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 2wnn_1_C DATA FIRST_RESID 2 DATA SEQUENCE ATNLRGVMAA LLTPFDQQQA LDKASLRRLV QFNIQQGIDG LYVGGSTGEA DATA SEQUENCE FVQSLSEREQ VLEIVAEEAK GKIKLIAHVG CVSTAESQQL AASAKRYGFD DATA SEQUENCE AVSAVTPFYY PFSFEEHCDH YRAIIDSADG LPMVVYNIPA LSGVKLTLDQ DATA SEQUENCE INTLVTLPGV GALXQTSGDL YQMEQIRREH PDLVLYNGYD EIFASGLLAG DATA SEQUENCE ADGGIGSTYN IMGWRYQGIV KALKEGDIQT AQKLQTECNK VIDLLIKTGV DATA SEQUENCE FRGLKTVLHY MDVVSVPLCR KPFGPVDEKY LPELKALAQQ LMQER 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.597 177.584 0.022 0.000 1.274 2 A CA 0.000 52.054 52.037 0.028 0.000 0.836 2 A CB 0.000 19.016 19.000 0.027 0.000 0.831 3 T N 1.668 116.230 114.554 0.012 0.000 2.822 3 T HA -0.190 4.193 4.350 0.056 0.000 0.270 3 T C 1.480 176.193 174.700 0.022 0.000 1.064 3 T CA 2.133 64.236 62.100 0.006 0.000 1.131 3 T CB -0.877 67.990 68.868 -0.000 0.000 0.858 3 T HN 0.672 8.912 8.240 -0.000 0.000 0.483 4 N N 1.425 120.145 118.700 0.033 0.000 2.430 4 N HA -0.055 4.718 4.740 0.056 0.000 0.186 4 N C 1.367 176.918 175.510 0.068 0.000 1.032 4 N CA 0.882 53.959 53.050 0.045 0.000 0.893 4 N CB -0.670 37.842 38.487 0.041 0.000 0.957 4 N HN 0.566 8.946 8.380 -0.000 0.000 0.442 5 L N -0.852 120.418 121.223 0.079 0.000 2.591 5 L HA 0.165 4.539 4.340 0.056 0.000 0.228 5 L C 1.144 178.103 176.870 0.149 0.000 1.133 5 L CA -0.306 54.620 54.840 0.142 0.000 0.880 5 L CB -0.182 41.981 42.059 0.173 0.000 1.033 5 L HN 0.028 8.258 8.230 -0.000 0.000 0.450 6 R N 0.906 121.439 120.500 0.055 0.000 2.537 6 R HA 0.407 4.781 4.340 0.056 0.000 0.280 6 R C 0.205 176.575 176.300 0.118 0.000 1.058 6 R CA 0.910 57.019 56.100 0.015 0.000 1.057 6 R CB 0.482 30.778 30.300 -0.007 0.000 0.973 6 R HN 0.199 8.469 8.270 -0.000 0.000 0.438 7 G N 1.086 109.996 108.800 0.184 0.000 2.352 7 G HA2 0.042 4.036 3.960 0.056 0.000 0.283 7 G HA3 0.042 4.036 3.960 0.056 0.000 0.283 7 G C -1.771 173.316 174.900 0.312 0.000 1.308 7 G CA -0.768 44.463 45.100 0.218 0.000 0.892 7 G HN 0.466 8.756 8.290 -0.000 0.000 0.504 8 V N 1.981 122.032 119.914 0.229 0.000 2.311 8 V HA 0.597 4.750 4.120 0.056 0.000 0.275 8 V C -0.163 176.052 176.094 0.201 0.000 1.022 8 V CA -0.396 62.023 62.300 0.198 0.000 0.830 8 V CB 1.066 32.882 31.823 -0.011 0.000 1.012 8 V HN 0.588 8.778 8.190 -0.000 0.000 0.452 9 M N 4.274 124.022 119.600 0.247 0.000 2.125 9 M HA 0.556 5.069 4.480 0.056 0.000 0.321 9 M C 0.111 176.453 176.300 0.071 0.000 0.983 9 M CA -0.767 54.603 55.300 0.116 0.000 0.934 9 M CB 1.375 33.956 32.600 -0.031 0.000 1.542 9 M HN 0.564 8.854 8.290 -0.000 0.000 0.424 10 A N 2.944 125.826 122.820 0.102 0.000 2.491 10 A HA 0.550 4.904 4.320 0.056 0.000 0.261 10 A C 0.763 178.266 177.584 -0.136 0.000 1.101 10 A CA -0.309 51.711 52.037 -0.029 0.000 0.772 10 A CB -0.106 18.931 19.000 0.062 0.000 1.043 10 A HN 0.948 9.098 8.150 -0.000 0.000 0.501 11 A N 3.574 126.213 122.820 -0.301 0.000 2.535 11 A HA 0.365 4.719 4.320 0.056 0.000 0.290 11 A C 0.324 177.806 177.584 -0.171 0.000 1.270 11 A CA -0.172 51.743 52.037 -0.202 0.000 0.937 11 A CB -0.758 18.051 19.000 -0.319 0.000 1.096 11 A HN 1.093 9.243 8.150 -0.000 0.000 0.534 12 L N 3.203 124.363 121.223 -0.106 0.000 2.499 12 L HA 0.181 4.555 4.340 0.056 0.000 0.273 12 L C 0.188 176.944 176.870 -0.190 0.000 1.195 12 L CA 0.544 55.313 54.840 -0.118 0.000 0.882 12 L CB 0.250 42.263 42.059 -0.077 0.000 1.133 12 L HN 0.612 8.842 8.230 -0.000 0.000 0.483 13 L N 3.799 124.899 121.223 -0.206 0.000 2.456 13 L HA 0.363 4.737 4.340 0.056 0.000 0.257 13 L C 0.321 177.029 176.870 -0.271 0.000 1.162 13 L CA -0.334 54.345 54.840 -0.268 0.000 0.808 13 L CB 0.758 42.675 42.059 -0.236 0.000 1.136 13 L HN 0.566 8.796 8.230 -0.000 0.000 0.466 14 T N 1.962 116.307 114.554 -0.349 0.000 2.821 14 T HA 0.355 4.738 4.350 0.056 0.000 0.307 14 T C -2.492 171.741 174.700 -0.778 0.000 1.034 14 T CA -1.284 60.520 62.100 -0.493 0.000 0.953 14 T CB 1.287 69.851 68.868 -0.507 0.000 0.968 14 T HN 0.235 8.475 8.240 -0.000 0.000 0.462 15 P HA 0.444 4.864 4.420 -0.000 0.000 0.275 15 P C -0.877 176.020 177.300 -0.671 0.000 1.227 15 P CA -0.328 62.485 63.100 -0.478 0.000 0.781 15 P CB 0.439 31.991 31.700 -0.246 0.000 0.906 16 F N 0.640 120.562 119.950 -0.046 0.000 2.654 16 F HA 0.466 5.028 4.527 0.057 0.000 0.334 16 F C 0.689 176.470 175.800 -0.031 0.000 1.078 16 F CA -0.479 57.502 58.000 -0.032 0.000 0.986 16 F CB 0.868 39.854 39.000 -0.023 0.000 1.362 16 F HN 0.261 8.561 8.300 -0.000 0.000 0.498 17 D N -0.876 119.644 120.400 0.199 0.000 2.592 17 D HA 0.266 4.940 4.640 0.056 0.000 0.259 17 D C 0.541 176.883 176.300 0.070 0.000 1.144 17 D CA -0.585 53.471 54.000 0.093 0.000 1.080 17 D CB 0.479 41.315 40.800 0.061 0.000 1.225 17 D HN 0.405 8.775 8.370 -0.000 0.000 0.619 18 Q N -1.337 118.483 119.800 0.033 0.000 2.291 18 Q HA -0.141 4.233 4.340 0.056 0.000 0.206 18 Q C 1.331 177.339 176.000 0.013 0.000 0.976 18 Q CA 1.687 57.501 55.803 0.017 0.000 0.875 18 Q CB -0.116 28.626 28.738 0.007 0.000 0.927 18 Q HN 0.412 8.682 8.270 -0.000 0.000 0.450 19 Q N -0.186 119.626 119.800 0.021 0.000 2.444 19 Q HA 0.073 4.447 4.340 0.056 0.000 0.206 19 Q C -0.132 175.869 176.000 0.001 0.000 0.948 19 Q CA 0.517 56.327 55.803 0.012 0.000 0.946 19 Q CB 0.412 29.161 28.738 0.018 0.000 1.027 19 Q HN 0.392 8.662 8.270 -0.000 0.000 0.513 20 Q N -2.699 117.103 119.800 0.003 0.000 2.424 20 Q HA -0.227 4.146 4.340 0.056 0.000 0.234 20 Q C -0.272 175.740 176.000 0.021 0.000 0.748 20 Q CA 0.439 56.203 55.803 -0.064 0.000 1.286 20 Q CB -2.157 26.493 28.738 -0.146 0.000 1.494 20 Q HN 0.395 8.665 8.270 -0.000 0.000 0.683 21 A N 0.645 123.528 122.820 0.105 0.000 2.313 21 A HA 0.555 4.908 4.320 0.056 0.000 0.261 21 A C 0.372 178.119 177.584 0.271 0.000 1.090 21 A CA -0.432 51.692 52.037 0.145 0.000 0.807 21 A CB 0.409 19.457 19.000 0.080 0.000 1.055 21 A HN 0.277 8.427 8.150 -0.000 0.000 0.492 22 L N 1.293 122.646 121.223 0.216 0.000 2.513 22 L HA 0.050 4.423 4.340 0.056 0.000 0.272 22 L C 0.071 176.955 176.870 0.024 0.000 1.187 22 L CA -0.005 54.899 54.840 0.107 0.000 0.895 22 L CB 0.277 42.359 42.059 0.037 0.000 1.147 22 L HN 0.666 8.896 8.230 -0.000 0.000 0.483 23 D N 3.780 124.151 120.400 -0.048 0.000 2.500 23 D HA 0.087 4.761 4.640 0.056 0.000 0.219 23 D C 0.873 177.128 176.300 -0.074 0.000 1.137 23 D CA -0.166 53.807 54.000 -0.045 0.000 0.946 23 D CB 0.709 41.483 40.800 -0.044 0.000 1.022 23 D HN 0.395 8.765 8.370 -0.000 0.000 0.518 24 K N 1.458 121.826 120.400 -0.053 0.000 2.148 24 K HA -0.072 4.282 4.320 0.056 0.000 0.204 24 K C 1.879 178.450 176.600 -0.048 0.000 1.050 24 K CA 0.957 57.210 56.287 -0.058 0.000 0.942 24 K CB 0.179 32.652 32.500 -0.045 0.000 0.724 24 K HN 0.319 8.569 8.250 -0.000 0.000 0.446 25 A N 1.291 124.090 122.820 -0.034 0.000 1.877 25 A HA -0.171 4.183 4.320 0.056 0.000 0.216 25 A C 2.222 179.788 177.584 -0.030 0.000 1.186 25 A CA 1.936 53.957 52.037 -0.026 0.000 0.620 25 A CB -0.563 18.428 19.000 -0.015 0.000 0.822 25 A HN 0.178 8.328 8.150 -0.000 0.000 0.443 26 S N -0.632 115.044 115.700 -0.040 0.000 2.406 26 S HA -0.090 4.414 4.470 0.056 0.000 0.228 26 S C 1.832 176.392 174.600 -0.067 0.000 1.020 26 S CA 1.182 59.352 58.200 -0.049 0.000 0.965 26 S CB -0.395 62.770 63.200 -0.057 0.000 0.798 26 S HN 0.501 8.811 8.310 -0.000 0.000 0.488 27 L N 2.353 123.523 121.223 -0.088 0.000 2.012 27 L HA -0.086 4.287 4.340 0.056 0.000 0.210 27 L C 2.207 179.043 176.870 -0.056 0.000 1.073 27 L CA 1.759 56.543 54.840 -0.094 0.000 0.748 27 L CB -0.422 41.570 42.059 -0.113 0.000 0.891 27 L HN 0.118 8.348 8.230 -0.000 0.000 0.431 28 R N -0.918 119.556 120.500 -0.043 0.000 2.081 28 R HA -0.166 4.208 4.340 0.056 0.000 0.235 28 R C 2.509 178.808 176.300 -0.002 0.000 1.131 28 R CA 1.694 57.778 56.100 -0.026 0.000 0.960 28 R CB -0.415 29.870 30.300 -0.025 0.000 0.856 28 R HN 0.381 8.651 8.270 -0.000 0.000 0.436 29 R N 0.577 121.079 120.500 0.004 0.000 2.066 29 R HA -0.116 4.258 4.340 0.056 0.000 0.232 29 R C 2.260 178.607 176.300 0.078 0.000 1.131 29 R CA 1.076 57.199 56.100 0.038 0.000 0.955 29 R CB -0.265 30.050 30.300 0.025 0.000 0.851 29 R HN 0.090 8.360 8.270 -0.000 0.000 0.432 30 L N 0.568 121.809 121.223 0.029 0.000 2.083 30 L HA -0.120 4.254 4.340 0.056 0.000 0.209 30 L C 1.930 178.854 176.870 0.091 0.000 1.083 30 L CA 1.506 56.369 54.840 0.039 0.000 0.752 30 L CB -0.314 41.713 42.059 -0.052 0.000 0.899 30 L HN -0.030 8.200 8.230 -0.000 0.000 0.433 31 V N -0.543 119.396 119.914 0.041 0.000 2.295 31 V HA -0.261 3.893 4.120 0.056 0.000 0.246 31 V C 2.670 178.800 176.094 0.060 0.000 1.049 31 V CA 1.626 63.948 62.300 0.036 0.000 1.024 31 V CB -0.663 31.158 31.823 -0.004 0.000 0.648 31 V HN 0.488 8.678 8.190 -0.000 0.000 0.447 32 Q N -0.957 118.879 119.800 0.061 0.000 2.124 32 Q HA -0.168 4.205 4.340 0.056 0.000 0.202 32 Q C 2.055 178.104 176.000 0.081 0.000 0.977 32 Q CA 1.704 57.538 55.803 0.051 0.000 0.850 32 Q CB -0.651 28.108 28.738 0.036 0.000 0.901 32 Q HN 0.678 8.948 8.270 -0.000 0.000 0.429 33 F N 2.110 122.065 119.950 0.008 0.000 2.126 33 F HA -0.226 4.335 4.527 0.056 0.000 0.299 33 F C 1.846 177.674 175.800 0.047 0.000 1.096 33 F CA 1.312 59.328 58.000 0.028 0.000 1.255 33 F CB -0.062 38.958 39.000 0.033 0.000 0.997 33 F HN 0.136 8.436 8.300 -0.000 0.000 0.479 34 N N 0.651 119.519 118.700 0.280 0.000 2.244 34 N HA -0.152 4.622 4.740 0.056 0.000 0.183 34 N C 1.981 177.531 175.510 0.067 0.000 1.016 34 N CA 1.674 54.836 53.050 0.186 0.000 0.866 34 N CB -0.191 38.387 38.487 0.152 0.000 0.980 34 N HN 0.383 8.763 8.380 -0.000 0.000 0.430 35 I N 1.306 121.894 120.570 0.029 0.000 2.286 35 I HA -0.217 3.986 4.170 0.056 0.000 0.245 35 I C 2.077 178.173 176.117 -0.036 0.000 1.104 35 I CA 1.025 62.325 61.300 -0.000 0.000 1.397 35 I CB -0.106 37.890 38.000 -0.007 0.000 1.072 35 I HN 0.064 8.274 8.210 -0.000 0.000 0.417 36 Q N 0.405 120.151 119.800 -0.090 0.000 2.311 36 Q HA -0.186 4.187 4.340 0.056 0.000 0.203 36 Q C 2.015 177.912 176.000 -0.172 0.000 0.954 36 Q CA 0.785 56.502 55.803 -0.143 0.000 0.885 36 Q CB 0.012 28.631 28.738 -0.198 0.000 0.963 36 Q HN 0.630 8.900 8.270 -0.000 0.000 0.471 37 Q N -0.631 119.069 119.800 -0.166 0.000 2.436 37 Q HA 0.052 4.425 4.340 0.056 0.000 0.209 37 Q C 0.788 176.817 176.000 0.048 0.000 0.965 37 Q CA 0.748 56.531 55.803 -0.034 0.000 0.910 37 Q CB 0.124 28.947 28.738 0.142 0.000 0.980 37 Q HN 0.236 8.506 8.270 -0.000 0.000 0.491 38 G N 1.126 109.937 108.800 0.019 0.000 2.203 38 G HA2 -0.248 3.746 3.960 0.056 0.000 0.231 38 G HA3 -0.248 3.746 3.960 0.056 0.000 0.231 38 G C -0.250 174.685 174.900 0.058 0.000 1.058 38 G CA -0.056 45.064 45.100 0.033 0.000 0.781 38 G HN 0.359 8.649 8.290 -0.000 0.000 0.496 39 I N 0.363 120.972 120.570 0.065 0.000 2.696 39 I HA 0.284 4.487 4.170 0.056 0.000 0.284 39 I C 1.247 177.402 176.117 0.064 0.000 1.129 39 I CA -0.138 61.207 61.300 0.075 0.000 1.410 39 I CB 0.634 38.689 38.000 0.093 0.000 1.399 39 I HN 0.175 8.385 8.210 -0.000 0.000 0.579 40 D N 4.560 125.005 120.400 0.076 0.000 2.323 40 D HA 0.174 4.848 4.640 0.056 0.000 0.209 40 D C 0.503 176.847 176.300 0.074 0.000 0.973 40 D CA 0.892 54.938 54.000 0.077 0.000 0.874 40 D CB 0.383 41.244 40.800 0.102 0.000 0.930 40 D HN 0.679 9.049 8.370 -0.000 0.000 0.521 41 G N -0.368 108.476 108.800 0.074 0.000 2.328 41 G HA2 0.426 4.420 3.960 0.056 0.000 0.295 41 G HA3 0.426 4.420 3.960 0.056 0.000 0.295 41 G C -1.971 172.965 174.900 0.060 0.000 1.413 41 G CA -0.842 44.295 45.100 0.061 0.000 0.817 41 G HN 0.022 8.312 8.290 -0.000 0.000 0.546 42 L N -0.142 121.111 121.223 0.050 0.000 2.370 42 L HA 0.574 4.947 4.340 0.056 0.000 0.266 42 L C -1.351 175.573 176.870 0.090 0.000 1.002 42 L CA -1.053 53.818 54.840 0.052 0.000 0.818 42 L CB 2.650 44.727 42.059 0.029 0.000 1.325 42 L HN 0.651 8.881 8.230 -0.000 0.000 0.418 43 Y N 2.641 122.889 120.300 -0.087 0.000 2.402 43 Y HA 0.567 5.150 4.550 0.055 0.000 0.332 43 Y C -0.784 175.060 175.900 -0.092 0.000 0.960 43 Y CA -0.632 57.399 58.100 -0.115 0.000 1.228 43 Y CB 1.223 39.527 38.460 -0.260 0.000 1.120 43 Y HN 0.199 8.479 8.280 -0.000 0.000 0.491 44 V N 5.280 125.040 119.914 -0.256 0.000 2.483 44 V HA 0.519 4.673 4.120 0.056 0.000 0.295 44 V C 0.745 176.700 176.094 -0.232 0.000 1.035 44 V CA -0.280 61.930 62.300 -0.150 0.000 0.896 44 V CB 1.217 33.056 31.823 0.027 0.000 0.986 44 V HN 1.023 9.213 8.190 -0.000 0.000 0.447 45 G N 3.415 112.112 108.800 -0.172 0.000 2.249 45 G HA2 -0.156 3.838 3.960 0.056 0.000 0.273 45 G HA3 -0.156 3.838 3.960 0.056 0.000 0.273 45 G C 0.542 175.372 174.900 -0.117 0.000 1.036 45 G CA 0.314 45.324 45.100 -0.151 0.000 0.824 45 G HN 1.326 9.616 8.290 -0.000 0.000 0.504 46 G N -0.697 108.000 108.800 -0.172 0.000 2.494 46 G HA2 0.524 4.518 3.960 0.056 0.000 0.270 46 G HA3 0.524 4.518 3.960 0.056 0.000 0.270 46 G C 1.361 176.118 174.900 -0.238 0.000 1.423 46 G CA 0.834 45.818 45.100 -0.194 0.000 1.055 46 G HN 0.622 8.912 8.290 -0.000 0.000 0.536 47 S N -0.754 114.907 115.700 -0.064 0.000 2.365 47 S HA -0.179 4.324 4.470 0.056 0.000 0.225 47 S C 2.529 177.010 174.600 -0.198 0.000 1.039 47 S CA 2.096 60.333 58.200 0.063 0.000 1.033 47 S CB -0.574 62.812 63.200 0.308 0.000 0.887 47 S HN 0.614 8.924 8.310 -0.000 0.000 0.447 48 T N 1.256 115.583 114.554 -0.377 0.000 2.833 48 T HA -0.022 4.361 4.350 0.056 0.000 0.269 48 T C 1.854 176.083 174.700 -0.785 0.000 1.054 48 T CA 1.195 62.732 62.100 -0.939 0.000 1.135 48 T CB -0.575 67.973 68.868 -0.534 0.000 0.869 48 T HN 0.557 8.797 8.240 -0.000 0.000 0.466 49 G N 0.575 109.119 108.800 -0.428 0.000 2.776 49 G HA2 0.016 4.010 3.960 0.056 0.000 0.209 49 G HA3 0.016 4.010 3.960 0.056 0.000 0.209 49 G C 0.211 174.967 174.900 -0.240 0.000 1.145 49 G CA 0.042 44.953 45.100 -0.316 0.000 0.791 49 G HN 0.617 8.907 8.290 -0.000 0.000 0.530 50 E N -1.573 118.483 120.200 -0.240 0.000 2.416 50 E HA -0.290 4.094 4.350 0.056 0.000 0.249 50 E C 1.699 178.267 176.600 -0.054 0.000 1.124 50 E CA 0.013 56.398 56.400 -0.024 0.000 0.732 50 E CB -1.538 28.257 29.700 0.159 0.000 1.286 50 E HN 0.505 8.865 8.360 -0.000 0.000 0.394 51 A N 0.013 122.643 122.820 -0.317 0.000 1.903 51 A HA -0.196 4.158 4.320 0.056 0.000 0.219 51 A C 1.472 178.893 177.584 -0.273 0.000 1.191 51 A CA 1.913 53.684 52.037 -0.445 0.000 0.638 51 A CB -0.457 17.991 19.000 -0.921 0.000 0.823 51 A HN 0.333 8.483 8.150 -0.000 0.000 0.451 52 F N -0.713 119.363 119.950 0.210 0.000 2.797 52 F HA 0.157 4.718 4.527 0.056 0.000 0.302 52 F C 1.537 177.438 175.800 0.168 0.000 1.130 52 F CA 0.496 58.628 58.000 0.220 0.000 1.387 52 F CB -0.132 39.026 39.000 0.263 0.000 1.107 52 F HN 0.142 8.442 8.300 -0.000 0.000 0.577 53 V N -2.748 117.306 119.914 0.234 0.000 3.121 53 V HA 0.357 4.510 4.120 0.056 0.000 0.344 53 V C -0.017 176.138 176.094 0.103 0.000 1.390 53 V CA -0.260 62.133 62.300 0.155 0.000 1.177 53 V CB -0.788 31.120 31.823 0.141 0.000 1.163 53 V HN 0.149 8.339 8.190 -0.000 0.000 0.484 54 Q N 1.275 121.143 119.800 0.114 0.000 2.348 54 Q HA 0.644 5.017 4.340 0.056 0.000 0.271 54 Q C 0.136 176.185 176.000 0.082 0.000 1.067 54 Q CA -0.308 55.554 55.803 0.098 0.000 0.839 54 Q CB 2.365 31.167 28.738 0.107 0.000 1.354 54 Q HN 0.622 8.892 8.270 -0.000 0.000 0.447 55 S N 0.659 116.398 115.700 0.065 0.000 2.600 55 S HA 0.206 4.709 4.470 0.056 0.000 0.265 55 S C 1.146 175.772 174.600 0.043 0.000 1.325 55 S CA -0.553 57.677 58.200 0.051 0.000 1.002 55 S CB 0.411 63.635 63.200 0.040 0.000 0.921 55 S HN 0.672 8.982 8.310 -0.000 0.000 0.554 56 L N 1.183 122.426 121.223 0.033 0.000 2.042 56 L HA -0.114 4.259 4.340 0.056 0.000 0.210 56 L C 3.103 179.985 176.870 0.021 0.000 1.076 56 L CA 1.710 56.562 54.840 0.020 0.000 0.749 56 L CB -1.083 40.982 42.059 0.010 0.000 0.893 56 L HN 0.925 9.155 8.230 -0.000 0.000 0.432 57 S N -0.162 115.554 115.700 0.026 0.000 2.359 57 S HA -0.237 4.266 4.470 0.056 0.000 0.224 57 S C 1.836 176.454 174.600 0.029 0.000 1.035 57 S CA 1.798 60.016 58.200 0.030 0.000 1.018 57 S CB -0.118 63.098 63.200 0.027 0.000 0.876 57 S HN 0.458 8.768 8.310 -0.000 0.000 0.448 58 E N 0.323 120.543 120.200 0.033 0.000 2.051 58 E HA -0.127 4.257 4.350 0.056 0.000 0.192 58 E C 2.529 179.139 176.600 0.017 0.000 0.991 58 E CA 1.105 57.527 56.400 0.037 0.000 0.799 58 E CB -0.151 29.592 29.700 0.071 0.000 0.748 58 E HN 0.471 8.831 8.360 -0.000 0.000 0.449 59 R N 0.935 121.443 120.500 0.013 0.000 2.083 59 R HA -0.164 4.210 4.340 0.056 0.000 0.237 59 R C 2.284 178.575 176.300 -0.015 0.000 1.137 59 R CA 1.485 57.575 56.100 -0.016 0.000 0.951 59 R CB -0.227 30.057 30.300 -0.026 0.000 0.851 59 R HN 0.241 8.511 8.270 -0.000 0.000 0.434 60 E N 0.740 120.954 120.200 0.022 0.000 2.070 60 E HA -0.267 4.116 4.350 0.056 0.000 0.197 60 E C 2.142 178.742 176.600 0.000 0.000 1.004 60 E CA 1.415 57.871 56.400 0.093 0.000 0.805 60 E CB -0.063 29.720 29.700 0.139 0.000 0.744 60 E HN 0.421 8.781 8.360 -0.000 0.000 0.451 61 Q N 0.179 119.961 119.800 -0.029 0.000 2.135 61 Q HA -0.154 4.220 4.340 0.056 0.000 0.204 61 Q C 2.319 178.249 176.000 -0.116 0.000 0.981 61 Q CA 1.334 57.087 55.803 -0.083 0.000 0.856 61 Q CB 0.005 28.718 28.738 -0.041 0.000 0.902 61 Q HN 0.154 8.424 8.270 -0.000 0.000 0.425 62 V N 0.932 120.796 119.914 -0.084 0.000 2.270 62 V HA -0.249 3.904 4.120 0.056 0.000 0.245 62 V C 2.190 178.247 176.094 -0.062 0.000 1.043 62 V CA 1.502 63.752 62.300 -0.083 0.000 1.014 62 V CB -0.612 31.160 31.823 -0.085 0.000 0.645 62 V HN 0.343 8.533 8.190 -0.000 0.000 0.447 63 L N 0.070 121.268 121.223 -0.041 0.000 2.021 63 L HA -0.293 4.081 4.340 0.056 0.000 0.215 63 L C 2.615 179.479 176.870 -0.009 0.000 1.074 63 L CA 2.413 57.303 54.840 0.082 0.000 0.760 63 L CB -0.732 41.346 42.059 0.031 0.000 0.889 63 L HN 0.466 8.696 8.230 -0.000 0.000 0.433 64 E N 0.755 120.657 120.200 -0.497 0.000 2.051 64 E HA -0.231 4.153 4.350 0.056 0.000 0.192 64 E C 2.302 178.721 176.600 -0.301 0.000 0.991 64 E CA 1.334 57.254 56.400 -0.801 0.000 0.799 64 E CB -0.057 29.081 29.700 -0.936 0.000 0.748 64 E HN 0.459 8.819 8.360 -0.000 0.000 0.449 65 I N 0.451 120.904 120.570 -0.196 0.000 2.179 65 I HA -0.255 3.949 4.170 0.056 0.000 0.242 65 I C 2.390 178.456 176.117 -0.085 0.000 1.088 65 I CA 0.725 61.955 61.300 -0.118 0.000 1.357 65 I CB -0.173 37.770 38.000 -0.095 0.000 1.051 65 I HN 0.073 8.283 8.210 -0.000 0.000 0.409 66 V N 1.174 121.056 119.914 -0.054 0.000 2.324 66 V HA -0.339 3.814 4.120 0.056 0.000 0.250 66 V C 2.680 178.702 176.094 -0.119 0.000 1.060 66 V CA 2.111 64.383 62.300 -0.046 0.000 1.042 66 V CB -1.182 30.659 31.823 0.030 0.000 0.650 66 V HN 0.523 8.713 8.190 -0.000 0.000 0.450 67 A N -0.656 122.082 122.820 -0.137 0.000 1.930 67 A HA -0.199 4.155 4.320 0.056 0.000 0.217 67 A C 2.189 179.697 177.584 -0.127 0.000 1.175 67 A CA 1.620 53.524 52.037 -0.222 0.000 0.627 67 A CB -0.414 18.503 19.000 -0.138 0.000 0.815 67 A HN 0.607 8.757 8.150 -0.000 0.000 0.443 68 E N -0.304 119.840 120.200 -0.093 0.000 2.051 68 E HA -0.180 4.204 4.350 0.056 0.000 0.192 68 E C 1.907 178.469 176.600 -0.063 0.000 0.991 68 E CA 1.275 57.635 56.400 -0.068 0.000 0.799 68 E CB -0.076 29.585 29.700 -0.065 0.000 0.748 68 E HN 0.509 8.869 8.360 -0.000 0.000 0.449 69 E N -0.670 119.490 120.200 -0.067 0.000 2.208 69 E HA -0.072 4.312 4.350 0.056 0.000 0.193 69 E C 1.245 177.811 176.600 -0.056 0.000 0.988 69 E CA 0.938 57.307 56.400 -0.052 0.000 0.828 69 E CB 0.447 30.120 29.700 -0.044 0.000 0.763 69 E HN 0.230 8.590 8.360 -0.000 0.000 0.478 70 A N 0.322 123.093 122.820 -0.081 0.000 2.474 70 A HA 0.095 4.448 4.320 0.056 0.000 0.221 70 A C 0.930 178.451 177.584 -0.106 0.000 1.298 70 A CA -0.348 51.639 52.037 -0.084 0.000 1.008 70 A CB 0.304 19.250 19.000 -0.090 0.000 1.217 70 A HN -0.026 8.124 8.150 -0.000 0.000 0.553 71 K N 0.518 120.841 120.400 -0.129 0.000 2.489 71 K HA 0.299 4.652 4.320 0.056 0.000 0.278 71 K C 1.231 177.783 176.600 -0.079 0.000 1.000 71 K CA 1.116 57.322 56.287 -0.134 0.000 1.012 71 K CB -0.039 32.385 32.500 -0.127 0.000 0.903 71 K HN 0.932 9.182 8.250 -0.000 0.000 0.485 72 G N 3.434 112.193 108.800 -0.068 0.000 2.189 72 G HA2 -0.329 3.665 3.960 0.056 0.000 0.267 72 G HA3 -0.329 3.665 3.960 0.056 0.000 0.267 72 G C 0.691 175.572 174.900 -0.032 0.000 0.975 72 G CA 0.888 45.964 45.100 -0.040 0.000 0.644 72 G HN 0.747 9.037 8.290 -0.000 0.000 0.537 73 K N -0.345 120.031 120.400 -0.039 0.000 2.244 73 K HA 0.454 4.807 4.320 0.056 0.000 0.200 73 K C 1.389 177.978 176.600 -0.018 0.000 1.052 73 K CA 1.261 57.532 56.287 -0.027 0.000 0.980 73 K CB 0.378 32.860 32.500 -0.031 0.000 0.838 73 K HN 0.752 9.002 8.250 -0.000 0.000 0.481 74 I N -2.707 117.847 120.570 -0.025 0.000 3.352 74 I HA 0.415 4.618 4.170 0.056 0.000 0.316 74 I C -1.399 174.710 176.117 -0.015 0.000 1.214 74 I CA -1.462 59.834 61.300 -0.008 0.000 0.934 74 I CB 1.452 39.453 38.000 0.002 0.000 1.310 74 I HN -0.376 7.834 8.210 -0.000 0.000 0.475 75 K N 2.092 122.501 120.400 0.015 0.000 2.237 75 K HA 0.640 4.993 4.320 0.056 0.000 0.270 75 K C -0.964 175.641 176.600 0.008 0.000 1.015 75 K CA -0.243 56.059 56.287 0.025 0.000 0.949 75 K CB 0.973 33.519 32.500 0.076 0.000 0.976 75 K HN 0.539 8.789 8.250 -0.000 0.000 0.472 76 L N 3.958 125.178 121.223 -0.006 0.000 2.404 76 L HA 0.496 4.869 4.340 0.056 0.000 0.272 76 L C -0.395 176.608 176.870 0.220 0.000 0.980 76 L CA -0.495 54.335 54.840 -0.016 0.000 0.836 76 L CB 1.288 43.085 42.059 -0.437 0.000 1.238 76 L HN 0.394 8.624 8.230 -0.000 0.000 0.408 77 I N 2.715 123.438 120.570 0.255 0.000 2.404 77 I HA 0.594 4.798 4.170 0.056 0.000 0.293 77 I C 0.189 176.336 176.117 0.049 0.000 0.992 77 I CA -0.498 60.920 61.300 0.197 0.000 1.149 77 I CB 2.051 40.132 38.000 0.136 0.000 1.315 77 I HN 0.624 8.834 8.210 -0.000 0.000 0.446 78 A N 4.556 127.301 122.820 -0.126 0.000 2.249 78 A HA 0.360 4.714 4.320 0.056 0.000 0.314 78 A C -0.634 176.705 177.584 -0.407 0.000 1.290 78 A CA -0.397 51.352 52.037 -0.481 0.000 0.893 78 A CB -0.091 18.326 19.000 -0.972 0.000 1.165 78 A HN 0.779 8.929 8.150 -0.000 0.000 0.530 79 H N 2.664 121.393 119.070 -0.568 0.000 3.015 79 H HA 0.321 4.910 4.556 0.055 0.000 0.268 79 H C 0.745 175.944 175.328 -0.216 0.000 1.113 79 H CA 0.612 56.416 56.048 -0.408 0.000 1.479 79 H CB 0.930 30.417 29.762 -0.459 0.000 1.493 79 H HN 0.498 8.778 8.280 -0.000 0.000 0.486 80 V N 2.464 122.001 119.914 -0.628 0.000 3.578 80 V HA 0.468 4.622 4.120 0.056 0.000 0.290 80 V C 1.090 176.940 176.094 -0.406 0.000 1.376 80 V CA 0.168 62.210 62.300 -0.431 0.000 1.083 80 V CB -0.148 31.504 31.823 -0.285 0.000 0.911 80 V HN 0.751 8.941 8.190 -0.000 0.000 0.433 81 G N -0.212 108.162 108.800 -0.710 0.000 2.398 81 G HA2 0.429 4.423 3.960 0.056 0.000 0.246 81 G HA3 0.429 4.423 3.960 0.056 0.000 0.246 81 G C -0.382 174.660 174.900 0.236 0.000 1.289 81 G CA 0.351 45.388 45.100 -0.104 0.000 0.869 81 G HN 0.528 8.818 8.290 -0.000 0.000 0.543 82 C N 0.801 120.236 119.300 0.225 0.000 3.213 82 C HA 0.373 4.867 4.460 0.056 0.000 0.319 82 C C 1.740 176.760 174.990 0.049 0.000 1.386 82 C CA -0.543 58.605 59.018 0.216 0.000 1.494 82 C CB 1.492 29.298 27.740 0.110 0.000 1.905 82 C HN 0.556 8.786 8.230 -0.000 0.000 0.456 83 V N 1.279 121.098 119.914 -0.158 0.000 2.295 83 V HA -0.103 4.051 4.120 0.056 0.000 0.246 83 V C 1.446 177.470 176.094 -0.116 0.000 1.049 83 V CA 2.167 64.303 62.300 -0.273 0.000 1.024 83 V CB -0.429 31.190 31.823 -0.340 0.000 0.648 83 V HN 0.911 9.101 8.190 -0.000 0.000 0.447 84 S N -0.214 115.467 115.700 -0.031 0.000 2.549 84 S HA -0.024 4.479 4.470 0.056 0.000 0.286 84 S C 1.394 176.023 174.600 0.048 0.000 1.314 84 S CA 0.368 58.564 58.200 -0.008 0.000 1.062 84 S CB 1.138 64.335 63.200 -0.005 0.000 0.865 84 S HN 0.519 8.829 8.310 -0.000 0.000 0.498 85 T N 5.421 119.993 114.554 0.031 0.000 2.737 85 T HA -0.060 4.324 4.350 0.056 0.000 0.265 85 T C 2.170 176.802 174.700 -0.113 0.000 1.038 85 T CA 1.455 63.522 62.100 -0.055 0.000 1.144 85 T CB -0.715 68.116 68.868 -0.061 0.000 0.866 85 T HN 0.816 9.056 8.240 -0.000 0.000 0.434 86 A N 1.738 124.513 122.820 -0.075 0.000 1.908 86 A HA -0.174 4.179 4.320 0.056 0.000 0.218 86 A C 2.216 179.759 177.584 -0.067 0.000 1.181 86 A CA 1.712 53.706 52.037 -0.071 0.000 0.627 86 A CB -0.563 18.406 19.000 -0.051 0.000 0.818 86 A HN 0.596 8.746 8.150 -0.000 0.000 0.445 87 E N -0.203 119.969 120.200 -0.048 0.000 2.072 87 E HA -0.099 4.284 4.350 0.056 0.000 0.191 87 E C 2.278 178.841 176.600 -0.062 0.000 0.985 87 E CA 1.231 57.608 56.400 -0.038 0.000 0.801 87 E CB -0.161 29.535 29.700 -0.007 0.000 0.750 87 E HN 0.585 8.945 8.360 -0.000 0.000 0.452 88 S N 1.135 116.786 115.700 -0.082 0.000 2.382 88 S HA -0.183 4.320 4.470 0.056 0.000 0.228 88 S C 1.931 176.431 174.600 -0.167 0.000 1.027 88 S CA 0.949 59.068 58.200 -0.136 0.000 0.991 88 S CB -0.146 62.934 63.200 -0.201 0.000 0.823 88 S HN 0.263 8.573 8.310 -0.000 0.000 0.469 89 Q N 0.909 120.613 119.800 -0.161 0.000 2.050 89 Q HA -0.204 4.169 4.340 0.056 0.000 0.202 89 Q C 2.433 178.362 176.000 -0.119 0.000 0.980 89 Q CA 1.383 57.101 55.803 -0.142 0.000 0.840 89 Q CB -0.238 28.424 28.738 -0.127 0.000 0.898 89 Q HN 0.599 8.869 8.270 -0.000 0.000 0.424 90 Q N 0.680 120.420 119.800 -0.100 0.000 2.077 90 Q HA -0.212 4.162 4.340 0.056 0.000 0.206 90 Q C 2.066 178.001 176.000 -0.108 0.000 0.989 90 Q CA 1.329 57.079 55.803 -0.089 0.000 0.853 90 Q CB -0.090 28.610 28.738 -0.063 0.000 0.907 90 Q HN 0.394 8.664 8.270 -0.000 0.000 0.418 91 L N -0.059 121.095 121.223 -0.115 0.000 2.056 91 L HA -0.142 4.232 4.340 0.056 0.000 0.207 91 L C 2.616 179.378 176.870 -0.181 0.000 1.078 91 L CA 0.805 55.563 54.840 -0.137 0.000 0.749 91 L CB -0.663 41.311 42.059 -0.141 0.000 0.901 91 L HN 0.321 8.551 8.230 -0.000 0.000 0.433 92 A N 0.356 123.072 122.820 -0.173 0.000 1.873 92 A HA -0.267 4.087 4.320 0.056 0.000 0.218 92 A C 2.541 180.029 177.584 -0.161 0.000 1.193 92 A CA 2.114 54.052 52.037 -0.166 0.000 0.629 92 A CB -0.847 18.069 19.000 -0.141 0.000 0.826 92 A HN 0.416 8.566 8.150 -0.000 0.000 0.447 93 A N -0.716 122.014 122.820 -0.150 0.000 1.883 93 A HA -0.094 4.259 4.320 0.056 0.000 0.217 93 A C 2.459 179.909 177.584 -0.224 0.000 1.186 93 A CA 2.205 54.152 52.037 -0.151 0.000 0.624 93 A CB -1.009 17.917 19.000 -0.124 0.000 0.822 93 A HN 0.483 8.633 8.150 -0.000 0.000 0.444 94 S N -0.030 115.509 115.700 -0.267 0.000 2.359 94 S HA -0.134 4.369 4.470 0.056 0.000 0.224 94 S C 2.346 176.589 174.600 -0.594 0.000 1.035 94 S CA 1.406 59.320 58.200 -0.476 0.000 1.018 94 S CB -0.649 62.390 63.200 -0.269 0.000 0.876 94 S HN 0.855 9.165 8.310 -0.000 0.000 0.448 95 A N 1.883 124.506 122.820 -0.330 0.000 1.884 95 A HA -0.272 4.082 4.320 0.056 0.000 0.219 95 A C 2.019 179.566 177.584 -0.062 0.000 1.197 95 A CA 2.396 54.268 52.037 -0.274 0.000 0.637 95 A CB -0.733 18.041 19.000 -0.375 0.000 0.827 95 A HN 0.446 8.596 8.150 -0.000 0.000 0.450 96 K N -0.146 120.190 120.400 -0.105 0.000 2.032 96 K HA -0.137 4.216 4.320 0.056 0.000 0.209 96 K C 2.165 178.725 176.600 -0.066 0.000 1.048 96 K CA 1.809 58.070 56.287 -0.044 0.000 0.927 96 K CB -0.325 32.136 32.500 -0.064 0.000 0.712 96 K HN 0.464 8.714 8.250 -0.000 0.000 0.441 97 R N -0.821 119.553 120.500 -0.210 0.000 2.103 97 R HA -0.169 4.204 4.340 0.056 0.000 0.242 97 R C 1.934 178.178 176.300 -0.093 0.000 1.142 97 R CA 1.882 57.844 56.100 -0.230 0.000 0.960 97 R CB -0.516 29.535 30.300 -0.414 0.000 0.858 97 R HN 0.348 8.618 8.270 -0.000 0.000 0.439 98 Y N -0.523 119.842 120.300 0.109 0.000 2.529 98 Y HA 0.212 4.795 4.550 0.055 0.000 0.290 98 Y C 1.464 177.448 175.900 0.139 0.000 1.177 98 Y CA 0.280 58.469 58.100 0.149 0.000 1.305 98 Y CB -0.259 38.347 38.460 0.242 0.000 1.047 98 Y HN 0.292 8.572 8.280 -0.000 0.000 0.522 99 G N -0.449 108.493 108.800 0.237 0.000 2.204 99 G HA2 -0.278 3.715 3.960 0.056 0.000 0.244 99 G HA3 -0.278 3.715 3.960 0.056 0.000 0.244 99 G C -0.170 174.781 174.900 0.085 0.000 1.062 99 G CA -0.567 44.607 45.100 0.123 0.000 0.798 99 G HN 0.161 8.451 8.290 -0.000 0.000 0.496 100 F N 0.409 120.383 119.950 0.040 0.000 2.444 100 F HA 0.337 4.897 4.527 0.056 0.000 0.331 100 F C 1.640 177.452 175.800 0.020 0.000 1.167 100 F CA 0.138 58.155 58.000 0.028 0.000 1.262 100 F CB 0.628 39.640 39.000 0.019 0.000 1.196 100 F HN 0.081 8.381 8.300 -0.000 0.000 0.583 101 D N 0.830 121.327 120.400 0.162 0.000 2.333 101 D HA 0.251 4.925 4.640 0.056 0.000 0.208 101 D C 0.094 176.477 176.300 0.138 0.000 0.984 101 D CA 0.652 54.720 54.000 0.113 0.000 0.873 101 D CB 0.418 41.262 40.800 0.073 0.000 0.935 101 D HN 0.377 8.747 8.370 -0.000 0.000 0.521 102 A N 0.391 123.323 122.820 0.186 0.000 2.605 102 A HA 0.497 4.850 4.320 0.056 0.000 0.294 102 A C -0.825 176.824 177.584 0.109 0.000 1.062 102 A CA -0.760 51.364 52.037 0.144 0.000 0.682 102 A CB 1.296 20.392 19.000 0.161 0.000 1.278 102 A HN -0.042 8.108 8.150 -0.000 0.000 0.410 103 V N -1.212 118.739 119.914 0.062 0.000 2.994 103 V HA 0.998 5.152 4.120 0.056 0.000 0.318 103 V C -0.009 176.127 176.094 0.069 0.000 1.085 103 V CA -0.284 62.013 62.300 -0.005 0.000 0.998 103 V CB 1.622 33.419 31.823 -0.043 0.000 1.063 103 V HN 1.634 9.824 8.190 -0.000 0.000 0.447 104 S N 0.817 116.549 115.700 0.054 0.000 2.541 104 S HA 0.888 5.392 4.470 0.056 0.000 0.271 104 S C -0.807 173.946 174.600 0.256 0.000 1.133 104 S CA 0.066 58.415 58.200 0.248 0.000 0.876 104 S CB 1.647 65.074 63.200 0.378 0.000 1.105 104 S HN 2.109 10.419 8.310 -0.000 0.000 0.470 105 A N 2.652 125.746 122.820 0.456 0.000 2.408 105 A HA 0.694 5.047 4.320 0.056 0.000 0.295 105 A C -0.417 177.602 177.584 0.724 0.000 1.040 105 A CA -0.555 51.742 52.037 0.433 0.000 0.707 105 A CB 1.346 20.393 19.000 0.078 0.000 1.235 105 A HN 1.037 9.187 8.150 -0.000 0.000 0.418 106 V N 2.722 123.177 119.914 0.901 0.000 2.872 106 V HA 0.342 4.496 4.120 0.056 0.000 0.307 106 V C 1.142 177.480 176.094 0.406 0.000 1.072 106 V CA 0.892 63.485 62.300 0.487 0.000 1.148 106 V CB 1.167 33.202 31.823 0.353 0.000 0.954 106 V HN 1.321 9.511 8.190 -0.000 0.000 0.490 107 T N 6.712 121.449 114.554 0.306 0.000 2.829 107 T HA 0.228 4.612 4.350 0.056 0.000 0.293 107 T C -2.267 172.622 174.700 0.315 0.000 0.970 107 T CA -1.059 61.223 62.100 0.304 0.000 1.168 107 T CB 0.650 69.585 68.868 0.111 0.000 0.911 107 T HN 0.711 8.951 8.240 -0.000 0.000 0.535 108 P HA 0.181 4.601 4.420 -0.000 0.000 0.266 108 P C -0.479 177.028 177.300 0.345 0.000 1.195 108 P CA -0.257 62.875 63.100 0.053 0.000 0.768 108 P CB 0.228 31.619 31.700 -0.515 0.000 0.838 109 F N 1.027 121.096 119.950 0.199 0.000 2.746 109 F HA 0.549 5.110 4.527 0.056 0.000 0.378 109 F C 1.430 177.318 175.800 0.147 0.000 1.165 109 F CA -1.321 56.758 58.000 0.131 0.000 1.089 109 F CB -0.143 38.844 39.000 -0.022 0.000 1.439 109 F HN 0.449 8.749 8.300 -0.000 0.000 0.516 110 Y N -1.066 119.289 120.300 0.092 0.000 2.750 110 Y HA -0.382 4.201 4.550 0.056 0.000 0.477 110 Y C -0.547 175.167 175.900 -0.311 0.000 1.138 110 Y CA 1.607 59.604 58.100 -0.171 0.000 2.829 110 Y CB -1.665 36.570 38.460 -0.376 0.000 1.073 110 Y HN 0.557 8.837 8.280 -0.000 0.000 0.590 111 Y N 3.999 124.232 120.300 -0.112 0.000 2.319 111 Y HA 0.399 4.983 4.550 0.056 0.000 0.328 111 Y C -1.966 173.465 175.900 -0.782 0.000 1.133 111 Y CA -2.445 55.365 58.100 -0.482 0.000 1.265 111 Y CB -0.066 38.020 38.460 -0.623 0.000 1.218 111 Y HN -0.025 8.255 8.280 -0.000 0.000 0.508 112 P HA 0.114 4.534 4.420 -0.000 0.000 0.271 112 P C -1.139 175.831 177.300 -0.550 0.000 1.226 112 P CA 0.177 63.082 63.100 -0.325 0.000 0.765 112 P CB 0.256 31.867 31.700 -0.149 0.000 0.835 113 F N 0.266 120.216 119.950 -0.000 0.000 2.522 113 F HA 0.415 4.975 4.527 0.056 0.000 0.324 113 F C 1.144 176.930 175.800 -0.023 0.000 1.077 113 F CA -0.725 57.192 58.000 -0.139 0.000 0.944 113 F CB 1.171 39.878 39.000 -0.488 0.000 1.175 113 F HN 0.180 8.480 8.300 -0.000 0.000 0.468 114 S N 1.589 117.398 115.700 0.180 0.000 2.603 114 S HA 0.148 4.652 4.470 0.056 0.000 0.268 114 S C 0.867 175.647 174.600 0.300 0.000 1.317 114 S CA -0.444 57.882 58.200 0.210 0.000 1.012 114 S CB 0.388 63.673 63.200 0.143 0.000 0.926 114 S HN 0.604 8.914 8.310 -0.000 0.000 0.539 115 F N 2.242 122.324 119.950 0.219 0.000 2.126 115 F HA -0.005 4.555 4.527 0.055 0.000 0.299 115 F C 2.685 178.603 175.800 0.197 0.000 1.096 115 F CA 2.359 60.509 58.000 0.249 0.000 1.255 115 F CB -1.236 37.857 39.000 0.155 0.000 0.997 115 F HN 0.874 9.174 8.300 -0.000 0.000 0.479 116 E N 0.515 120.720 120.200 0.008 0.000 2.085 116 E HA -0.272 4.112 4.350 0.056 0.000 0.194 116 E C 1.936 178.477 176.600 -0.098 0.000 0.994 116 E CA 1.803 58.148 56.400 -0.091 0.000 0.801 116 E CB -1.109 28.600 29.700 0.016 0.000 0.743 116 E HN 0.728 9.088 8.360 -0.000 0.000 0.453 117 E N -0.636 119.535 120.200 -0.048 0.000 2.051 117 E HA -0.172 4.211 4.350 0.056 0.000 0.192 117 E C 2.179 178.685 176.600 -0.156 0.000 0.991 117 E CA 1.224 57.560 56.400 -0.106 0.000 0.799 117 E CB -0.324 29.323 29.700 -0.089 0.000 0.748 117 E HN 0.805 9.165 8.360 -0.000 0.000 0.449 118 H N -0.356 118.686 119.070 -0.047 0.000 2.353 118 H HA -0.173 4.417 4.556 0.057 0.000 0.298 118 H C 2.293 177.658 175.328 0.062 0.000 1.103 118 H CA 1.572 57.625 56.048 0.009 0.000 1.293 118 H CB -0.140 29.694 29.762 0.121 0.000 1.372 118 H HN 0.208 8.488 8.280 -0.000 0.000 0.501 119 C N 0.288 119.540 119.300 -0.080 0.000 2.453 119 C HA -0.119 4.375 4.460 0.056 0.000 0.277 119 C C 2.350 177.358 174.990 0.030 0.000 1.262 119 C CA 0.856 59.815 59.018 -0.099 0.000 1.718 119 C CB -0.425 27.108 27.740 -0.345 0.000 2.031 119 C HN 0.630 8.860 8.230 -0.000 0.000 0.480 120 D N -0.631 119.757 120.400 -0.020 0.000 2.182 120 D HA -0.144 4.530 4.640 0.056 0.000 0.201 120 D C 1.743 178.039 176.300 -0.007 0.000 0.986 120 D CA 1.426 55.416 54.000 -0.017 0.000 0.847 120 D CB -0.563 40.212 40.800 -0.042 0.000 0.942 120 D HN 0.662 9.032 8.370 -0.000 0.000 0.467 121 H N -0.677 118.321 119.070 -0.120 0.000 2.293 121 H HA -0.157 4.432 4.556 0.056 0.000 0.300 121 H C 1.738 176.946 175.328 -0.200 0.000 1.082 121 H CA 1.737 57.659 56.048 -0.211 0.000 1.308 121 H CB -0.306 29.269 29.762 -0.312 0.000 1.375 121 H HN 0.158 8.438 8.280 -0.000 0.000 0.495 122 Y N 0.366 120.674 120.300 0.012 0.000 2.181 122 Y HA -0.127 4.457 4.550 0.056 0.000 0.288 122 Y C 2.800 178.661 175.900 -0.064 0.000 1.146 122 Y CA 1.489 59.572 58.100 -0.028 0.000 1.164 122 Y CB -0.158 38.327 38.460 0.043 0.000 0.982 122 Y HN 0.128 8.408 8.280 -0.000 0.000 0.515 123 R N -0.282 120.268 120.500 0.083 0.000 2.081 123 R HA -0.175 4.199 4.340 0.056 0.000 0.235 123 R C 2.519 178.801 176.300 -0.031 0.000 1.131 123 R CA 1.202 57.317 56.100 0.024 0.000 0.960 123 R CB -0.636 29.670 30.300 0.009 0.000 0.856 123 R HN 0.337 8.607 8.270 -0.000 0.000 0.436 124 A N 1.190 123.962 122.820 -0.079 0.000 1.877 124 A HA -0.140 4.214 4.320 0.056 0.000 0.216 124 A C 2.159 179.657 177.584 -0.144 0.000 1.186 124 A CA 1.265 53.232 52.037 -0.116 0.000 0.620 124 A CB -0.478 18.432 19.000 -0.150 0.000 0.822 124 A HN 0.183 8.333 8.150 -0.000 0.000 0.443 125 I N -0.427 120.018 120.570 -0.209 0.000 2.226 125 I HA -0.244 3.959 4.170 0.056 0.000 0.245 125 I C 2.255 178.316 176.117 -0.092 0.000 1.100 125 I CA 1.181 62.366 61.300 -0.192 0.000 1.374 125 I CB -0.326 37.507 38.000 -0.277 0.000 1.057 125 I HN 0.285 8.495 8.210 -0.000 0.000 0.413 126 I N 0.779 121.326 120.570 -0.039 0.000 2.208 126 I HA -0.336 3.868 4.170 0.056 0.000 0.245 126 I C 2.235 178.339 176.117 -0.020 0.000 1.097 126 I CA 1.669 62.968 61.300 -0.003 0.000 1.363 126 I CB -0.374 37.645 38.000 0.032 0.000 1.051 126 I HN 0.284 8.494 8.210 -0.000 0.000 0.413 127 D N 0.350 120.730 120.400 -0.034 0.000 2.084 127 D HA -0.175 4.498 4.640 0.056 0.000 0.194 127 D C 2.237 178.509 176.300 -0.046 0.000 0.990 127 D CA 1.652 55.630 54.000 -0.036 0.000 0.826 127 D CB 0.052 40.828 40.800 -0.041 0.000 0.971 127 D HN 0.085 8.455 8.370 -0.000 0.000 0.453 128 S N -0.705 114.956 115.700 -0.065 0.000 2.423 128 S HA -0.029 4.475 4.470 0.056 0.000 0.231 128 S C 1.864 176.421 174.600 -0.072 0.000 1.014 128 S CA 0.824 58.979 58.200 -0.074 0.000 0.965 128 S CB -0.205 62.937 63.200 -0.096 0.000 0.785 128 S HN 0.451 8.761 8.310 -0.000 0.000 0.495 129 A N 0.840 123.622 122.820 -0.063 0.000 2.206 129 A HA 0.103 4.456 4.320 0.056 0.000 0.211 129 A C 0.823 178.389 177.584 -0.030 0.000 1.158 129 A CA 0.660 52.666 52.037 -0.052 0.000 0.761 129 A CB -0.351 18.627 19.000 -0.038 0.000 0.801 129 A HN 0.370 8.520 8.150 -0.000 0.000 0.473 130 D N -2.717 117.666 120.400 -0.028 0.000 2.686 130 D HA -0.146 4.528 4.640 0.056 0.000 0.235 130 D C 0.955 177.251 176.300 -0.008 0.000 1.160 130 D CA 1.970 55.958 54.000 -0.021 0.000 0.645 130 D CB -1.429 39.354 40.800 -0.029 0.000 1.039 130 D HN 1.234 9.604 8.370 -0.000 0.000 0.423 131 G N -1.801 106.999 108.800 0.001 0.000 2.284 131 G HA2 -0.227 3.767 3.960 0.056 0.000 0.201 131 G HA3 -0.227 3.767 3.960 0.056 0.000 0.201 131 G C 0.087 175.000 174.900 0.023 0.000 0.998 131 G CA -0.091 45.016 45.100 0.011 0.000 0.651 131 G HN 0.435 8.725 8.290 -0.000 0.000 0.489 132 L N 3.896 125.133 121.223 0.024 0.000 2.455 132 L HA 0.397 4.771 4.340 0.056 0.000 0.272 132 L C -1.133 175.766 176.870 0.048 0.000 1.174 132 L CA -1.399 53.467 54.840 0.043 0.000 0.869 132 L CB 0.139 42.224 42.059 0.043 0.000 1.130 132 L HN 0.103 8.333 8.230 -0.000 0.000 0.474 133 P HA 0.150 4.570 4.420 -0.000 0.000 0.274 133 P C -0.811 176.543 177.300 0.090 0.000 1.231 133 P CA -0.665 62.477 63.100 0.070 0.000 0.790 133 P CB 0.976 32.721 31.700 0.075 0.000 0.951 134 M N 3.159 122.817 119.600 0.096 0.000 2.300 134 M HA 0.308 4.822 4.480 0.056 0.000 0.348 134 M C -1.451 174.943 176.300 0.157 0.000 1.151 134 M CA -0.540 54.839 55.300 0.131 0.000 1.046 134 M CB 1.026 33.712 32.600 0.142 0.000 1.647 134 M HN 0.003 8.293 8.290 -0.000 0.000 0.451 135 V N 6.269 126.311 119.914 0.214 0.000 2.311 135 V HA 0.342 4.495 4.120 0.056 0.000 0.275 135 V C -0.396 175.876 176.094 0.297 0.000 1.022 135 V CA -0.889 61.565 62.300 0.256 0.000 0.830 135 V CB 0.965 32.982 31.823 0.324 0.000 1.012 135 V HN 0.739 8.929 8.190 -0.000 0.000 0.452 136 V N 5.721 125.757 119.914 0.203 0.000 2.585 136 V HA 0.060 4.214 4.120 0.056 0.000 0.296 136 V C -0.309 175.973 176.094 0.313 0.000 1.035 136 V CA 0.080 62.489 62.300 0.181 0.000 1.084 136 V CB 0.539 32.297 31.823 -0.108 0.000 0.953 136 V HN 0.729 8.919 8.190 -0.000 0.000 0.483 137 Y N 6.219 126.674 120.300 0.258 0.000 2.345 137 Y HA 0.382 4.968 4.550 0.060 0.000 0.331 137 Y C -0.047 175.951 175.900 0.164 0.000 0.959 137 Y CA -1.759 56.462 58.100 0.202 0.000 1.204 137 Y CB 1.084 39.711 38.460 0.279 0.000 1.135 137 Y HN 0.726 9.006 8.280 -0.000 0.000 0.477 138 N N 7.452 126.269 118.700 0.195 0.000 2.476 138 N HA 0.354 5.128 4.740 0.056 0.000 0.257 138 N C -1.417 174.053 175.510 -0.066 0.000 0.970 138 N CA -0.230 52.831 53.050 0.019 0.000 0.938 138 N CB 0.702 39.220 38.487 0.052 0.000 1.144 138 N HN 0.838 9.218 8.380 -0.000 0.000 0.500 139 I N 6.085 126.525 120.570 -0.216 0.000 2.871 139 I HA 0.345 4.549 4.170 0.056 0.000 0.284 139 I C -2.116 173.939 176.117 -0.103 0.000 1.390 139 I CA -2.281 58.902 61.300 -0.195 0.000 0.958 139 I CB 1.426 39.208 38.000 -0.364 0.000 1.618 139 I HN 0.431 8.641 8.210 -0.000 0.000 0.595 140 P HA -0.166 4.254 4.420 -0.000 0.000 0.217 140 P C 1.504 178.809 177.300 0.007 0.000 1.148 140 P CA 1.453 64.552 63.100 -0.003 0.000 0.828 140 P CB 0.197 31.913 31.700 0.027 0.000 0.783 141 A N -1.133 121.714 122.820 0.046 0.000 1.969 141 A HA -0.110 4.244 4.320 0.056 0.000 0.218 141 A C 2.119 179.707 177.584 0.006 0.000 1.169 141 A CA 1.332 53.401 52.037 0.054 0.000 0.635 141 A CB -1.233 17.849 19.000 0.137 0.000 0.810 141 A HN 0.156 8.306 8.150 -0.000 0.000 0.445 142 L N -0.800 120.401 121.223 -0.037 0.000 2.388 142 L HA -0.004 4.370 4.340 0.056 0.000 0.209 142 L C 2.749 179.515 176.870 -0.173 0.000 1.061 142 L CA 1.122 55.901 54.840 -0.103 0.000 0.834 142 L CB -0.311 41.675 42.059 -0.120 0.000 1.029 142 L HN 0.522 8.752 8.230 -0.000 0.000 0.473 143 S N -0.260 115.348 115.700 -0.154 0.000 2.436 143 S HA 0.019 4.522 4.470 0.056 0.000 0.228 143 S C 1.701 176.310 174.600 0.015 0.000 1.014 143 S CA 0.716 58.859 58.200 -0.095 0.000 0.950 143 S CB 0.072 63.241 63.200 -0.051 0.000 0.784 143 S HN 0.509 8.819 8.310 -0.000 0.000 0.504 144 G N 0.387 109.183 108.800 -0.007 0.000 2.168 144 G HA2 -0.237 3.756 3.960 0.056 0.000 0.263 144 G HA3 -0.237 3.756 3.960 0.056 0.000 0.263 144 G C 0.037 174.955 174.900 0.030 0.000 0.977 144 G CA 0.236 45.340 45.100 0.007 0.000 0.659 144 G HN 0.802 9.092 8.290 -0.000 0.000 0.533 145 V N 0.854 120.792 119.914 0.039 0.000 2.348 145 V HA 0.384 4.538 4.120 0.056 0.000 0.270 145 V C 0.474 176.576 176.094 0.013 0.000 1.037 145 V CA -0.255 62.073 62.300 0.047 0.000 0.872 145 V CB 1.339 33.182 31.823 0.034 0.000 1.002 145 V HN 0.330 8.520 8.190 -0.000 0.000 0.464 146 K N 6.250 126.662 120.400 0.019 0.000 2.291 146 K HA 0.480 4.834 4.320 0.056 0.000 0.242 146 K C -0.641 175.953 176.600 -0.011 0.000 1.098 146 K CA -0.227 56.063 56.287 0.005 0.000 1.036 146 K CB 0.656 33.160 32.500 0.008 0.000 1.655 146 K HN 0.543 8.793 8.250 -0.000 0.000 0.432 147 L N 2.241 123.448 121.223 -0.026 0.000 2.380 147 L HA 0.114 4.488 4.340 0.056 0.000 0.273 147 L C 1.153 177.976 176.870 -0.079 0.000 1.138 147 L CA -0.191 54.613 54.840 -0.060 0.000 0.832 147 L CB 0.672 42.705 42.059 -0.044 0.000 1.124 147 L HN 0.584 8.814 8.230 -0.000 0.000 0.454 148 T N -0.281 114.194 114.554 -0.132 0.000 2.849 148 T HA 0.146 4.530 4.350 0.056 0.000 0.284 148 T C 0.968 175.596 174.700 -0.119 0.000 1.004 148 T CA -0.796 61.232 62.100 -0.119 0.000 1.021 148 T CB 1.233 70.019 68.868 -0.136 0.000 1.013 148 T HN 0.476 8.716 8.240 -0.000 0.000 0.527 149 L N 0.771 121.936 121.223 -0.098 0.000 2.043 149 L HA -0.066 4.308 4.340 0.056 0.000 0.212 149 L C 1.965 178.791 176.870 -0.072 0.000 1.075 149 L CA 2.034 56.823 54.840 -0.084 0.000 0.752 149 L CB -1.095 40.900 42.059 -0.105 0.000 0.891 149 L HN 0.740 8.970 8.230 -0.000 0.000 0.432 150 D N -0.886 119.456 120.400 -0.097 0.000 2.117 150 D HA -0.196 4.477 4.640 0.056 0.000 0.197 150 D C 2.232 178.450 176.300 -0.136 0.000 0.987 150 D CA 1.313 55.259 54.000 -0.091 0.000 0.829 150 D CB -0.060 40.677 40.800 -0.106 0.000 0.961 150 D HN 0.549 8.919 8.370 -0.000 0.000 0.460 151 Q N -0.147 119.478 119.800 -0.292 0.000 2.079 151 Q HA -0.034 4.340 4.340 0.056 0.000 0.200 151 Q C 2.465 178.395 176.000 -0.117 0.000 0.974 151 Q CA 0.596 56.057 55.803 -0.571 0.000 0.840 151 Q CB 0.049 28.189 28.738 -0.997 0.000 0.898 151 Q HN 0.329 8.599 8.270 -0.000 0.000 0.430 152 I N 1.332 121.861 120.570 -0.068 0.000 2.208 152 I HA -0.313 3.890 4.170 0.056 0.000 0.245 152 I C 1.749 177.886 176.117 0.034 0.000 1.097 152 I CA 0.855 62.155 61.300 0.001 0.000 1.363 152 I CB -0.315 37.678 38.000 -0.012 0.000 1.051 152 I HN 0.226 8.436 8.210 -0.000 0.000 0.413 153 N N 0.279 119.021 118.700 0.070 0.000 2.120 153 N HA -0.141 4.633 4.740 0.056 0.000 0.188 153 N C 1.862 177.452 175.510 0.133 0.000 1.024 153 N CA 1.763 54.911 53.050 0.164 0.000 0.852 153 N CB -0.660 37.920 38.487 0.155 0.000 1.003 153 N HN 0.312 8.692 8.380 -0.000 0.000 0.424 154 T N 1.814 116.454 114.554 0.144 0.000 2.708 154 T HA 0.018 4.402 4.350 0.056 0.000 0.266 154 T C 2.116 176.905 174.700 0.148 0.000 1.037 154 T CA 0.647 62.864 62.100 0.194 0.000 1.146 154 T CB -0.234 68.852 68.868 0.363 0.000 0.865 154 T HN 0.132 8.372 8.240 -0.000 0.000 0.435 155 L N 1.465 122.781 121.223 0.154 0.000 2.046 155 L HA -0.072 4.302 4.340 0.056 0.000 0.208 155 L C 2.733 179.554 176.870 -0.081 0.000 1.077 155 L CA 1.047 55.883 54.840 -0.007 0.000 0.747 155 L CB -0.835 41.173 42.059 -0.086 0.000 0.896 155 L HN 0.257 8.487 8.230 -0.000 0.000 0.432 156 V N -3.825 116.031 119.914 -0.095 0.000 3.141 156 V HA -0.090 4.064 4.120 0.056 0.000 0.265 156 V C 2.031 178.048 176.094 -0.129 0.000 1.126 156 V CA 1.613 63.811 62.300 -0.170 0.000 1.141 156 V CB -1.094 30.522 31.823 -0.345 0.000 0.743 156 V HN 0.591 8.781 8.190 -0.000 0.000 0.492 157 T N -2.405 112.121 114.554 -0.046 0.000 3.069 157 T HA 0.386 4.770 4.350 0.056 0.000 0.252 157 T C 0.545 175.256 174.700 0.018 0.000 1.053 157 T CA -0.321 61.785 62.100 0.009 0.000 0.964 157 T CB -0.459 68.454 68.868 0.074 0.000 1.005 157 T HN 0.397 8.637 8.240 -0.000 0.000 0.532 158 L N 2.232 123.460 121.223 0.008 0.000 2.529 158 L HA 0.221 4.594 4.340 0.056 0.000 0.287 158 L C -2.065 174.815 176.870 0.018 0.000 1.241 158 L CA -1.715 53.135 54.840 0.016 0.000 0.857 158 L CB -0.174 41.891 42.059 0.010 0.000 1.113 158 L HN 0.020 8.250 8.230 -0.000 0.000 0.504 159 P HA 0.043 4.463 4.420 -0.000 0.000 0.262 159 P C 0.658 177.972 177.300 0.024 0.000 1.199 159 P CA 0.792 63.905 63.100 0.021 0.000 0.763 159 P CB 0.628 32.339 31.700 0.019 0.000 0.790 160 G N 1.679 110.494 108.800 0.025 0.000 2.179 160 G HA2 -0.184 3.810 3.960 0.056 0.000 0.220 160 G HA3 -0.184 3.810 3.960 0.056 0.000 0.220 160 G C -0.062 174.861 174.900 0.039 0.000 0.990 160 G CA -0.355 44.764 45.100 0.031 0.000 0.646 160 G HN 0.493 8.783 8.290 -0.000 0.000 0.517 161 V N 1.456 121.387 119.914 0.029 0.000 2.432 161 V HA 0.590 4.743 4.120 0.056 0.000 0.271 161 V C 1.514 177.619 176.094 0.018 0.000 1.046 161 V CA 0.849 63.164 62.300 0.024 0.000 0.945 161 V CB 1.184 33.000 31.823 -0.012 0.000 0.992 161 V HN 0.550 8.740 8.190 -0.000 0.000 0.471 162 G N 3.125 111.949 108.800 0.040 0.000 2.921 162 G HA2 0.598 4.592 3.960 0.056 0.000 0.213 162 G HA3 0.598 4.592 3.960 0.056 0.000 0.213 162 G C 0.290 175.204 174.900 0.024 0.000 1.143 162 G CA 0.751 45.872 45.100 0.035 0.000 0.764 162 G HN 1.000 9.290 8.290 -0.000 0.000 0.542 163 A N -1.089 121.757 122.820 0.044 0.000 2.586 163 A HA 0.741 5.094 4.320 0.056 0.000 0.290 163 A C -2.013 175.614 177.584 0.071 0.000 1.086 163 A CA -0.487 51.574 52.037 0.039 0.000 0.665 163 A CB 1.282 20.355 19.000 0.122 0.000 1.279 163 A HN 0.549 8.699 8.150 -0.000 0.000 0.423 167 T N 1.800 116.360 114.554 0.010 0.000 3.598 167 T HA 0.521 4.904 4.350 0.056 0.000 0.343 167 T C -0.586 174.056 174.700 -0.098 0.000 1.697 167 T CA 0.053 62.017 62.100 -0.227 0.000 1.247 167 T CB 0.165 68.840 68.868 -0.323 0.000 1.210 167 T HN 0.365 8.605 8.240 -0.000 0.000 0.820 168 S N 0.633 116.415 115.700 0.137 0.000 2.547 168 S HA 0.588 5.092 4.470 0.056 0.000 0.281 168 S C 1.210 176.032 174.600 0.370 0.000 1.118 168 S CA -0.623 57.750 58.200 0.288 0.000 0.947 168 S CB 1.414 64.702 63.200 0.147 0.000 1.053 168 S HN 0.509 8.819 8.310 -0.000 0.000 0.482 169 G N 1.817 110.805 108.800 0.314 0.000 3.026 169 G HA2 0.072 4.066 3.960 0.056 0.000 0.208 169 G HA3 0.072 4.066 3.960 0.056 0.000 0.208 169 G C 0.157 175.119 174.900 0.103 0.000 1.169 169 G CA -0.063 45.122 45.100 0.141 0.000 0.788 169 G HN 0.696 8.986 8.290 -0.000 0.000 0.533 170 D N 0.858 121.327 120.400 0.115 0.000 2.453 170 D HA 0.159 4.833 4.640 0.056 0.000 0.223 170 D C 1.450 177.814 176.300 0.107 0.000 1.183 170 D CA -0.408 53.653 54.000 0.101 0.000 0.933 170 D CB 0.270 41.123 40.800 0.088 0.000 1.038 170 D HN 0.069 8.439 8.370 -0.000 0.000 0.513 171 L N 3.260 124.550 121.223 0.112 0.000 2.554 171 L HA -0.071 4.302 4.340 0.056 0.000 0.226 171 L C 1.532 178.494 176.870 0.153 0.000 1.137 171 L CA 0.118 55.022 54.840 0.107 0.000 0.863 171 L CB -0.343 41.766 42.059 0.083 0.000 0.985 171 L HN 0.439 8.669 8.230 -0.000 0.000 0.451 172 Y N 1.317 121.630 120.300 0.021 0.000 2.163 172 Y HA -0.270 4.313 4.550 0.055 0.000 0.288 172 Y C 2.605 178.516 175.900 0.018 0.000 1.136 172 Y CA 1.686 59.795 58.100 0.015 0.000 1.147 172 Y CB -0.388 38.078 38.460 0.010 0.000 0.987 172 Y HN 0.180 8.460 8.280 -0.000 0.000 0.509 173 Q N -0.724 119.046 119.800 -0.051 0.000 2.124 173 Q HA -0.228 4.146 4.340 0.056 0.000 0.202 173 Q C 2.266 178.228 176.000 -0.063 0.000 0.977 173 Q CA 1.800 57.510 55.803 -0.154 0.000 0.850 173 Q CB -0.179 28.513 28.738 -0.077 0.000 0.901 173 Q HN 0.512 8.782 8.270 -0.000 0.000 0.429 174 M N 0.874 120.479 119.600 0.008 0.000 2.065 174 M HA -0.218 4.296 4.480 0.056 0.000 0.259 174 M C 1.925 178.235 176.300 0.016 0.000 1.069 174 M CA 1.807 57.122 55.300 0.025 0.000 1.110 174 M CB -0.376 32.252 32.600 0.046 0.000 1.328 174 M HN 0.200 8.490 8.290 -0.000 0.000 0.405 175 E N -0.090 120.128 120.200 0.029 0.000 2.058 175 E HA -0.258 4.126 4.350 0.056 0.000 0.194 175 E C 1.916 178.516 176.600 -0.000 0.000 0.997 175 E CA 1.871 58.292 56.400 0.034 0.000 0.801 175 E CB -0.350 29.405 29.700 0.091 0.000 0.746 175 E HN 0.737 9.097 8.360 -0.000 0.000 0.450 176 Q N -0.134 119.629 119.800 -0.062 0.000 2.135 176 Q HA -0.124 4.249 4.340 0.056 0.000 0.204 176 Q C 2.442 178.411 176.000 -0.052 0.000 0.981 176 Q CA 1.538 57.276 55.803 -0.108 0.000 0.856 176 Q CB -0.093 28.488 28.738 -0.261 0.000 0.902 176 Q HN 0.370 8.640 8.270 -0.000 0.000 0.425 177 I N -0.030 120.536 120.570 -0.007 0.000 2.286 177 I HA -0.226 3.977 4.170 0.056 0.000 0.245 177 I C 2.464 178.643 176.117 0.103 0.000 1.104 177 I CA 0.763 62.119 61.300 0.094 0.000 1.397 177 I CB -0.100 37.949 38.000 0.081 0.000 1.072 177 I HN 0.050 8.260 8.210 -0.000 0.000 0.417 178 R N 1.546 122.073 120.500 0.045 0.000 2.081 178 R HA -0.174 4.199 4.340 0.056 0.000 0.235 178 R C 2.294 178.602 176.300 0.013 0.000 1.131 178 R CA 1.667 57.788 56.100 0.035 0.000 0.960 178 R CB -0.581 29.728 30.300 0.016 0.000 0.856 178 R HN 0.205 8.475 8.270 -0.000 0.000 0.436 179 R N -0.090 120.404 120.500 -0.009 0.000 2.081 179 R HA -0.149 4.225 4.340 0.056 0.000 0.235 179 R C 1.870 178.117 176.300 -0.089 0.000 1.131 179 R CA 1.981 58.060 56.100 -0.034 0.000 0.960 179 R CB -0.289 29.994 30.300 -0.027 0.000 0.856 179 R HN 0.271 8.541 8.270 -0.000 0.000 0.436 180 E N -0.409 119.694 120.200 -0.162 0.000 2.285 180 E HA -0.086 4.298 4.350 0.056 0.000 0.194 180 E C -0.469 175.788 176.600 -0.571 0.000 0.997 180 E CA 1.037 57.205 56.400 -0.387 0.000 0.845 180 E CB 0.264 29.651 29.700 -0.521 0.000 0.782 180 E HN 0.562 8.922 8.360 -0.000 0.000 0.491 181 H N -0.682 118.378 119.070 -0.016 0.000 2.488 181 H HA 0.203 4.792 4.556 0.055 0.000 0.237 181 H C -1.970 173.348 175.328 -0.016 0.000 1.395 181 H CA -1.577 54.463 56.048 -0.014 0.000 1.491 181 H CB 1.397 31.150 29.762 -0.015 0.000 1.567 181 H HN 0.076 8.356 8.280 -0.000 0.000 0.508 182 P HA -0.157 4.263 4.420 -0.000 0.000 0.220 182 P C 0.480 177.798 177.300 0.029 0.000 1.148 182 P CA 1.158 64.276 63.100 0.029 0.000 0.803 182 P CB 0.627 32.333 31.700 0.010 0.000 0.782 183 D N -0.745 119.679 120.400 0.040 0.000 2.348 183 D HA 0.038 4.712 4.640 0.056 0.000 0.211 183 D C 0.936 177.238 176.300 0.004 0.000 0.998 183 D CA -0.067 53.945 54.000 0.020 0.000 0.873 183 D CB -0.316 40.497 40.800 0.023 0.000 0.925 183 D HN 0.153 8.523 8.370 -0.000 0.000 0.524 184 L N 1.680 122.912 121.223 0.015 0.000 2.540 184 L HA -0.030 4.344 4.340 0.056 0.000 0.276 184 L C -0.164 176.657 176.870 -0.081 0.000 1.212 184 L CA 0.085 54.908 54.840 -0.029 0.000 0.893 184 L CB 0.816 42.859 42.059 -0.028 0.000 1.138 184 L HN -0.279 7.951 8.230 -0.000 0.000 0.491 185 V N 7.106 126.945 119.914 -0.125 0.000 2.446 185 V HA 0.071 4.225 4.120 0.056 0.000 0.276 185 V C 0.043 175.945 176.094 -0.319 0.000 1.030 185 V CA -0.049 62.095 62.300 -0.260 0.000 1.033 185 V CB 0.704 32.355 31.823 -0.285 0.000 0.993 185 V HN 0.546 8.736 8.190 -0.000 0.000 0.477 186 L N 8.157 129.189 121.223 -0.319 0.000 2.401 186 L HA 0.503 4.877 4.340 0.056 0.000 0.263 186 L C -0.906 175.876 176.870 -0.146 0.000 1.004 186 L CA -0.238 54.500 54.840 -0.169 0.000 0.881 186 L CB 0.881 42.897 42.059 -0.072 0.000 1.219 186 L HN 0.501 8.731 8.230 -0.000 0.000 0.441 187 Y N 2.542 122.856 120.300 0.023 0.000 2.365 187 Y HA 0.272 4.851 4.550 0.049 0.000 0.340 187 Y C 0.936 176.857 175.900 0.035 0.000 1.016 187 Y CA -0.190 57.930 58.100 0.033 0.000 1.196 187 Y CB 0.475 38.923 38.460 -0.020 0.000 1.167 187 Y HN 0.635 8.915 8.280 -0.000 0.000 0.509 188 N N 1.723 120.560 118.700 0.228 0.000 2.440 188 N HA 0.056 4.830 4.740 0.056 0.000 0.265 188 N C 1.052 176.664 175.510 0.171 0.000 1.239 188 N CA 0.610 53.783 53.050 0.204 0.000 0.909 188 N CB 0.653 39.287 38.487 0.246 0.000 1.066 188 N HN 0.913 9.293 8.380 -0.000 0.000 0.474 189 G N 2.379 111.214 108.800 0.057 0.000 2.662 189 G HA2 -0.058 3.936 3.960 0.056 0.000 0.212 189 G HA3 -0.058 3.936 3.960 0.056 0.000 0.212 189 G C -0.369 174.445 174.900 -0.143 0.000 1.141 189 G CA 0.162 45.190 45.100 -0.120 0.000 0.797 189 G HN 0.534 8.824 8.290 -0.000 0.000 0.531 190 Y N 1.928 122.285 120.300 0.096 0.000 2.404 190 Y HA 0.298 4.881 4.550 0.055 0.000 0.344 190 Y C 0.789 176.787 175.900 0.163 0.000 0.970 190 Y CA -1.567 56.592 58.100 0.098 0.000 1.180 190 Y CB 1.367 39.883 38.460 0.094 0.000 1.138 190 Y HN -0.002 8.278 8.280 -0.000 0.000 0.510 191 D N 1.085 121.661 120.400 0.294 0.000 2.123 191 D HA -0.205 4.469 4.640 0.056 0.000 0.196 191 D C 1.808 178.351 176.300 0.406 0.000 0.992 191 D CA 1.515 55.700 54.000 0.308 0.000 0.833 191 D CB 0.113 41.023 40.800 0.182 0.000 0.954 191 D HN 0.696 9.066 8.370 -0.000 0.000 0.455 192 E N 1.030 121.406 120.200 0.294 0.000 2.409 192 E HA -0.140 4.244 4.350 0.056 0.000 0.198 192 E C 1.768 178.484 176.600 0.194 0.000 1.024 192 E CA 0.604 57.129 56.400 0.208 0.000 0.861 192 E CB -0.405 29.366 29.700 0.119 0.000 0.788 192 E HN 0.541 8.901 8.360 -0.000 0.000 0.521 193 I N -3.999 116.718 120.570 0.246 0.000 3.947 193 I HA 0.284 4.488 4.170 0.056 0.000 0.327 193 I C 1.406 177.673 176.117 0.249 0.000 1.519 193 I CA -0.728 60.693 61.300 0.202 0.000 1.122 193 I CB -0.210 37.879 38.000 0.147 0.000 1.146 193 I HN -0.256 7.954 8.210 -0.000 0.000 0.442 194 F N 3.175 123.243 119.950 0.196 0.000 2.063 194 F HA -0.299 4.244 4.527 0.027 0.000 0.298 194 F C 2.485 178.370 175.800 0.140 0.000 1.109 194 F CA 2.429 60.555 58.000 0.209 0.000 1.212 194 F CB -0.293 38.911 39.000 0.340 0.000 0.973 194 F HN 0.231 8.531 8.300 -0.000 0.000 0.480 195 A N -0.602 122.292 122.820 0.123 0.000 1.865 195 A HA -0.215 4.139 4.320 0.056 0.000 0.217 195 A C 2.372 179.918 177.584 -0.063 0.000 1.191 195 A CA 2.351 54.377 52.037 -0.019 0.000 0.623 195 A CB -1.395 17.645 19.000 0.067 0.000 0.826 195 A HN 0.469 8.619 8.150 -0.000 0.000 0.444 196 S N -0.477 115.224 115.700 0.002 0.000 2.382 196 S HA -0.047 4.456 4.470 0.056 0.000 0.228 196 S C 2.051 176.643 174.600 -0.013 0.000 1.027 196 S CA 1.056 59.258 58.200 0.003 0.000 0.991 196 S CB -0.655 62.565 63.200 0.033 0.000 0.823 196 S HN 0.794 9.104 8.310 -0.000 0.000 0.469 197 G N 1.870 110.660 108.800 -0.016 0.000 2.418 197 G HA2 -0.133 3.861 3.960 0.056 0.000 0.217 197 G HA3 -0.133 3.861 3.960 0.056 0.000 0.217 197 G C 1.331 176.182 174.900 -0.083 0.000 1.158 197 G CA 0.589 45.678 45.100 -0.018 0.000 0.771 197 G HN 0.422 8.712 8.290 -0.000 0.000 0.545 198 L N -0.454 120.649 121.223 -0.199 0.000 1.990 198 L HA -0.118 4.256 4.340 0.056 0.000 0.213 198 L C 2.753 179.561 176.870 -0.102 0.000 1.072 198 L CA 0.868 55.584 54.840 -0.206 0.000 0.755 198 L CB -0.534 41.328 42.059 -0.328 0.000 0.889 198 L HN 0.216 8.446 8.230 -0.000 0.000 0.432 199 L N 0.076 121.253 121.223 -0.077 0.000 2.042 199 L HA -0.180 4.194 4.340 0.056 0.000 0.210 199 L C 2.622 179.482 176.870 -0.017 0.000 1.076 199 L CA 1.984 56.802 54.840 -0.037 0.000 0.749 199 L CB -0.629 41.416 42.059 -0.023 0.000 0.893 199 L HN 0.185 8.415 8.230 -0.000 0.000 0.432 200 A N -1.453 121.362 122.820 -0.007 0.000 2.070 200 A HA 0.193 4.547 4.320 0.056 0.000 0.220 200 A C 1.776 179.365 177.584 0.009 0.000 1.159 200 A CA 1.363 53.409 52.037 0.015 0.000 0.656 200 A CB -0.679 18.341 19.000 0.034 0.000 0.800 200 A HN 0.766 8.916 8.150 -0.000 0.000 0.453 201 G N -3.264 105.529 108.800 -0.012 0.000 2.507 201 G HA2 0.330 4.324 3.960 0.056 0.000 0.205 201 G HA3 0.330 4.324 3.960 0.056 0.000 0.205 201 G C 0.211 175.095 174.900 -0.027 0.000 0.996 201 G CA 0.033 45.124 45.100 -0.015 0.000 0.776 201 G HN 1.252 9.542 8.290 -0.000 0.000 0.532 202 A N 0.959 123.755 122.820 -0.040 0.000 2.425 202 A HA 0.545 4.898 4.320 0.056 0.000 0.249 202 A C 1.072 178.614 177.584 -0.069 0.000 1.084 202 A CA 0.851 52.860 52.037 -0.046 0.000 0.781 202 A CB 0.372 19.354 19.000 -0.031 0.000 1.019 202 A HN 0.639 8.789 8.150 -0.000 0.000 0.490 203 D N 0.515 120.877 120.400 -0.064 0.000 2.431 203 D HA 0.391 5.065 4.640 0.056 0.000 0.213 203 D C 0.517 176.816 176.300 -0.003 0.000 1.130 203 D CA 0.693 54.663 54.000 -0.050 0.000 0.834 203 D CB 0.179 40.944 40.800 -0.058 0.000 0.985 203 D HN 0.748 9.118 8.370 -0.000 0.000 0.504 204 G N -1.606 107.224 108.800 0.050 0.000 2.588 204 G HA2 0.612 4.606 3.960 0.056 0.000 0.281 204 G HA3 0.612 4.606 3.960 0.056 0.000 0.281 204 G C -0.951 174.240 174.900 0.485 0.000 1.223 204 G CA -0.340 44.916 45.100 0.260 0.000 0.871 204 G HN 0.489 8.779 8.290 -0.000 0.000 0.492 205 G N -1.245 107.950 108.800 0.659 0.000 2.677 205 G HA2 0.606 4.600 3.960 0.056 0.000 0.291 205 G HA3 0.606 4.600 3.960 0.056 0.000 0.291 205 G C -1.897 173.199 174.900 0.326 0.000 1.435 205 G CA -0.594 44.877 45.100 0.618 0.000 0.826 205 G HN 0.693 8.983 8.290 -0.000 0.000 0.491 206 I N 0.459 120.984 120.570 -0.075 0.000 2.499 206 I HA 0.694 4.898 4.170 0.056 0.000 0.288 206 I C 0.248 175.889 176.117 -0.793 0.000 1.048 206 I CA -0.587 60.394 61.300 -0.531 0.000 1.062 206 I CB 2.452 39.941 38.000 -0.852 0.000 1.238 206 I HN 0.811 9.021 8.210 -0.000 0.000 0.426 207 G N 2.094 110.058 108.800 -1.393 0.000 2.718 207 G HA2 0.371 4.365 3.960 0.056 0.000 0.295 207 G HA3 0.371 4.365 3.960 0.056 0.000 0.295 207 G C 0.301 174.607 174.900 -0.989 0.000 1.421 207 G CA -0.012 44.291 45.100 -1.328 0.000 0.902 207 G HN 0.603 8.893 8.290 -0.000 0.000 0.501 208 S N -0.463 114.941 115.700 -0.493 0.000 2.368 208 S HA -0.158 4.346 4.470 0.056 0.000 0.224 208 S C 2.277 176.776 174.600 -0.168 0.000 1.029 208 S CA 2.332 60.380 58.200 -0.253 0.000 0.988 208 S CB -0.656 62.530 63.200 -0.024 0.000 0.838 208 S HN 1.242 9.552 8.310 -0.000 0.000 0.462 209 T N -1.853 112.626 114.554 -0.125 0.000 3.085 209 T HA 0.055 4.438 4.350 0.056 0.000 0.263 209 T C 1.442 176.201 174.700 0.097 0.000 1.127 209 T CA 0.320 62.437 62.100 0.028 0.000 1.103 209 T CB -0.721 68.225 68.868 0.129 0.000 0.921 209 T HN 0.369 8.609 8.240 -0.000 0.000 0.510 210 Y N 2.733 122.879 120.300 -0.257 0.000 2.315 210 Y HA -0.015 4.574 4.550 0.064 0.000 0.288 210 Y C 2.351 178.207 175.900 -0.073 0.000 1.154 210 Y CA -0.347 57.622 58.100 -0.217 0.000 1.229 210 Y CB -1.282 37.001 38.460 -0.295 0.000 0.980 210 Y HN 0.341 8.621 8.280 -0.000 0.000 0.540 211 N N 0.730 119.479 118.700 0.081 0.000 2.348 211 N HA -0.148 4.625 4.740 0.056 0.000 0.185 211 N C 1.627 177.185 175.510 0.081 0.000 1.019 211 N CA 1.883 54.971 53.050 0.063 0.000 0.880 211 N CB -0.168 38.301 38.487 -0.030 0.000 0.965 211 N HN 0.607 8.987 8.380 -0.000 0.000 0.437 212 I N -3.189 117.414 120.570 0.055 0.000 4.288 212 I HA 0.264 4.467 4.170 0.056 0.000 0.331 212 I C 1.076 177.154 176.117 -0.064 0.000 1.322 212 I CA 0.065 61.400 61.300 0.059 0.000 1.149 212 I CB 0.317 38.329 38.000 0.020 0.000 1.112 212 I HN -0.110 8.100 8.210 -0.000 0.000 0.403 213 M N -0.383 119.044 119.600 -0.288 0.000 4.510 213 M HA 0.503 5.016 4.480 0.056 0.000 0.567 213 M C 0.819 176.651 176.300 -0.779 0.000 2.034 213 M CA 0.010 54.671 55.300 -1.066 0.000 0.564 213 M CB -0.111 32.015 32.600 -0.790 0.000 1.478 213 M HN -0.045 8.245 8.290 -0.000 0.000 0.607 214 G N 1.703 110.348 108.800 -0.258 0.000 2.485 214 G HA2 -0.233 3.760 3.960 0.056 0.000 0.221 214 G HA3 -0.233 3.760 3.960 0.056 0.000 0.221 214 G C 0.905 175.740 174.900 -0.108 0.000 1.115 214 G CA 1.488 46.525 45.100 -0.105 0.000 0.751 214 G HN 0.938 9.228 8.290 -0.000 0.000 0.567 215 W N 0.953 122.264 121.300 0.018 0.000 2.363 215 W HA 0.038 4.724 4.660 0.044 0.000 0.296 215 W C 2.368 178.856 176.519 -0.052 0.000 1.212 215 W CA 0.769 58.103 57.345 -0.018 0.000 1.260 215 W CB -0.464 28.988 29.460 -0.013 0.000 1.131 215 W HN 0.031 8.211 8.180 -0.000 0.000 0.530 216 R N -0.302 119.815 120.500 -0.639 0.000 2.091 216 R HA -0.196 4.178 4.340 0.056 0.000 0.238 216 R C 2.153 178.210 176.300 -0.406 0.000 1.136 216 R CA 2.217 58.050 56.100 -0.445 0.000 0.959 216 R CB -1.056 28.850 30.300 -0.656 0.000 0.856 216 R HN 0.336 8.606 8.270 -0.000 0.000 0.437 217 Y N 0.565 120.612 120.300 -0.421 0.000 2.263 217 Y HA -0.152 4.425 4.550 0.045 0.000 0.292 217 Y C 2.508 178.249 175.900 -0.264 0.000 1.130 217 Y CA 1.067 58.840 58.100 -0.547 0.000 1.179 217 Y CB -0.179 37.528 38.460 -1.255 0.000 0.998 217 Y HN 0.089 8.369 8.280 -0.000 0.000 0.532 218 Q N -0.326 119.446 119.800 -0.047 0.000 2.079 218 Q HA -0.106 4.268 4.340 0.056 0.000 0.200 218 Q C 2.648 178.701 176.000 0.088 0.000 0.974 218 Q CA 1.193 57.030 55.803 0.057 0.000 0.840 218 Q CB -0.551 28.227 28.738 0.066 0.000 0.898 218 Q HN 0.597 8.867 8.270 -0.000 0.000 0.430 219 G N 0.843 109.686 108.800 0.072 0.000 2.503 219 G HA2 -0.273 3.721 3.960 0.056 0.000 0.221 219 G HA3 -0.273 3.721 3.960 0.056 0.000 0.221 219 G C 1.334 176.275 174.900 0.068 0.000 1.131 219 G CA 0.912 46.057 45.100 0.074 0.000 0.756 219 G HN 0.276 8.566 8.290 -0.000 0.000 0.572 220 I N -0.200 120.420 120.570 0.083 0.000 2.406 220 I HA -0.069 4.134 4.170 0.056 0.000 0.249 220 I C 2.699 178.920 176.117 0.172 0.000 1.122 220 I CA 0.203 61.589 61.300 0.142 0.000 1.431 220 I CB -0.016 38.144 38.000 0.266 0.000 1.087 220 I HN 0.030 8.240 8.210 -0.000 0.000 0.424 221 V N 1.128 121.183 119.914 0.235 0.000 2.407 221 V HA -0.306 3.848 4.120 0.056 0.000 0.248 221 V C 2.518 178.668 176.094 0.093 0.000 1.055 221 V CA 1.926 64.328 62.300 0.170 0.000 1.049 221 V CB -0.545 31.407 31.823 0.215 0.000 0.662 221 V HN 0.416 8.606 8.190 -0.000 0.000 0.455 222 K N 0.241 120.693 120.400 0.087 0.000 2.001 222 K HA -0.157 4.197 4.320 0.056 0.000 0.208 222 K C 2.236 178.864 176.600 0.047 0.000 1.048 222 K CA 1.555 57.878 56.287 0.060 0.000 0.932 222 K CB -0.410 32.125 32.500 0.058 0.000 0.715 222 K HN 0.377 8.627 8.250 -0.000 0.000 0.437 223 A N 1.611 124.461 122.820 0.050 0.000 1.903 223 A HA -0.190 4.164 4.320 0.056 0.000 0.219 223 A C 2.182 179.783 177.584 0.029 0.000 1.191 223 A CA 1.777 53.837 52.037 0.037 0.000 0.638 223 A CB -0.770 18.254 19.000 0.039 0.000 0.823 223 A HN 0.375 8.525 8.150 -0.000 0.000 0.451 224 L N -1.243 119.998 121.223 0.029 0.000 2.072 224 L HA -0.147 4.227 4.340 0.056 0.000 0.205 224 L C 2.578 179.455 176.870 0.012 0.000 1.079 224 L CA 1.503 56.351 54.840 0.014 0.000 0.752 224 L CB -0.466 41.592 42.059 -0.001 0.000 0.906 224 L HN 0.343 8.573 8.230 -0.000 0.000 0.436 225 K N 0.434 120.845 120.400 0.018 0.000 2.113 225 K HA -0.217 4.137 4.320 0.056 0.000 0.208 225 K C 1.794 178.402 176.600 0.013 0.000 1.047 225 K CA 1.682 57.978 56.287 0.015 0.000 0.928 225 K CB -0.078 32.435 32.500 0.022 0.000 0.716 225 K HN 0.400 8.650 8.250 -0.000 0.000 0.446 226 E N -0.948 119.262 120.200 0.016 0.000 2.481 226 E HA 0.009 4.393 4.350 0.056 0.000 0.195 226 E C 0.859 177.465 176.600 0.011 0.000 1.047 226 E CA 0.392 56.800 56.400 0.013 0.000 0.867 226 E CB 0.364 30.073 29.700 0.015 0.000 0.858 226 E HN 0.471 8.831 8.360 -0.000 0.000 0.513 227 G N 2.444 111.250 108.800 0.010 0.000 2.143 227 G HA2 -0.281 3.712 3.960 0.056 0.000 0.248 227 G HA3 -0.281 3.712 3.960 0.056 0.000 0.248 227 G C -0.096 174.809 174.900 0.009 0.000 0.991 227 G CA 0.310 45.414 45.100 0.008 0.000 0.689 227 G HN 0.317 8.607 8.290 -0.000 0.000 0.522 228 D N 0.456 120.862 120.400 0.012 0.000 2.470 228 D HA 0.366 5.040 4.640 0.056 0.000 0.226 228 D C 1.702 178.010 176.300 0.013 0.000 1.196 228 D CA -0.523 53.484 54.000 0.012 0.000 0.979 228 D CB -0.403 40.405 40.800 0.015 0.000 1.059 228 D HN 0.335 8.705 8.370 -0.000 0.000 0.515 229 I N 1.892 122.468 120.570 0.010 0.000 2.353 229 I HA -0.249 3.954 4.170 0.056 0.000 0.248 229 I C 2.051 178.174 176.117 0.011 0.000 1.119 229 I CA 0.495 61.801 61.300 0.010 0.000 1.417 229 I CB 0.058 38.062 38.000 0.007 0.000 1.078 229 I HN 0.294 8.504 8.210 -0.000 0.000 0.421 230 Q N 0.403 120.210 119.800 0.010 0.000 2.112 230 Q HA -0.199 4.174 4.340 0.056 0.000 0.206 230 Q C 2.232 178.239 176.000 0.012 0.000 0.987 230 Q CA 2.345 58.154 55.803 0.010 0.000 0.858 230 Q CB -0.490 28.253 28.738 0.009 0.000 0.905 230 Q HN 0.395 8.665 8.270 -0.000 0.000 0.420 231 T N -0.047 114.515 114.554 0.014 0.000 2.812 231 T HA -0.082 4.302 4.350 0.056 0.000 0.264 231 T C 1.754 176.465 174.700 0.017 0.000 1.042 231 T CA 1.013 63.123 62.100 0.017 0.000 1.140 231 T CB -0.461 68.419 68.868 0.020 0.000 0.870 231 T HN 0.427 8.667 8.240 -0.000 0.000 0.445 232 A N 1.625 124.458 122.820 0.021 0.000 1.884 232 A HA -0.274 4.080 4.320 0.056 0.000 0.219 232 A C 2.257 179.854 177.584 0.021 0.000 1.197 232 A CA 2.026 54.079 52.037 0.027 0.000 0.637 232 A CB -0.788 18.228 19.000 0.026 0.000 0.827 232 A HN 0.572 8.722 8.150 -0.000 0.000 0.450 233 Q N -1.154 118.656 119.800 0.016 0.000 2.083 233 Q HA -0.128 4.245 4.340 0.056 0.000 0.198 233 Q C 2.249 178.253 176.000 0.007 0.000 0.969 233 Q CA 1.256 57.068 55.803 0.014 0.000 0.838 233 Q CB -0.193 28.552 28.738 0.013 0.000 0.900 233 Q HN 0.616 8.886 8.270 -0.000 0.000 0.436 234 K N 1.161 121.564 120.400 0.005 0.000 2.152 234 K HA -0.155 4.199 4.320 0.056 0.000 0.206 234 K C 1.820 178.414 176.600 -0.011 0.000 1.048 234 K CA 1.035 57.323 56.287 0.002 0.000 0.933 234 K CB -0.038 32.466 32.500 0.007 0.000 0.721 234 K HN 0.236 8.486 8.250 -0.000 0.000 0.447 235 L N 0.314 121.525 121.223 -0.020 0.000 2.127 235 L HA -0.120 4.254 4.340 0.056 0.000 0.203 235 L C 2.719 179.525 176.870 -0.106 0.000 1.080 235 L CA 0.818 55.622 54.840 -0.060 0.000 0.768 235 L CB -0.292 41.730 42.059 -0.062 0.000 0.924 235 L HN 0.172 8.402 8.230 -0.000 0.000 0.444 236 Q N -0.179 119.586 119.800 -0.059 0.000 2.135 236 Q HA -0.192 4.182 4.340 0.056 0.000 0.204 236 Q C 1.985 177.969 176.000 -0.026 0.000 0.981 236 Q CA 2.388 58.169 55.803 -0.036 0.000 0.856 236 Q CB -0.276 28.484 28.738 0.037 0.000 0.902 236 Q HN 0.326 8.596 8.270 -0.000 0.000 0.425 237 T N 0.795 115.340 114.554 -0.016 0.000 2.746 237 T HA -0.114 4.270 4.350 0.056 0.000 0.267 237 T C 1.352 176.042 174.700 -0.017 0.000 1.039 237 T CA 1.378 63.474 62.100 -0.007 0.000 1.142 237 T CB -0.149 68.719 68.868 -0.000 0.000 0.866 237 T HN 0.307 8.547 8.240 -0.000 0.000 0.444 238 E N 0.542 120.721 120.200 -0.034 0.000 2.072 238 E HA -0.040 4.343 4.350 0.056 0.000 0.190 238 E C 2.595 179.158 176.600 -0.062 0.000 0.982 238 E CA 0.489 56.868 56.400 -0.036 0.000 0.803 238 E CB -0.675 29.006 29.700 -0.032 0.000 0.755 238 E HN 0.467 8.827 8.360 -0.000 0.000 0.453 239 C N 1.207 120.434 119.300 -0.123 0.000 2.401 239 C HA -0.149 4.344 4.460 0.056 0.000 0.276 239 C C 2.408 177.387 174.990 -0.018 0.000 1.233 239 C CA 0.994 59.929 59.018 -0.139 0.000 1.753 239 C CB -1.371 26.192 27.740 -0.296 0.000 2.029 239 C HN 0.516 8.746 8.230 -0.000 0.000 0.478 240 N N -0.135 118.564 118.700 -0.001 0.000 2.300 240 N HA -0.091 4.683 4.740 0.056 0.000 0.179 240 N C 1.762 177.282 175.510 0.017 0.000 1.016 240 N CA 0.630 53.696 53.050 0.026 0.000 0.876 240 N CB -0.093 38.412 38.487 0.030 0.000 0.979 240 N HN 0.568 8.948 8.380 -0.000 0.000 0.432 241 K N 0.735 121.140 120.400 0.008 0.000 2.063 241 K HA -0.118 4.236 4.320 0.056 0.000 0.208 241 K C 1.955 178.563 176.600 0.013 0.000 1.048 241 K CA 1.059 57.352 56.287 0.011 0.000 0.928 241 K CB -0.080 32.426 32.500 0.009 0.000 0.713 241 K HN 0.027 8.277 8.250 -0.000 0.000 0.442 242 V N 1.555 121.475 119.914 0.011 0.000 2.307 242 V HA -0.226 3.927 4.120 0.056 0.000 0.245 242 V C 2.168 178.274 176.094 0.021 0.000 1.045 242 V CA 1.576 63.886 62.300 0.016 0.000 1.024 242 V CB -0.387 31.444 31.823 0.013 0.000 0.651 242 V HN 0.254 8.444 8.190 -0.000 0.000 0.449 243 I N 0.465 121.056 120.570 0.036 0.000 2.208 243 I HA -0.270 3.933 4.170 0.056 0.000 0.245 243 I C 2.280 178.405 176.117 0.013 0.000 1.097 243 I CA 1.645 62.970 61.300 0.041 0.000 1.363 243 I CB -0.601 37.443 38.000 0.074 0.000 1.051 243 I HN 0.318 8.528 8.210 -0.000 0.000 0.413 244 D N 0.707 121.113 120.400 0.010 0.000 2.116 244 D HA -0.210 4.464 4.640 0.056 0.000 0.193 244 D C 1.986 178.273 176.300 -0.022 0.000 0.998 244 D CA 1.247 55.245 54.000 -0.002 0.000 0.836 244 D CB -0.453 40.351 40.800 0.006 0.000 0.951 244 D HN 0.186 8.556 8.370 -0.000 0.000 0.449 245 L N 0.640 121.852 121.223 -0.019 0.000 1.994 245 L HA -0.098 4.276 4.340 0.056 0.000 0.208 245 L C 2.194 179.005 176.870 -0.099 0.000 1.071 245 L CA 1.459 56.272 54.840 -0.045 0.000 0.745 245 L CB -0.802 41.250 42.059 -0.012 0.000 0.892 245 L HN 0.037 8.267 8.230 -0.000 0.000 0.431 246 L N -0.961 120.227 121.223 -0.060 0.000 2.079 246 L HA -0.261 4.113 4.340 0.056 0.000 0.210 246 L C 2.546 179.356 176.870 -0.100 0.000 1.081 246 L CA 1.416 56.215 54.840 -0.069 0.000 0.752 246 L CB -0.508 41.540 42.059 -0.019 0.000 0.896 246 L HN 0.324 8.554 8.230 -0.000 0.000 0.433 247 I N -0.408 120.115 120.570 -0.079 0.000 2.252 247 I HA -0.279 3.924 4.170 0.056 0.000 0.245 247 I C 2.566 178.616 176.117 -0.111 0.000 1.102 247 I CA 1.288 62.542 61.300 -0.078 0.000 1.385 247 I CB -0.239 37.736 38.000 -0.042 0.000 1.064 247 I HN 0.208 8.418 8.210 -0.000 0.000 0.414 248 K N 0.285 120.597 120.400 -0.146 0.000 2.063 248 K HA -0.198 4.156 4.320 0.056 0.000 0.208 248 K C 2.083 178.435 176.600 -0.413 0.000 1.048 248 K CA 2.170 58.327 56.287 -0.216 0.000 0.928 248 K CB -0.302 32.067 32.500 -0.217 0.000 0.713 248 K HN 0.480 8.730 8.250 -0.000 0.000 0.442 249 T N -2.473 111.775 114.554 -0.509 0.000 3.043 249 T HA 0.146 4.529 4.350 0.056 0.000 0.263 249 T C 0.771 175.349 174.700 -0.202 0.000 1.094 249 T CA 0.364 62.145 62.100 -0.533 0.000 1.127 249 T CB 0.157 68.766 68.868 -0.433 0.000 0.905 249 T HN 0.316 8.556 8.240 -0.000 0.000 0.490 250 G N 0.038 108.747 108.800 -0.152 0.000 3.209 250 G HA2 -0.054 3.940 3.960 0.056 0.000 0.686 250 G HA3 -0.054 3.940 3.960 0.056 0.000 0.686 250 G C 0.185 175.007 174.900 -0.130 0.000 1.065 250 G CA -0.493 44.545 45.100 -0.103 0.000 0.812 250 G HN 0.293 8.583 8.290 -0.000 0.000 0.573 251 V N 3.140 122.936 119.914 -0.197 0.000 2.346 251 V HA -0.006 4.148 4.120 0.056 0.000 0.244 251 V C 2.589 178.677 176.094 -0.009 0.000 1.037 251 V CA 2.420 64.635 62.300 -0.140 0.000 1.029 251 V CB -0.705 31.012 31.823 -0.177 0.000 0.663 251 V HN 0.686 8.876 8.190 -0.000 0.000 0.454 252 F N 1.520 121.392 119.950 -0.132 0.000 2.163 252 F HA -0.032 4.528 4.527 0.056 0.000 0.297 252 F C 2.599 178.296 175.800 -0.172 0.000 1.094 252 F CA 1.359 59.248 58.000 -0.184 0.000 1.290 252 F CB -1.176 37.640 39.000 -0.306 0.000 1.017 252 F HN 0.204 8.504 8.300 -0.000 0.000 0.483 253 R N 0.324 120.816 120.500 -0.013 0.000 2.115 253 R HA 0.063 4.437 4.340 0.056 0.000 0.226 253 R C 2.349 178.644 176.300 -0.009 0.000 1.100 253 R CA 1.307 57.391 56.100 -0.027 0.000 0.980 253 R CB -1.375 28.906 30.300 -0.032 0.000 0.875 253 R HN 0.244 8.514 8.270 -0.000 0.000 0.445 254 G N 2.142 110.934 108.800 -0.014 0.000 2.433 254 G HA2 -0.193 3.801 3.960 0.056 0.000 0.216 254 G HA3 -0.193 3.801 3.960 0.056 0.000 0.216 254 G C 1.540 176.451 174.900 0.018 0.000 1.186 254 G CA 0.718 45.815 45.100 -0.004 0.000 0.779 254 G HN 0.166 8.456 8.290 -0.000 0.000 0.543 255 L N 0.060 121.295 121.223 0.020 0.000 2.013 255 L HA -0.157 4.216 4.340 0.056 0.000 0.212 255 L C 3.004 179.866 176.870 -0.013 0.000 1.073 255 L CA 1.633 56.481 54.840 0.013 0.000 0.753 255 L CB -0.273 41.802 42.059 0.027 0.000 0.890 255 L HN 0.201 8.431 8.230 -0.000 0.000 0.432 256 K N -1.089 119.299 120.400 -0.020 0.000 2.148 256 K HA -0.105 4.248 4.320 0.056 0.000 0.204 256 K C 2.042 178.621 176.600 -0.034 0.000 1.050 256 K CA 1.543 57.803 56.287 -0.045 0.000 0.942 256 K CB -0.133 32.338 32.500 -0.048 0.000 0.724 256 K HN 0.300 8.550 8.250 -0.000 0.000 0.446 257 T N 0.861 115.408 114.554 -0.012 0.000 2.777 257 T HA -0.084 4.300 4.350 0.056 0.000 0.266 257 T C 1.948 176.684 174.700 0.060 0.000 1.040 257 T CA 0.992 63.087 62.100 -0.008 0.000 1.141 257 T CB -0.062 68.835 68.868 0.050 0.000 0.868 257 T HN -0.063 8.177 8.240 -0.000 0.000 0.444 258 V N 1.524 121.502 119.914 0.105 0.000 2.490 258 V HA -0.077 4.077 4.120 0.056 0.000 0.250 258 V C 2.344 178.483 176.094 0.075 0.000 1.061 258 V CA 1.347 63.741 62.300 0.156 0.000 1.064 258 V CB -0.625 31.259 31.823 0.102 0.000 0.670 258 V HN 0.436 8.626 8.190 -0.000 0.000 0.461 259 L N -0.888 120.322 121.223 -0.021 0.000 2.291 259 L HA -0.116 4.258 4.340 0.056 0.000 0.214 259 L C 2.489 179.319 176.870 -0.067 0.000 1.120 259 L CA 1.242 56.014 54.840 -0.113 0.000 0.799 259 L CB -0.736 41.219 42.059 -0.174 0.000 0.925 259 L HN 0.460 8.690 8.230 -0.000 0.000 0.446 260 H N -0.435 118.536 119.070 -0.165 0.000 2.321 260 H HA -0.207 4.383 4.556 0.056 0.000 0.300 260 H C 2.002 177.211 175.328 -0.199 0.000 1.087 260 H CA 1.980 57.888 56.048 -0.234 0.000 1.319 260 H CB 0.133 29.663 29.762 -0.387 0.000 1.379 260 H HN 0.258 8.538 8.280 -0.000 0.000 0.501 261 Y N 0.188 120.468 120.300 -0.032 0.000 2.439 261 Y HA -0.051 4.532 4.550 0.055 0.000 0.292 261 Y C 2.345 178.207 175.900 -0.063 0.000 1.130 261 Y CA 0.593 58.648 58.100 -0.074 0.000 1.254 261 Y CB -0.133 38.335 38.460 0.014 0.000 1.000 261 Y HN 0.198 8.478 8.280 -0.000 0.000 0.554 262 M N -0.462 119.182 119.600 0.073 0.000 2.568 262 M HA 0.010 4.524 4.480 0.056 0.000 0.226 262 M C -0.218 176.086 176.300 0.006 0.000 1.148 262 M CA 0.561 55.890 55.300 0.048 0.000 1.007 262 M CB -0.230 32.374 32.600 0.007 0.000 1.651 262 M HN 0.030 8.320 8.290 -0.000 0.000 0.488 263 D N -0.634 119.731 120.400 -0.060 0.000 2.792 263 D HA -0.164 4.510 4.640 0.056 0.000 0.231 263 D C 0.643 176.924 176.300 -0.031 0.000 1.160 263 D CA 0.335 54.293 54.000 -0.070 0.000 0.697 263 D CB -0.770 40.012 40.800 -0.030 0.000 1.070 263 D HN 0.213 8.583 8.370 -0.000 0.000 0.426 264 V N -1.464 118.414 119.914 -0.061 0.000 2.922 264 V HA 0.122 4.276 4.120 0.056 0.000 0.242 264 V C 1.012 177.069 176.094 -0.061 0.000 1.094 264 V CA 0.413 62.677 62.300 -0.060 0.000 1.106 264 V CB 0.814 32.515 31.823 -0.204 0.000 0.799 264 V HN 0.081 8.271 8.190 -0.000 0.000 0.474 265 V N 0.028 119.905 119.914 -0.062 0.000 2.628 265 V HA 0.377 4.531 4.120 0.056 0.000 0.306 265 V C 0.843 176.976 176.094 0.065 0.000 1.045 265 V CA 0.158 62.441 62.300 -0.027 0.000 0.905 265 V CB 1.912 33.701 31.823 -0.057 0.000 0.997 265 V HN 0.292 8.482 8.190 -0.000 0.000 0.436 266 S N 2.455 118.195 115.700 0.066 0.000 2.441 266 S HA 0.154 4.658 4.470 0.056 0.000 0.224 266 S C 0.277 174.944 174.600 0.112 0.000 1.043 266 S CA 0.259 58.535 58.200 0.127 0.000 0.948 266 S CB 0.565 63.796 63.200 0.051 0.000 0.810 266 S HN 0.474 8.784 8.310 -0.000 0.000 0.504 267 V N 4.036 123.946 119.914 -0.006 0.000 2.419 267 V HA 0.327 4.481 4.120 0.056 0.000 0.287 267 V C -2.504 173.526 176.094 -0.107 0.000 1.017 267 V CA -1.577 60.662 62.300 -0.102 0.000 0.844 267 V CB 1.859 33.662 31.823 -0.034 0.000 1.011 267 V HN 0.112 8.302 8.190 -0.000 0.000 0.429 268 P HA 0.212 4.632 4.420 -0.000 0.000 0.235 268 P C -0.217 177.047 177.300 -0.060 0.000 1.725 268 P CA -0.043 62.979 63.100 -0.130 0.000 0.894 268 P CB 0.166 31.746 31.700 -0.199 0.000 1.704 269 L N 0.020 121.241 121.223 -0.004 0.000 2.334 269 L HA 0.299 4.672 4.340 0.056 0.000 0.277 269 L C 0.886 177.835 176.870 0.132 0.000 1.075 269 L CA -0.624 54.245 54.840 0.047 0.000 0.804 269 L CB 0.912 43.003 42.059 0.053 0.000 1.174 269 L HN 0.075 8.305 8.230 -0.000 0.000 0.438 270 C N 1.715 121.068 119.300 0.089 0.000 2.347 270 C HA 0.414 4.907 4.460 0.056 0.000 0.366 270 C C 0.836 175.864 174.990 0.063 0.000 1.241 270 C CA -0.798 58.281 59.018 0.102 0.000 2.360 270 C CB 0.984 28.613 27.740 -0.186 0.000 2.290 270 C HN 0.735 8.965 8.230 -0.000 0.000 0.587 271 R N 0.964 121.431 120.500 -0.055 0.000 2.531 271 R HA 0.207 4.580 4.340 0.056 0.000 0.273 271 R C -0.121 176.227 176.300 0.080 0.000 1.070 271 R CA -0.447 55.539 56.100 -0.190 0.000 1.112 271 R CB 0.479 30.501 30.300 -0.464 0.000 1.049 271 R HN 0.530 8.800 8.270 -0.000 0.000 0.508 272 K N 2.881 123.278 120.400 -0.005 0.000 2.401 272 K HA 0.052 4.406 4.320 0.056 0.000 0.278 272 K C -1.587 175.012 176.600 -0.002 0.000 1.018 272 K CA -1.133 55.163 56.287 0.015 0.000 0.981 272 K CB 0.536 33.026 32.500 -0.016 0.000 0.933 272 K HN 0.474 8.724 8.250 -0.000 0.000 0.477 273 P HA 0.119 4.539 4.420 -0.000 0.000 0.261 273 P C -0.351 176.894 177.300 -0.092 0.000 1.352 273 P CA -0.285 62.771 63.100 -0.073 0.000 0.891 273 P CB 0.175 31.812 31.700 -0.105 0.000 1.383 274 F N 1.631 121.587 119.950 0.009 0.000 2.602 274 F HA 0.249 4.810 4.527 0.057 0.000 0.385 274 F C 1.851 177.655 175.800 0.008 0.000 1.063 274 F CA 0.738 58.748 58.000 0.017 0.000 1.233 274 F CB 0.055 39.082 39.000 0.046 0.000 1.067 274 F HN -0.037 8.263 8.300 -0.000 0.000 0.564 275 G N 3.839 112.754 108.800 0.191 0.000 2.537 275 G HA2 0.592 4.586 3.960 0.056 0.000 0.297 275 G HA3 0.592 4.586 3.960 0.056 0.000 0.297 275 G C -2.635 172.337 174.900 0.120 0.000 1.310 275 G CA -1.240 43.931 45.100 0.118 0.000 1.027 275 G HN 0.415 8.705 8.290 -0.000 0.000 0.505 276 P HA 0.302 4.722 4.420 -0.000 0.000 0.279 276 P C -0.163 177.185 177.300 0.080 0.000 1.252 276 P CA -0.509 62.630 63.100 0.065 0.000 0.811 276 P CB 1.244 32.970 31.700 0.043 0.000 1.035 277 V N 2.061 122.020 119.914 0.076 0.000 2.540 277 V HA -0.056 4.098 4.120 0.056 0.000 0.297 277 V C 1.043 177.228 176.094 0.152 0.000 1.024 277 V CA 0.370 62.738 62.300 0.114 0.000 1.105 277 V CB -0.580 31.306 31.823 0.105 0.000 0.938 277 V HN 0.592 8.782 8.190 -0.000 0.000 0.482 278 D N 3.972 124.508 120.400 0.227 0.000 2.487 278 D HA -0.016 4.658 4.640 0.056 0.000 0.243 278 D C 1.259 177.644 176.300 0.141 0.000 1.154 278 D CA 0.299 54.406 54.000 0.178 0.000 0.876 278 D CB 0.895 41.810 40.800 0.192 0.000 1.161 278 D HN 0.682 9.052 8.370 -0.000 0.000 0.478 279 E N 2.691 122.931 120.200 0.066 0.000 2.171 279 E HA -0.275 4.108 4.350 0.056 0.000 0.197 279 E C 1.853 178.459 176.600 0.009 0.000 0.997 279 E CA 1.329 57.761 56.400 0.054 0.000 0.810 279 E CB 0.004 29.724 29.700 0.034 0.000 0.738 279 E HN 0.609 8.969 8.360 -0.000 0.000 0.467 280 K N 0.193 120.535 120.400 -0.097 0.000 2.286 280 K HA -0.217 4.137 4.320 0.056 0.000 0.203 280 K C 1.086 177.543 176.600 -0.239 0.000 1.045 280 K CA 1.557 57.716 56.287 -0.214 0.000 0.935 280 K CB -0.256 32.031 32.500 -0.355 0.000 0.737 280 K HN 0.230 8.480 8.250 -0.000 0.000 0.460 281 Y N 1.132 121.457 120.300 0.041 0.000 2.500 281 Y HA 0.202 4.786 4.550 0.057 0.000 0.270 281 Y C 1.942 177.879 175.900 0.062 0.000 1.134 281 Y CA -0.255 57.873 58.100 0.045 0.000 1.293 281 Y CB -0.020 38.469 38.460 0.048 0.000 1.063 281 Y HN -0.101 8.179 8.280 -0.000 0.000 0.534 282 L N 0.398 121.741 121.223 0.200 0.000 2.043 282 L HA -0.221 4.153 4.340 0.056 0.000 0.212 282 L C -0.409 176.518 176.870 0.096 0.000 1.075 282 L CA 1.559 56.519 54.840 0.201 0.000 0.752 282 L CB -1.696 40.483 42.059 0.200 0.000 0.891 282 L HN 0.178 8.408 8.230 -0.000 0.000 0.432 283 P HA -0.192 4.228 4.420 -0.000 0.000 0.215 283 P C 1.321 178.618 177.300 -0.004 0.000 1.157 283 P CA 1.426 64.523 63.100 -0.006 0.000 0.874 283 P CB 0.036 31.738 31.700 0.004 0.000 0.790 284 E N -0.965 119.270 120.200 0.058 0.000 2.106 284 E HA -0.111 4.273 4.350 0.056 0.000 0.192 284 E C 2.013 178.647 176.600 0.057 0.000 0.984 284 E CA 0.771 57.211 56.400 0.066 0.000 0.806 284 E CB -0.489 29.284 29.700 0.122 0.000 0.750 284 E HN 0.223 8.583 8.360 -0.000 0.000 0.458 285 L N 0.897 122.174 121.223 0.090 0.000 2.023 285 L HA -0.156 4.218 4.340 0.056 0.000 0.205 285 L C 2.617 179.514 176.870 0.045 0.000 1.073 285 L CA 1.122 56.035 54.840 0.122 0.000 0.745 285 L CB -0.403 41.794 42.059 0.230 0.000 0.900 285 L HN 0.017 8.247 8.230 -0.000 0.000 0.435 286 K N 0.571 120.847 120.400 -0.207 0.000 2.015 286 K HA -0.282 4.072 4.320 0.056 0.000 0.216 286 K C 2.095 178.552 176.600 -0.238 0.000 1.052 286 K CA 1.940 57.838 56.287 -0.648 0.000 0.937 286 K CB -0.229 31.730 32.500 -0.901 0.000 0.719 286 K HN 0.285 8.535 8.250 -0.000 0.000 0.446 287 A N 1.132 123.872 122.820 -0.133 0.000 1.933 287 A HA -0.155 4.198 4.320 0.056 0.000 0.218 287 A C 2.042 179.624 177.584 -0.004 0.000 1.175 287 A CA 1.503 53.507 52.037 -0.055 0.000 0.628 287 A CB -0.595 18.388 19.000 -0.029 0.000 0.814 287 A HN 0.455 8.605 8.150 -0.000 0.000 0.444 288 L N -0.320 120.915 121.223 0.019 0.000 2.093 288 L HA -0.002 4.372 4.340 0.056 0.000 0.208 288 L C 2.550 179.467 176.870 0.080 0.000 1.085 288 L CA 2.070 56.942 54.840 0.054 0.000 0.755 288 L CB -0.904 41.192 42.059 0.062 0.000 0.904 288 L HN 0.321 8.551 8.230 -0.000 0.000 0.435 289 A N -0.838 122.030 122.820 0.081 0.000 1.877 289 A HA -0.266 4.087 4.320 0.056 0.000 0.216 289 A C 2.216 179.861 177.584 0.100 0.000 1.186 289 A CA 1.919 54.026 52.037 0.117 0.000 0.620 289 A CB -0.646 18.455 19.000 0.168 0.000 0.822 289 A HN 0.645 8.795 8.150 -0.000 0.000 0.443 290 Q N -1.049 118.781 119.800 0.050 0.000 2.084 290 Q HA -0.231 4.142 4.340 0.056 0.000 0.202 290 Q C 2.387 178.421 176.000 0.058 0.000 0.978 290 Q CA 1.556 57.383 55.803 0.041 0.000 0.844 290 Q CB -0.197 28.543 28.738 0.003 0.000 0.898 290 Q HN 0.814 9.084 8.270 -0.000 0.000 0.426 291 Q N 0.647 120.485 119.800 0.062 0.000 2.061 291 Q HA -0.196 4.177 4.340 0.056 0.000 0.204 291 Q C 2.011 178.085 176.000 0.122 0.000 0.984 291 Q CA 1.234 57.083 55.803 0.077 0.000 0.846 291 Q CB -0.014 28.768 28.738 0.073 0.000 0.902 291 Q HN 0.415 8.685 8.270 -0.000 0.000 0.421 292 L N -0.283 121.043 121.223 0.173 0.000 2.131 292 L HA -0.137 4.236 4.340 0.056 0.000 0.206 292 L C 2.629 179.647 176.870 0.246 0.000 1.087 292 L CA 0.613 55.633 54.840 0.301 0.000 0.767 292 L CB -0.253 42.028 42.059 0.370 0.000 0.917 292 L HN 0.300 8.530 8.230 -0.000 0.000 0.441 293 M N -0.786 118.920 119.600 0.175 0.000 2.082 293 M HA -0.301 4.213 4.480 0.056 0.000 0.258 293 M C 2.332 178.644 176.300 0.020 0.000 1.069 293 M CA 1.903 57.268 55.300 0.107 0.000 1.102 293 M CB -0.439 32.223 32.600 0.102 0.000 1.336 293 M HN 0.248 8.538 8.290 -0.000 0.000 0.404 294 Q N -0.224 119.592 119.800 0.028 0.000 2.135 294 Q HA -0.244 4.130 4.340 0.056 0.000 0.204 294 Q C 1.944 177.918 176.000 -0.044 0.000 0.981 294 Q CA 1.712 57.512 55.803 -0.005 0.000 0.856 294 Q CB -0.168 28.577 28.738 0.013 0.000 0.902 294 Q HN 0.537 8.807 8.270 -0.000 0.000 0.425 295 E N 0.212 120.396 120.200 -0.027 0.000 2.152 295 E HA -0.113 4.271 4.350 0.056 0.000 0.192 295 E C 1.066 177.462 176.600 -0.339 0.000 0.983 295 E CA 0.435 56.788 56.400 -0.077 0.000 0.818 295 E CB 0.196 29.965 29.700 0.115 0.000 0.758 295 E HN 0.212 8.572 8.360 -0.000 0.000 0.467 296 R N 0.000 120.208 120.500 -0.487 0.000 2.786 296 R HA 0.000 4.374 4.340 0.056 0.000 0.208 296 R CA 0.000 55.635 56.100 -0.775 0.000 0.921 296 R CB 0.000 29.880 30.300 -0.701 0.000 0.687 296 R HN 0.000 8.270 8.270 -0.000 0.000 0.535