 0.000 0.206 91 K C 2.644 179.257 176.600 0.020 0.000 1.048 91 K CA 3.464 59.766 56.287 0.024 0.000 0.933 91 K CB -0.522 31.990 32.500 0.021 0.000 0.721 91 K HN 0.184 8.446 8.250 0.020 0.000 0.447 92 G N -2.690 106.121 108.800 0.019 0.000 2.418 92 G HA2 -0.190 3.779 3.960 0.015 0.000 0.217 92 G HA3 -0.190 3.780 3.960 0.017 0.000 0.217 92 G C 0.599 175.509 174.900 0.017 0.000 1.158 92 G CA 1.480 46.590 45.100 0.017 0.000 0.771 92 G HN -0.311 7.869 8.290 0.019 0.122 0.545 93 L N -2.025 119.210 121.223 0.020 0.000 2.727 93 L HA 0.327 4.677 4.340 0.017 0.000 0.237 93 L C -0.518 176.362 176.870 0.016 0.000 1.370 93 L CA -1.187 53.664 54.840 0.019 0.000 1.248 93 L CB -1.853 40.221 42.059 0.025 0.000 1.556 93 L HN -0.716 7.527 8.230 0.022 0.000 0.420 94 K N 1.515 121.923 120.400 0.014 0.000 2.211 94 K HA -0.118 4.210 4.320 0.013 0.000 0.201 94 K C -0.420 176.183 176.600 0.004 0.000 1.052 94 K CA 2.001 58.295 56.287 0.011 0.000 0.973 94 K CB 0.810 33.318 32.500 0.014 0.000 0.766 94 K HN -0.447 7.731 8.250 0.014 0.080 0.466 95 N N 1.172 119.874 118.700 0.004 0.000 3.271 95 N HA 0.101 4.929 4.740 -0.004 -0.090 0.303 95 N C -1.681 173.827 175.510 -0.003 0.000 1.415 95 N CA -0.259 52.790 53.050 -0.001 0.000 1.159 95 N CB -0.730 37.757 38.487 0.000 0.000 1.432 95 N HN -0.014 8.370 8.380 0.006 0.000 0.521 96 Q N -1.174 118.621 119.800 -0.007 0.000 2.458 96 Q HA 0.418 4.752 4.340 -0.009 0.000 0.282 96 Q C -0.815 175.168 176.000 -0.029 0.000 1.106 96 Q CA -1.798 53.998 55.803 -0.012 0.000 0.814 96 Q CB 2.795 31.531 28.738 -0.004 0.000 1.425 96 Q HN -0.627 7.580 8.270 -0.008 0.058 0.437 97 S N -2.119 113.557 115.700 -0.040 0.000 2.517 97 S HA 0.102 4.735 4.470 -0.058 -0.199 0.214 97 S C 0.064 174.595 174.600 -0.116 0.000 0.991 97 S CA 0.593 58.754 58.200 -0.065 0.000 0.906 97 S CB 1.118 64.284 63.200 -0.055 0.000 0.789 97 S HN 0.380 8.671 8.310 -0.031 0.000 0.513 98 R N -0.178 120.249 120.500 -0.123 0.000 2.548 98 R HA 0.177 4.465 4.340 -0.301 -0.129 0.280 98 R C -1.646 174.585 176.300 -0.115 0.000 1.061 98 R CA -0.288 55.669 56.100 -0.238 0.000 0.915 98 R CB 3.554 33.626 30.300 -0.379 0.000 1.210 98 R HN -0.665 7.561 8.270 -0.072 0.000 0.442 99 V N 6.033 125.883 119.914 -0.105 0.000 2.293 99 V HA 0.196 4.470 4.120 0.061 -0.118 0.275 99 V C -1.610 174.606 176.094 0.202 0.000 1.021 99 V CA -0.664 61.661 62.300 0.042 0.000 0.815 99 V CB 0.840 32.678 31.823 0.025 0.000 1.025 99 V HN 0.797 8.745 8.190 -0.202 0.121 0.448 100 K N 8.817 129.399 120.400 0.303 0.000 2.227 100 K HA 0.326 5.102 4.320 0.547 -0.128 0.280 100 K C -1.413 175.285 176.600 0.164 0.000 1.041 100 K CA -0.554 55.945 56.287 0.353 0.000 0.905 100 K CB 1.232 33.899 32.500 0.278 0.000 1.068 100 K HN 0.026 8.678 8.250 0.231 -0.264 0.470 101 L N 4.606 125.909 121.223 0.133 0.000 2.482 101 L HA 0.520 5.105 4.340 0.080 -0.197 0.269 101 L C -1.108 175.811 176.870 0.082 0.000 0.967 101 L CA -0.989 53.905 54.840 0.089 0.000 0.851 101 L CB 2.334 44.440 42.059 0.078 0.000 1.242 101 L HN 0.277 8.503 8.230 0.158 0.099 0.404 102 N N 4.860 123.614 118.700 0.090 0.000 2.482 102 N HA 0.140 4.958 4.740 0.129 0.000 0.242 102 N C -1.102 174.520 175.510 0.188 0.000 1.100 102 N CA 0.771 53.907 53.050 0.144 0.000 0.946 102 N CB 0.617 39.187 38.487 0.139 0.000 1.227 102 N HN 0.325 8.754 8.380 0.083 0.000 0.508 103 I N -0.840 119.801 120.570 0.118 0.000 2.910 103 I HA 0.790 5.038 4.170 -0.022 -0.091 0.310 103 I C -2.258 173.789 176.117 -0.118 0.000 1.043 103 I CA -2.518 58.779 61.300 -0.005 0.000 1.053 103 I CB 4.403 42.384 38.000 -0.032 0.000 1.242 103 I HN 0.063 8.337 8.210 0.107 0.000 0.452 104 V N 2.930 122.653 119.914 -0.317 0.000 2.318 104 V HA 0.164 4.170 4.120 -0.340 -0.090 0.271 104 V C -0.658 175.315 176.094 -0.201 0.000 1.030 104 V CA -0.755 61.314 62.300 -0.385 0.000 0.844 104 V CB 0.440 31.908 31.823 -0.593 0.000 1.015 104 V HN 0.774 8.673 8.190 -0.305 0.107 0.460 105 R N 7.860 128.294 120.500 -0.109 0.000 2.351 105 R HA -0.080 4.385 4.340 -0.082 -0.175 0.318 105 R C -1.016 175.250 176.300 -0.055 0.000 1.055 105 R CA 0.410 56.469 56.100 -0.069 0.000 0.968 105 R CB 0.091 30.374 30.300 -0.029 0.000 0.974 105 R HN 0.601 8.821 8.270 -0.082 0.000 0.439 106 C N 6.679 125.941 119.300 -0.064 0.000 2.975 106 C HA 0.302 4.756 4.460 -0.010 0.000 0.234 106 C C -2.115 172.855 174.990 -0.033 0.000 1.666 106 C CA -3.754 55.245 59.018 -0.032 0.000 1.534 106 C CB 0.941 28.670 27.740 -0.019 0.000 2.642 106 C HN 0.265 8.709 8.230 -0.087 -0.265 0.516 107 P HA 0.432 4.826 4.420 -0.044 0.000 0.291 107 P C -2.539 174.738 177.300 -0.038 0.000 1.340 107 P CA -2.002 61.076 63.100 -0.036 0.000 0.799 107 P CB 0.079 31.761 31.700 -0.029 0.000 0.917 108 P HA -0.052 4.350 4.420 -0.031 0.000 0.264 108 P C -1.462 175.790 177.300 -0.081 0.000 1.229 108 P CA -0.311 62.754 63.100 -0.059 0.000 0.780 108 P CB 0.023 31.679 31.700 -0.073 0.000 0.808 109 V N 6.344 126.234 119.914 -0.040 0.000 2.383 109 V HA 0.474 4.839 4.120 -0.041 -0.269 0.275 109 V C 0.138 176.232 176.094 -0.001 0.000 1.036 109 V CA -1.550 60.735 62.300 -0.025 0.000 0.889 109 V CB 0.765 32.584 31.823 -0.007 0.000 0.985 109 V HN 0.084 8.260 8.190 -0.024 0.000 0.459 110 T N 10.428 124.999 114.554 0.028 0.000 2.824 110 T HA 0.267 4.646 4.350 0.047 0.000 0.280 110 T C -0.915 173.814 174.700 0.049 0.000 0.995 110 T CA -0.693 61.449 62.100 0.069 0.000 1.009 110 T CB 2.208 71.186 68.868 0.184 0.000 0.955 110 T HN 0.580 8.835 8.240 0.025 0.000 0.452 111 T N 9.640 124.207 114.554 0.022 0.000 2.727 111 T HA 0.325 4.893 4.350 0.012 -0.212 0.298 111 T C -0.044 174.653 174.700 -0.004 0.000 0.942 111 T CA 0.221 62.322 62.100 0.003 0.000 0.997 111 T CB 0.438 69.291 68.868 -0.024 0.000 0.917 111 T HN 0.424 8.675 8.240 0.018 0.000 0.487 112 V N 9.187 129.099 119.914 -0.003 0.000 2.353 112 V HA 0.065 4.148 4.120 -0.047 0.009 0.264 112 V C -1.564 174.533 176.094 0.006 0.000 1.049 112 V CA -0.714 61.566 62.300 -0.034 0.000 0.896 112 V CB -0.223 31.545 31.823 -0.093 0.000 1.025 112 V HN 0.866 8.958 8.190 0.009 0.104 0.475 113 L N 9.684 130.916 121.223 0.015 0.000 2.314 113 L HA 0.530 5.219 4.340 0.239 -0.205 0.275 113 L C -1.169 175.728 176.870 0.045 0.000 1.068 113 L CA -1.249 53.650 54.840 0.099 0.000 0.894 113 L CB 0.254 42.348 42.059 0.058 0.000 1.275 113 L HN 0.142 8.233 8.230 -0.014 0.131 0.432 114 I N 5.077 125.659 120.570 0.020 0.000 2.337 114 I HA 0.221 4.382 4.170 -0.015 0.000 0.285 114 I C -1.102 175.009 176.117 -0.010 0.000 1.041 114 I CA -1.256 60.034 61.300 -0.016 0.000 1.199 114 I CB 0.380 38.346 38.000 -0.058 0.000 1.370 114 I HN 0.854 8.987 8.210 0.033 0.097 0.470 115 R N 8.116 128.614 120.500 -0.003 0.000 2.390 115 R HA 0.084 4.554 4.340 -0.041 -0.154 0.291 115 R C -0.656 175.620 176.300 -0.041 0.000 1.070 115 R CA 0.072 56.157 56.100 -0.026 0.000 1.014 115 R CB 0.825 31.114 30.300 -0.019 0.000 1.007 115 R HN 0.374 8.647 8.270 0.005 0.000 0.466 116 R N 4.400 124.857 120.500 -0.072 0.000 2.422 116 R HA 0.410 4.692 4.340 -0.097 0.000 0.307 116 R C -1.119 175.065 176.300 -0.194 0.000 1.004 116 R CA -2.711 53.329 56.100 -0.100 0.000 0.882 116 R CB 1.585 31.866 30.300 -0.031 0.000 1.164 116 R HN -0.203 7.899 8.270 -0.078 0.121 0.489 117 P HA -0.043 4.226 4.420 -0.251 0.000 0.217 117 P C -1.381 175.729 177.300 -0.317 0.000 1.150 117 P CA 1.642 64.500 63.100 -0.403 0.000 0.832 117 P CB 0.261 31.575 31.700 -0.644 0.000 0.787 118 D N -4.844 115.353 120.400 -0.339 0.000 2.552 118 D HA 0.141 4.749 4.640 -0.053 0.000 0.239 118 D C -0.210 176.131 176.300 0.067 0.000 1.139 118 D CA -1.183 52.785 54.000 -0.053 0.000 0.914 118 D CB 3.139 43.998 40.800 0.097 0.000 1.461 118 D HN -0.665 7.371 8.370 -0.557 0.000 0.462 119 L N 0.131 121.394 121.223 0.068 0.000 2.376 119 L HA -0.224 4.145 4.340 0.047 0.000 0.219 119 L C 0.780 177.712 176.870 0.105 0.000 1.133 119 L CA 2.418 57.297 54.840 0.064 0.000 0.816 119 L CB 0.052 42.130 42.059 0.031 0.000 0.933 119 L HN 0.306 8.566 8.230 0.050 0.000 0.449 120 R N -6.196 114.398 120.500 0.156 0.000 2.391 120 R HA -0.094 4.289 4.340 0.072 0.000 0.249 120 R C -0.766 175.604 176.300 0.117 0.000 0.957 120 R CA -0.280 55.890 56.100 0.116 0.000 1.093 120 R CB -0.999 29.348 30.300 0.078 0.000 1.156 120 R HN -0.235 8.102 8.270 0.187 0.046 0.526 121 Y N 0.894 121.201 120.300 0.010 0.000 2.342 121 Y HA 0.029 4.588 4.550 0.014 0.000 0.334 121 Y C -1.228 174.687 175.900 0.025 0.000 1.067 121 Y CA -0.443 57.666 58.100 0.015 0.000 1.128 121 Y CB 1.625 40.092 38.460 0.012 0.000 1.200 121 Y HN -0.751 7.626 8.280 0.322 0.096 0.464 122 Q N 2.512 122.364 119.800 0.087 0.000 2.279 122 Q HA 0.118 4.513 4.340 0.091 0.000 0.256 122 Q C 0.053 176.134 176.000 0.134 0.000 0.937 122 Q CA -0.179 55.675 55.803 0.085 0.000 0.933 122 Q CB 0.354 29.109 28.738 0.028 0.000 1.189 122 Q HN 0.300 8.557 8.270 -0.022 0.000 0.417 123 L N 2.840 124.163 121.223 0.168 0.000 2.017 123 L HA -0.258 4.173 4.340 0.152 0.000 0.208 123 L C 1.269 178.254 176.870 0.192 0.000 1.073 123 L CA 1.391 56.349 54.840 0.197 0.000 0.745 123 L CB 0.339 42.579 42.059 0.302 0.000 0.894 123 L HN 0.436 8.766 8.230 0.166 0.000 0.432 124 G N -5.422 103.517 108.800 0.232 0.000 2.797 124 G HA2 -0.250 3.782 3.960 0.120 0.000 0.192 124 G HA3 -0.250 3.790 3.960 0.133 0.000 0.192 124 G C -1.334 173.744 174.900 0.297 0.000 1.101 124 G CA -0.352 44.857 45.100 0.182 0.000 0.930 124 G HN -0.186 8.247 8.290 0.238 0.000 0.512 125 F N -3.332 116.619 119.950 0.001 0.000 2.944 125 F HA 0.155 4.693 4.527 -0.014 -0.020 0.324 125 F C -3.468 172.333 175.800 0.002 0.000 1.151 125 F CA -1.243 56.753 58.000 -0.005 0.000 0.883 125 F CB 1.829 40.824 39.000 -0.008 0.000 1.341 125 F HN -0.706 7.712 8.300 0.197 0.000 0.456 126 S N 2.172 117.588 115.700 -0.474 0.000 2.594 126 S HA 0.320 4.358 4.470 -0.720 0.000 0.296 126 S C -2.389 171.963 174.600 -0.414 0.000 1.124 126 S CA -0.393 57.485 58.200 -0.536 0.000 1.011 126 S CB 3.121 66.188 63.200 -0.222 0.000 1.016 126 S HN 0.252 8.456 8.310 -0.055 0.074 0.485 127 V N 5.708 125.360 119.914 -0.436 0.000 2.398 127 V HA 0.232 4.384 4.120 0.055 0.000 0.286 127 V C -1.155 174.939 176.094 -0.000 0.000 1.026 127 V CA -1.546 60.709 62.300 -0.074 0.000 0.868 127 V CB 2.381 34.244 31.823 0.067 0.000 0.982 127 V HN 0.505 8.367 8.190 -0.547 0.000 0.443 128 Q N 9.453 129.279 119.800 0.042 0.000 2.607 128 Q HA 0.339 4.719 4.340 0.066 0.000 0.247 128 Q C -0.811 175.253 176.000 0.107 0.000 1.033 128 Q CA -1.246 54.584 55.803 0.045 0.000 0.769 128 Q CB 0.510 29.228 28.738 -0.033 0.000 1.169 128 Q HN 0.710 9.017 8.270 0.062 0.000 0.508 129 N N 2.277 121.076 118.700 0.164 0.000 3.078 129 N HA -0.480 4.561 4.740 0.132 -0.222 0.221 129 N C 0.243 175.826 175.510 0.121 0.000 0.163 129 N CA 3.665 56.798 53.050 0.139 0.000 3.866 129 N CB -0.777 37.790 38.487 0.134 0.000 1.005 129 N HN 0.474 9.034 8.380 0.222 -0.048 0.246 130 G N -4.606 104.271 108.800 0.129 0.000 3.581 130 G HA2 0.276 4.311 3.960 0.125 0.000 0.248 130 G HA3 0.276 4.323 3.960 0.145 0.000 0.248 130 G C -1.950 173.037 174.900 0.146 0.000 1.037 130 G CA 0.024 45.206 45.100 0.137 0.000 0.902 130 G HN 0.248 8.572 8.290 0.128 0.044 0.512 131 I N -0.247 120.398 120.570 0.126 0.000 2.740 131 I HA 0.586 4.990 4.170 0.128 -0.157 0.303 131 I C -1.765 174.416 176.117 0.106 0.000 1.044 131 I CA -3.388 57.977 61.300 0.109 0.000 1.064 131 I CB 3.476 41.511 38.000 0.060 0.000 1.249 131 I HN -0.455 7.823 8.210 0.113 0.000 0.433 132 I N 2.596 123.237 120.570 0.118 0.000 2.385 132 I HA 0.408 4.831 4.170 0.144 -0.167 0.294 132 I C -0.220 175.928 176.117 0.053 0.000 0.988 132 I CA -0.119 61.259 61.300 0.130 0.000 1.265 132 I CB 0.982 39.092 38.000 0.184 0.000 1.388 132 I HN -0.255 8.028 8.210 0.122 0.000 0.480 133 C N 7.230 126.545 119.300 0.026 0.000 2.403 133 C HA 0.160 4.599 4.460 -0.035 0.000 0.380 133 C C -0.635 174.344 174.990 -0.018 0.000 1.490 133 C CA -0.608 58.398 59.018 -0.020 0.000 2.457 133 C CB 1.591 29.306 27.740 -0.041 0.000 2.341 133 C HN 0.186 8.434 8.230 0.031 0.000 0.626 134 S N -0.665 115.026 115.700 -0.015 0.000 2.610 134 S HA 0.091 4.553 4.470 -0.014 0.000 0.273 134 S C -1.944 172.690 174.600 0.057 0.000 1.274 134 S CA 0.407 58.603 58.200 -0.007 0.000 1.023 134 S CB 0.872 64.050 63.200 -0.038 0.000 0.962 134 S HN -0.054 8.235 8.310 -0.035 0.000 0.523 135 L N 3.183 124.437 121.223 0.051 0.000 2.641 135 L HA 0.101 4.690 4.340 0.167 -0.149 0.261 135 L C -1.467 175.432 176.870 0.049 0.000 0.926 135 L CA -0.441 54.451 54.840 0.086 0.000 0.917 135 L CB 3.481 45.571 42.059 0.052 0.000 1.361 135 L HN 0.205 8.448 8.230 0.021 0.000 0.417 136 M N 4.108 123.747 119.600 0.064 0.000 2.184 136 M HA 0.030 4.525 4.480 0.026 0.000 0.351 136 M C -0.487 175.827 176.300 0.023 0.000 1.395 136 M CA -0.018 55.305 55.300 0.038 0.000 1.117 136 M CB 0.988 33.617 32.600 0.047 0.000 1.708 136 M HN 0.483 8.705 8.290 0.103 0.130 0.468 137 R N 5.277 125.784 120.500 0.012 0.000 2.399 137 R HA -0.420 4.299 4.340 0.001 -0.379 0.324 137 R C 1.014 177.318 176.300 0.007 0.000 1.030 137 R CA 1.122 57.224 56.100 0.005 0.000 0.984 137 R CB -0.610 29.692 30.300 0.002 0.000 0.961 137 R HN 0.543 8.819 8.270 0.010 0.000 0.433 138 G N 5.150 113.953 108.800 0.005 0.000 2.142 138 G HA2 -0.335 3.627 3.960 0.003 0.000 0.225 138 G HA3 -0.335 3.630 3.960 0.008 0.000 0.225 138 G C -0.838 174.071 174.900 0.015 0.000 1.015 138 G CA -0.361 44.743 45.100 0.007 0.000 0.716 138 G HN 0.179 8.694 8.290 0.000 -0.224 0.508 139 G N -1.065 107.746 108.800 0.018 0.000 2.583 139 G HA2 0.658 4.641 3.960 0.037 0.000 0.280 139 G HA3 0.658 4.644 3.960 0.043 0.000 0.280 139 G C -0.211 174.704 174.900 0.025 0.000 1.376 139 G CA -1.645 43.475 45.100 0.032 0.000 1.043 139 G HN -0.627 7.672 8.290 0.014 0.000 0.538 140 I N 0.440 121.034 120.570 0.039 0.000 2.333 140 I HA -0.325 3.855 4.170 0.017 0.000 0.246 140 I C 1.804 177.910 176.117 -0.019 0.000 1.106 140 I CA 3.753 65.067 61.300 0.023 0.000 1.411 140 I CB -0.046 37.982 38.000 0.047 0.000 1.082 140 I HN -0.367 7.879 8.210 0.061 0.000 0.420 141 A N -0.200 122.603 122.820 -0.029 0.000 1.908 141 A HA -0.455 3.731 4.320 -0.223 0.000 0.218 141 A C 1.605 179.095 177.584 -0.156 0.000 1.181 141 A CA 3.872 55.811 52.037 -0.163 0.000 0.627 141 A CB -1.003 17.874 19.000 -0.204 0.000 0.818 141 A HN -0.008 8.063 8.150 0.029 0.097 0.445 142 E N -3.175 116.981 120.200 -0.074 0.000 2.106 142 E HA -0.269 4.200 4.350 -0.100 -0.179 0.192 142 E C 1.724 178.288 176.600 -0.060 0.000 0.984 142 E CA 2.198 58.557 56.400 -0.069 0.000 0.806 142 E CB -0.059 29.622 29.700 -0.032 0.000 0.750 142 E HN 0.167 8.510 8.360 -0.029 0.000 0.458 143 R N -2.935 117.542 120.500 -0.038 0.000 2.096 143 R HA -0.234 4.092 4.340 -0.023 0.000 0.235 143 R C 2.395 178.675 176.300 -0.034 0.000 1.127 143 R CA 2.131 58.215 56.100 -0.027 0.000 0.968 143 R CB 0.105 30.398 30.300 -0.011 0.000 0.861 143 R HN -0.547 7.630 8.270 -0.029 0.076 0.440 144 G N -3.966 104.806 108.800 -0.047 0.000 2.524 144 G HA2 -0.121 3.848 3.960 -0.024 0.000 0.215 144 G HA3 -0.121 3.849 3.960 -0.051 -0.041 0.215 144 G C -0.220 174.651 174.900 -0.048 0.000 1.239 144 G CA 1.376 46.450 45.100 -0.043 0.000 0.798 144 G HN -0.221 8.035 8.290 -0.057 0.000 0.557 145 G N -2.198 106.555 108.800 -0.078 0.000 4.130 145 G HA2 0.007 3.939 3.960 -0.046 0.000 0.162 145 G HA3 0.007 4.096 3.960 -0.033 -0.149 0.162 145 G C -1.045 173.783 174.900 -0.120 0.000 1.099 145 G CA -0.533 44.529 45.100 -0.063 0.000 0.889 145 G HN -0.752 7.470 8.290 -0.113 0.000 0.547 146 V N 3.035 122.842 119.914 -0.179 0.000 2.790 146 V HA -0.385 3.625 4.120 -0.184 0.000 0.304 146 V C -1.437 174.487 176.094 -0.283 0.000 1.142 146 V CA 1.675 63.830 62.300 -0.242 0.000 1.282 146 V CB 0.580 32.157 31.823 -0.410 0.000 0.877 146 V HN -0.609 7.466 8.190 -0.191 0.000 0.504 147 R N 5.425 125.668 120.500 -0.428 0.000 2.651 147 R HA 0.167 4.342 4.340 -0.275 0.000 0.278 147 R C -1.662 174.468 176.300 -0.283 0.000 1.010 147 R CA -1.480 54.334 56.100 -0.477 0.000 0.896 147 R CB 4.125 33.888 30.300 -0.895 0.000 1.211 147 R HN 0.204 8.235 8.270 -0.398 0.000 0.456 148 V N 3.436 123.266 119.914 -0.140 0.000 2.434 148 V HA -0.411 3.812 4.120 -0.027 -0.119 0.281 148 V C 0.459 176.527 176.094 -0.044 0.000 1.005 148 V CA 1.278 63.537 62.300 -0.068 0.000 1.089 148 V CB -0.897 30.878 31.823 -0.078 0.000 0.978 148 V HN 0.321 8.430 8.190 -0.135 0.000 0.474 149 G N 5.893 114.703 108.800 0.016 0.000 2.316 149 G HA2 -0.211 3.754 3.960 0.009 0.000 0.203 149 G HA3 -0.211 3.786 3.960 0.061 0.000 0.203 149 G C -0.755 174.254 174.900 0.180 0.000 0.999 149 G CA -0.229 44.909 45.100 0.064 0.000 0.649 149 G HN -0.019 8.287 8.290 0.027 0.000 0.489 150 H N 2.247 121.326 119.070 0.015 0.000 2.307 150 H HA -0.057 4.568 4.556 0.029 -0.052 0.349 150 H C -1.256 174.102 175.328 0.049 0.000 1.754 150 H CA 1.058 57.124 56.048 0.030 0.000 1.431 150 H CB 1.290 31.067 29.762 0.024 0.000 1.666 150 H HN -0.266 8.094 8.280 0.238 0.063 0.582 151 R N -0.268 120.337 120.500 0.174 0.000 2.680 151 R HA 0.349 4.956 4.340 0.149 -0.177 0.278 151 R C -1.441 174.932 176.300 0.122 0.000 1.582 151 R CA -1.422 54.760 56.100 0.137 0.000 1.177 151 R CB 1.525 31.898 30.300 0.122 0.000 1.232 151 R HN 0.567 8.861 8.270 0.148 0.065 0.528 152 I N 5.853 126.506 120.570 0.138 0.000 2.845 152 I HA -0.231 4.140 4.170 0.102 -0.140 0.296 152 I C -0.205 175.968 176.117 0.093 0.000 1.216 152 I CA 2.477 63.847 61.300 0.116 0.000 1.438 152 I CB -0.127 37.958 38.000 0.140 0.000 1.342 152 I HN 0.537 8.842 8.210 0.158 0.000 0.577 153 I N 1.770 122.383 120.570 0.072 0.000 3.789 153 I HA 0.219 4.502 4.170 0.059 -0.077 0.263 153 I C -0.888 175.258 176.117 0.049 0.000 1.013 153 I CA 1.018 62.351 61.300 0.056 0.000 2.054 153 I CB 1.581 39.606 38.000 0.042 0.000 1.612 153 I HN 0.599 8.850 8.210 0.067 0.000 0.449 154 E N 1.979 122.204 120.200 0.042 0.000 1.893 154 E HA 0.047 4.548 4.350 0.037 -0.129 0.269 154 E C -0.858 175.768 176.600 0.044 0.000 1.129 154 E CA -0.185 56.238 56.400 0.039 0.000 0.904 154 E CB -1.226 28.493 29.700 0.032 0.000 1.077 154 E HN -0.081 8.302 8.360 0.039 0.000 0.407 155 I N 4.649 125.247 120.570 0.046 0.000 2.291 155 I HA -0.116 4.083 4.170 0.048 0.000 0.292 155 I C -0.453 175.687 176.117 0.037 0.000 1.064 155 I CA -0.020 61.308 61.300 0.046 0.000 1.269 155 I CB -1.272 36.759 38.000 0.052 0.000 1.418 155 I HN 0.766 8.925 8.210 0.046 0.078 0.485 156 N N 8.074 126.801 118.700 0.044 0.000 2.735 156 N HA -0.376 4.433 4.740 0.061 -0.033 0.248 156 N C -0.131 175.398 175.510 0.031 0.000 1.083 156 N CA 1.365 54.437 53.050 0.037 0.000 0.703 156 N CB -2.004 36.484 38.487 0.002 0.000 1.005 156 N HN 1.034 9.364 8.380 0.060 0.086 0.550 157 G N -5.604 103.216 108.800 0.034 0.000 2.175 157 G HA2 -0.504 3.645 3.960 0.028 0.000 0.244 157 G HA3 -0.504 3.471 3.960 0.025 0.000 0.244 157 G C -1.306 173.609 174.900 0.025 0.000 0.982 157 G CA -0.038 45.079 45.100 0.028 0.000 0.641 157 G HN 0.284 8.582 8.290 0.040 0.015 0.527 158 Q N 1.752 121.569 119.800 0.027 0.000 2.347 158 Q HA 0.173 4.527 4.340 0.024 0.000 0.262 158 Q C -1.216 174.804 176.000 0.033 0.000 0.980 158 Q CA -1.169 54.650 55.803 0.028 0.000 0.867 158 Q CB 1.883 30.638 28.738 0.028 0.000 1.242 158 Q HN -0.233 7.849 8.270 0.030 0.206 0.453 159 S N 7.859 123.577 115.700 0.029 0.000 2.414 159 S HA 0.034 4.637 4.470 0.035 -0.113 0.290 159 S C 0.600 175.221 174.600 0.035 0.000 1.160 159 S CA 1.474 59.692 58.200 0.031 0.000 1.069 159 S CB 0.039 63.254 63.200 0.024 0.000 1.012 159 S HN 0.737 9.038 8.310 0.025 0.024 0.510 160 V N 2.533 122.474 119.914 0.046 0.000 3.621 160 V HA 0.338 4.485 4.120 0.045 0.000 0.285 160 V C 1.075 177.204 176.094 0.058 0.000 1.346 160 V CA -0.542 61.790 62.300 0.054 0.000 1.104 160 V CB 0.606 32.471 31.823 0.070 0.000 0.913 160 V HN 1.128 9.239 8.190 0.050 0.110 0.432 161 V N 3.791 123.735 119.914 0.051 0.000 2.380 161 V HA -0.359 3.937 4.120 0.071 -0.134 0.251 161 V C -0.204 175.914 176.094 0.041 0.000 1.063 161 V CA 2.785 65.115 62.300 0.050 0.000 1.055 161 V CB -0.448 31.394 31.823 0.031 0.000 0.657 161 V HN -0.342 7.811 8.190 0.044 0.063 0.455 162 A N -5.444 117.393 122.820 0.027 0.000 2.713 162 A HA 0.229 4.562 4.320 0.023 0.000 0.296 162 A C -1.150 176.449 177.584 0.025 0.000 1.255 162 A CA -0.901 51.147 52.037 0.019 0.000 0.955 162 A CB 0.008 19.009 19.000 0.002 0.000 1.149 162 A HN 0.003 8.154 8.150 0.026 0.015 0.538 163 T N 3.034 117.610 114.554 0.036 0.000 2.855 163 T HA 0.402 4.762 4.350 0.017 0.000 0.281 163 T C -2.738 171.982 174.700 0.033 0.000 1.007 163 T CA -1.877 60.240 62.100 0.029 0.000 1.009 163 T CB 0.645 69.533 68.868 0.033 0.000 0.983 163 T HN -0.323 7.759 8.240 0.047 0.187 0.455 164 P HA -0.016 4.555 4.420 0.016 -0.141 0.267 164 P C 0.425 177.697 177.300 -0.046 0.000 1.201 164 P CA -0.322 62.753 63.100 -0.042 0.000 0.775 164 P CB 0.697 32.318 31.700 -0.132 0.000 0.854 165 H N 2.002 121.081 119.070 0.015 0.000 2.387 165 H HA -0.357 4.241 4.556 0.017 -0.032 0.299 165 H C 1.897 177.227 175.328 0.004 0.000 1.090 165 H CA 4.336 60.388 56.048 0.007 0.000 1.332 165 H CB -0.418 29.338 29.762 -0.011 0.000 1.386 165 H HN 0.508 8.816 8.280 0.047 0.000 0.516 166 E N 0.896 120.803 120.200 -0.489 0.000 2.110 166 E HA -0.223 4.078 4.350 -0.081 0.000 0.193 166 E C 2.675 179.229 176.600 -0.077 0.000 0.988 166 E CA 3.328 59.588 56.400 -0.234 0.000 0.804 166 E CB -0.715 28.794 29.700 -0.319 0.000 0.745 166 E HN 0.591 8.287 8.360 -1.108 0.000 0.458 167 K N -1.162 119.191 120.400 -0.078 0.000 2.001 167 K HA -0.299 4.038 4.320 0.029 0.000 0.208 167 K C 2.193 178.843 176.600 0.082 0.000 1.048 167 K CA 3.419 59.714 56.287 0.013 0.000 0.932 167 K CB -0.225 32.273 32.500 -0.004 0.000 0.715 167 K HN -0.257 7.895 8.250 -0.145 0.011 0.437 168 I N -0.466 120.144 120.570 0.067 0.000 2.163 168 I HA -0.493 3.736 4.170 0.099 0.000 0.243 168 I C 1.871 178.056 176.117 0.114 0.000 1.085 168 I CA 4.076 65.436 61.300 0.100 0.000 1.347 168 I CB -0.108 37.963 38.000 0.118 0.000 1.044 168 I HN -0.545 7.690 8.210 0.041 0.000 0.408 169 V N -0.437 119.529 119.914 0.088 0.000 2.490 169 V HA -0.614 3.539 4.120 0.056 0.000 0.250 169 V C 1.919 178.080 176.094 0.111 0.000 1.061 169 V CA 4.436 66.778 62.300 0.069 0.000 1.064 169 V CB -0.294 31.548 31.823 0.031 0.000 0.670 169 V HN -0.135 8.097 8.190 0.071 0.000 0.461 170 H N 1.123 120.201 119.070 0.014 0.000 2.293 170 H HA -0.288 4.274 4.556 0.010 0.000 0.300 170 H C 2.037 177.380 175.328 0.024 0.000 1.082 170 H CA 3.701 59.756 56.048 0.012 0.000 1.308 170 H CB -0.048 29.712 29.762 -0.003 0.000 1.375 170 H HN -0.620 7.646 8.280 0.188 0.127 0.495 171 I N -0.718 119.850 120.570 -0.004 0.000 2.091 171 I HA -0.529 3.556 4.170 -0.142 0.000 0.239 171 I C 2.376 178.466 176.117 -0.046 0.000 1.061 171 I CA 4.454 65.718 61.300 -0.059 0.000 1.317 171 I CB -0.264 37.745 38.000 0.015 0.000 1.031 171 I HN -0.525 7.747 8.210 0.104 0.000 0.401 172 L N -3.002 118.242 121.223 0.035 0.000 2.131 172 L HA -0.384 3.983 4.340 0.045 0.000 0.210 172 L C 2.579 179.474 176.870 0.043 0.000 1.092 172 L CA 2.826 57.709 54.840 0.071 0.000 0.759 172 L CB -1.093 41.083 42.059 0.196 0.000 0.903 172 L HN -0.446 7.828 8.230 0.073 0.000 0.435 173 S N -1.059 114.650 115.700 0.014 0.000 2.423 173 S HA -0.215 4.280 4.470 0.042 0.000 0.231 173 S C 0.193 174.765 174.600 -0.047 0.000 1.014 173 S CA 3.162 61.366 58.200 0.006 0.000 0.965 173 S CB 0.093 63.313 63.200 0.033 0.000 0.785 173 S HN 0.092 8.190 8.310 0.013 0.219 0.495 174 N N -1.184 117.438 118.700 -0.130 0.000 2.365 174 N HA 0.115 4.805 4.740 -0.082 0.000 0.257 174 N C -1.629 173.818 175.510 -0.105 0.000 1.287 174 N CA -0.111 52.855 53.050 -0.139 0.000 0.882 174 N CB 1.515 39.847 38.487 -0.259 0.000 1.250 174 N HN -0.379 7.756 8.380 -0.161 0.149 0.507 175 A N 1.011 123.788 122.820 -0.071 0.000 3.264 175 A HA 0.217 4.493 4.320 -0.074 0.000 0.299 175 A C -0.929 176.618 177.584 -0.062 0.000 1.272 175 A CA -0.727 51.270 52.037 -0.065 0.000 1.030 175 A CB 0.034 19.001 19.000 -0.054 0.000 1.102 175 A HN -0.749 7.273 8.150 -0.051 0.097 0.615 176 V N -3.336 116.544 119.914 -0.057 0.000 2.694 176 V HA -0.370 3.780 4.120 -0.056 -0.064 0.306 176 V C 0.257 176.304 176.094 -0.078 0.000 1.054 176 V CA 0.618 62.882 62.300 -0.061 0.000 1.161 176 V CB -0.592 31.198 31.823 -0.054 0.000 0.916 176 V HN -0.758 7.333 8.190 -0.055 0.066 0.490 177 G N 7.079 115.826 108.800 -0.089 0.000 1.829 177 G HA2 -0.117 3.792 3.960 -0.085 0.000 0.214 177 G HA3 -0.117 3.784 3.960 -0.098 0.000 0.214 177 G C -1.741 173.096 174.900 -0.104 0.000 1.627 177 G CA 0.127 45.170 45.100 -0.094 0.000 1.390 177 G HN 0.436 8.557 8.290 -0.090 0.115 0.458 178 E N 2.071 122.169 120.200 -0.170 0.000 2.642 178 E HA 0.156 4.442 4.350 -0.107 0.000 0.284 178 E C -1.734 174.584 176.600 -0.470 0.000 1.039 178 E CA -0.937 55.326 56.400 -0.230 0.000 0.777 178 E CB 1.370 30.978 29.700 -0.153 0.000 1.473 178 E HN 0.066 8.308 8.360 -0.195 0.000 0.388 179 I N 4.913 125.352 120.570 -0.220 0.000 2.494 179 I HA -0.234 3.809 4.170 -0.211 0.000 0.289 179 I C -1.295 174.792 176.117 -0.050 0.000 1.106 179 I CA 0.819 62.021 61.300 -0.164 0.000 1.369 179 I CB 0.340 38.304 38.000 -0.060 0.000 1.410 179 I HN 0.723 8.768 8.210 -0.120 0.094 0.523 180 H N 9.074 128.132 119.070 -0.020 0.000 2.551 180 H HA 0.600 5.315 4.556 -0.027 -0.175 0.321 180 H C -0.622 174.699 175.328 -0.013 0.000 1.028 180 H CA -2.087 53.950 56.048 -0.019 0.000 1.215 180 H CB 1.027 30.781 29.762 -0.013 0.000 1.414 180 H HN 0.157 8.642 8.280 -0.166 -0.305 0.480 181 M N 0.359 120.019 119.600 0.100 0.000 2.667 181 M HA 0.820 5.502 4.480 0.064 -0.163 0.286 181 M C -2.147 174.178 176.300 0.042 0.000 1.270 181 M CA -1.631 53.703 55.300 0.057 0.000 0.826 181 M CB 4.876 37.497 32.600 0.036 0.000 1.743 181 M HN 0.243 8.587 8.290 0.089 0.000 0.460 182 K N -0.559 119.866 120.400 0.041 0.000 2.203 182 K HA 0.779 5.298 4.320 0.034 -0.178 0.251 182 K C -0.525 176.105 176.600 0.049 0.000 0.944 182 K CA -1.521 54.788 56.287 0.037 0.000 0.829 182 K CB 3.246 35.764 32.500 0.030 0.000 1.125 182 K HN 0.237 8.395 8.250 0.044 0.118 0.430 183 T N -0.088 114.501 114.554 0.058 0.000 2.928 183 T HA 0.423 4.959 4.350 0.078 -0.139 0.296 183 T C -1.385 173.323 174.700 0.014 0.000 1.000 183 T CA -1.215 60.934 62.100 0.081 0.000 0.989 183 T CB 1.637 70.614 68.868 0.181 0.000 1.005 183 T HN 0.278 8.548 8.240 0.050 0.000 0.442 184 M N 4.504 124.105 119.600 0.003 0.000 2.527 184 M HA 0.619 5.200 4.480 -0.074 -0.145 0.283 184 M C -2.159 174.085 176.300 -0.093 0.000 1.188 184 M CA -2.089 53.183 55.300 -0.045 0.000 0.941 184 M CB 2.542 35.141 32.600 -0.003 0.000 1.498 184 M HN 1.014 9.234 8.290 0.039 0.094 0.510 185 P HA 0.195 4.522 4.420 -0.155 0.000 0.293 185 P C -1.879 175.431 177.300 0.015 0.000 1.300 185 P CA -0.914 62.135 63.100 -0.085 0.000 0.792 185 P CB 0.587 32.237 31.700 -0.083 0.000 0.925 186 A N 4.942 127.788 122.820 0.042 0.000 2.336 186 A HA 0.118 4.519 4.320 0.134 0.000 0.278 186 A C -0.948 176.658 177.584 0.038 0.000 1.371 186 A CA -1.446 50.631 52.037 0.067 0.000 0.842 186 A CB 1.038 20.064 19.000 0.043 0.000 1.363 186 A HN -0.513 7.658 8.150 0.034 0.000 0.517 187 A N -1.180 121.622 122.820 -0.031 0.000 2.520 187 A HA -0.193 4.143 4.320 0.025 0.000 0.235 187 A C -0.181 177.425 177.584 0.038 0.000 1.065 187 A CA 0.470 52.499 52.037 -0.012 0.000 0.764 187 A CB 0.078 19.031 19.000 -0.078 0.000 1.002 187 A HN 0.125 8.195 8.150 -0.133 0.000 0.502 188 M N 1.587 121.213 119.600 0.043 0.000 2.238 188 M HA -0.140 4.385 4.480 0.074 0.000 0.350 188 M C -0.255 176.108 176.300 0.105 0.000 1.321 188 M CA 0.282 55.618 55.300 0.060 0.000 1.097 188 M CB 0.360 32.971 32.600 0.018 0.000 1.713 188 M HN 0.285 8.593 8.290 0.031 0.000 0.455 189 Y N 6.327 126.625 120.300 -0.002 0.000 2.365 189 Y HA -0.019 4.529 4.550 -0.004 0.000 0.340 189 Y C -0.483 175.416 175.900 -0.002 0.000 1.016 189 Y CA -0.033 58.066 58.100 -0.000 0.000 1.196 189 Y CB 0.712 39.177 38.460 0.008 0.000 1.167 189 Y HN 0.213 8.624 8.280 0.218 0.000 0.509 190 R N 8.718 128.944 120.500 -0.457 0.000 4.017 190 R HA 0.055 4.210 4.340 -0.307 0.000 0.272 190 R C -1.128 174.792 176.300 -0.635 0.000 1.516 190 R CA -1.882 53.969 56.100 -0.416 0.000 1.519 190 R CB -1.166 29.010 30.300 -0.206 0.000 1.422 190 R HN 0.511 8.582 8.270 -0.332 0.000 0.719 191 L N -1.673 118.911 121.223 -1.065 0.000 3.600 191 L HA -0.615 3.160 4.340 -0.942 0.000 0.056 191 L C 0.880 177.496 176.870 -0.423 0.000 4.125 191 L CA 2.781 57.179 54.840 -0.737 0.000 0.980 191 L CB -2.065 39.848 42.059 -0.244 0.000 3.352 191 L HN -0.062 7.375 8.230 -1.217 0.062 0.677 192 L N -5.911 115.184 121.223 -0.214 0.000 2.688 192 L HA 0.211 4.500 4.340 -0.085 0.000 0.216 192 L C 0.022 176.838 176.870 -0.089 0.000 1.036 192 L CA 0.525 55.303 54.840 -0.104 0.000 0.906 192 L CB 0.012 42.046 42.059 -0.042 0.000 1.501 192 L HN -0.158 7.955 8.230 -0.196 0.000 0.489 193 T N -1.981 112.520 114.554 -0.089 0.000 2.734 193 T HA -0.108 4.213 4.350 -0.048 0.000 0.314 193 T C 0.007 174.663 174.700 -0.073 0.000 1.057 193 T CA 0.060 62.120 62.100 -0.066 0.000 1.047 193 T CB 0.604 69.437 68.868 -0.058 0.000 0.991 193 T HN -0.557 7.625 8.240 -0.097 0.000 0.540 194 A N 0.818 123.607 122.820 -0.051 0.000 2.089 194 A HA -0.117 4.182 4.320 -0.036 0.000 0.260 194 A C -0.013 177.549 177.584 -0.036 0.000 1.378 194 A CA 0.606 52.615 52.037 -0.046 0.000 0.714 194 A CB -0.836 18.128 19.000 -0.059 0.000 1.180 194 A HN 0.073 8.198 8.150 -0.042 0.000 0.304 195 Q N -0.891 118.896 119.800 -0.022 0.000 2.250 195 Q HA -0.099 4.234 4.340 -0.011 0.000 0.200 195 Q C -0.051 175.950 176.000 0.001 0.000 0.941 195 Q CA 0.680 56.477 55.803 -0.010 0.000 0.872 195 Q CB 0.453 29.187 28.738 -0.006 0.000 0.965 195 Q HN 0.338 8.596 8.270 -0.021 0.000 0.480 196 E N 1.348 121.548 120.200 0.000 0.000 2.366 196 E HA 0.061 4.422 4.350 0.019 0.000 0.266 196 E C -0.626 175.985 176.600 0.017 0.000 1.051 196 E CA 0.066 56.473 56.400 0.011 0.000 0.884 196 E CB 0.469 30.172 29.700 0.006 0.000 1.006 196 E HN -0.247 8.109 8.360 -0.007 0.000 0.417 197 Q N 4.072 123.901 119.800 0.048 0.000 2.314 197 Q HA 0.129 4.507 4.340 0.063 0.000 0.258 197 Q C -1.422 174.587 176.000 0.016 0.000 0.954 197 Q CA -1.130 54.722 55.803 0.081 0.000 0.890 197 Q CB -0.352 28.512 28.738 0.211 0.000 1.210 197 Q HN 0.080 8.384 8.270 0.056 0.000 0.410 198 P HA -0.012 4.344 4.420 -0.107 0.000 0.273 198 P C -1.203 175.957 177.300 -0.234 0.000 1.250 198 P CA -0.552 62.442 63.100 -0.177 0.000 0.793 198 P CB 0.662 32.213 31.700 -0.248 0.000 1.011 199 V N -0.809 119.004 119.914 -0.169 0.000 2.509 199 V HA -0.211 3.893 4.120 -0.026 0.000 0.297 199 V C -0.530 175.453 176.094 -0.184 0.000 1.014 199 V CA 1.309 63.545 62.300 -0.106 0.000 1.127 199 V CB -0.337 31.447 31.823 -0.064 0.000 0.925 199 V HN 0.218 8.326 8.190 -0.138 0.000 0.480 200 Y N 6.941 127.242 120.300 0.001 0.000 2.369 200 Y HA 0.321 5.076 4.550 0.003 -0.202 0.337 200 Y C 0.773 176.674 175.900 0.003 0.000 0.961 200 Y CA -1.158 56.944 58.100 0.003 0.000 1.186 200 Y CB 0.653 39.118 38.460 0.007 0.000 1.139 200 Y HN -0.264 8.107 8.280 0.152 0.000 0.494 201 I N 0.000 120.657 120.570 0.146 0.000 2.984 201 I HA 0.000 4.216 4.170 0.077 0.000 0.288 201 I CA 0.000 61.354 61.300 0.090 0.000 1.566 201 I CB 0.000 38.028 38.000 0.046 0.000 1.214 201 I HN 0.000 8.279 8.210 0.116 0.000 0.494