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 2p74_1_A DATA FIRST_RESID 26 DATA SEQUENCE TSAVQQKLAA LEKSSGGRLG VALIDTADNT QVXLYRGDER FPMCSTSKVM DATA SEQUENCE AAAAVLKQSE TQKQLLNQPV EIKPADLVNY NPIAEKHVNG TMTLAELSAA DATA SEQUENCE ALQYSDNTAM NKLIAQLGGP GGVTAFARAI GDETFRLDRT EPTLNTAIPG DATA SEQUENCE DPRDTTTPRA MAQTLRQLTL GHALGETQRA QLVTWLKGNT TGAASIRAGL DATA SEQUENCE PTSWTAGDKT GSGXDYGTTN DIAVIWPXQG RAPLVLVTYF TQPQQNAESR DATA SEQUENCE RDVLASAARI IAEGL 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 26 T HA 0.000 4.389 4.350 0.065 0.000 0.228 26 T C 0.000 174.728 174.700 0.046 0.000 1.109 26 T CA 0.000 62.132 62.100 0.054 0.000 1.349 26 T CB 0.000 68.904 68.868 0.060 0.000 0.612 27 S N 5.723 121.453 115.700 0.050 0.000 2.645 27 S HA 0.257 4.746 4.470 0.031 0.000 0.266 27 S C 1.100 175.719 174.600 0.032 0.000 1.258 27 S CA -0.949 57.274 58.200 0.037 0.000 0.990 27 S CB 2.067 65.290 63.200 0.038 0.000 0.967 27 S HN 0.482 9.185 8.310 0.061 -0.356 0.556 28 A N 1.534 124.366 122.820 0.021 0.000 1.908 28 A HA -0.197 4.130 4.320 0.011 0.000 0.218 28 A C 2.027 179.613 177.584 0.003 0.000 1.181 28 A CA 2.853 54.896 52.037 0.011 0.000 0.627 28 A CB -1.005 17.999 19.000 0.007 0.000 0.818 28 A HN 0.618 8.780 8.150 0.020 0.000 0.445 29 V N -1.153 118.766 119.914 0.007 0.000 2.295 29 V HA -0.444 3.666 4.120 -0.017 0.000 0.246 29 V C 2.408 178.494 176.094 -0.014 0.000 1.049 29 V CA 3.354 65.652 62.300 -0.004 0.000 1.024 29 V CB -0.739 31.090 31.823 0.010 0.000 0.648 29 V HN -0.133 8.066 8.190 0.014 0.000 0.447 30 Q N -1.367 118.451 119.800 0.028 0.000 2.124 30 Q HA -0.418 3.953 4.340 0.053 0.000 0.202 30 Q C 2.319 178.324 176.000 0.009 0.000 0.977 30 Q CA 3.567 59.411 55.803 0.067 0.000 0.850 30 Q CB -0.367 28.469 28.738 0.164 0.000 0.901 30 Q HN -0.329 7.966 8.270 0.042 0.000 0.429 31 Q N 0.044 119.853 119.800 0.016 0.000 2.119 31 Q HA -0.329 4.029 4.340 0.030 0.000 0.201 31 Q C 2.239 178.209 176.000 -0.049 0.000 0.972 31 Q CA 3.190 58.995 55.803 0.004 0.000 0.847 31 Q CB -0.157 28.590 28.738 0.016 0.000 0.903 31 Q HN -0.062 8.223 8.270 0.025 0.000 0.433 32 K N -0.075 120.287 120.400 -0.064 0.000 2.057 32 K HA -0.280 4.000 4.320 -0.067 0.000 0.206 32 K C 2.606 179.115 176.600 -0.153 0.000 1.050 32 K CA 3.323 59.559 56.287 -0.085 0.000 0.935 32 K CB -0.158 32.303 32.500 -0.065 0.000 0.715 32 K HN -0.378 7.844 8.250 -0.048 0.000 0.439 33 L N -1.567 119.510 121.223 -0.243 0.000 2.083 33 L HA -0.351 3.803 4.340 -0.311 0.000 0.209 33 L C 1.895 178.421 176.870 -0.574 0.000 1.083 33 L CA 2.965 57.542 54.840 -0.438 0.000 0.752 33 L CB -0.490 41.202 42.059 -0.611 0.000 0.899 33 L HN -0.088 8.019 8.230 -0.205 0.000 0.433 34 A N -1.233 121.293 122.820 -0.490 0.000 1.930 34 A HA -0.241 3.963 4.320 -0.192 0.000 0.217 34 A C 1.770 179.314 177.584 -0.066 0.000 1.175 34 A CA 2.667 54.590 52.037 -0.191 0.000 0.627 34 A CB -0.821 18.218 19.000 0.065 0.000 0.815 34 A HN -0.095 7.819 8.150 -0.394 0.000 0.443 35 A N -0.728 122.049 122.820 -0.071 0.000 1.898 35 A HA -0.238 4.076 4.320 -0.009 0.000 0.216 35 A C 1.695 179.256 177.584 -0.040 0.000 1.181 35 A CA 2.837 54.853 52.037 -0.036 0.000 0.620 35 A CB -0.728 18.251 19.000 -0.035 0.000 0.819 35 A HN -0.403 7.611 8.150 -0.093 0.079 0.442 36 L N -1.131 120.045 121.223 -0.079 0.000 2.012 36 L HA -0.421 3.879 4.340 -0.066 0.000 0.210 36 L C 1.541 178.391 176.870 -0.034 0.000 1.073 36 L CA 3.177 57.970 54.840 -0.078 0.000 0.748 36 L CB -0.399 41.587 42.059 -0.121 0.000 0.891 36 L HN -0.153 8.012 8.230 -0.109 0.000 0.431 37 E N -1.259 118.933 120.200 -0.014 0.000 2.058 37 E HA -0.440 4.014 4.350 0.173 0.000 0.194 37 E C 2.630 179.310 176.600 0.133 0.000 0.997 37 E CA 3.002 59.473 56.400 0.119 0.000 0.801 37 E CB -0.149 29.664 29.700 0.188 0.000 0.746 37 E HN -0.239 8.074 8.360 -0.079 0.000 0.450 38 K N -0.481 119.971 120.400 0.086 0.000 2.063 38 K HA -0.291 4.087 4.320 0.098 0.000 0.208 38 K C 2.621 179.262 176.600 0.069 0.000 1.048 38 K CA 3.346 59.681 56.287 0.080 0.000 0.928 38 K CB -0.114 32.421 32.500 0.057 0.000 0.713 38 K HN -0.129 8.156 8.250 0.059 0.000 0.442 39 S N -0.928 114.799 115.700 0.044 0.000 2.423 39 S HA -0.105 4.385 4.470 0.033 0.000 0.231 39 S C 1.662 176.294 174.600 0.053 0.000 1.014 39 S CA 2.689 60.908 58.200 0.033 0.000 0.965 39 S CB -0.497 62.706 63.200 0.005 0.000 0.785 39 S HN -0.308 8.020 8.310 0.030 0.000 0.495 40 S N 0.292 116.042 115.700 0.083 0.000 2.436 40 S HA -0.141 4.379 4.470 0.083 0.000 0.228 40 S C 1.312 176.045 174.600 0.222 0.000 1.014 40 S CA 1.619 59.903 58.200 0.139 0.000 0.950 40 S CB 0.679 63.972 63.200 0.154 0.000 0.784 40 S HN -0.489 7.731 8.310 0.083 0.140 0.504 41 G N 2.652 111.561 108.800 0.182 0.000 2.184 41 G HA2 -0.277 3.750 3.960 0.112 0.000 0.264 41 G HA3 -0.277 3.759 3.960 0.127 0.000 0.264 41 G C -0.254 174.733 174.900 0.146 0.000 0.975 41 G CA 0.471 45.658 45.100 0.145 0.000 0.642 41 G HN -0.485 7.857 8.290 0.157 0.042 0.536 42 G N -0.140 108.799 108.800 0.231 0.000 2.857 42 G HA2 0.482 4.398 3.960 -0.074 0.000 0.217 42 G HA3 0.482 4.303 3.960 -0.326 -0.056 0.217 42 G C -2.056 172.890 174.900 0.077 0.000 1.357 42 G CA -1.214 43.879 45.100 -0.013 0.000 1.033 42 G HN -0.449 8.004 8.290 0.393 0.073 0.571 43 R N -0.001 120.461 120.500 -0.064 0.000 2.476 43 R HA 0.289 4.957 4.340 0.250 -0.178 0.305 43 R C -2.092 174.469 176.300 0.435 0.000 0.965 43 R CA -0.838 55.369 56.100 0.179 0.000 0.867 43 R CB 3.201 33.538 30.300 0.062 0.000 1.176 43 R HN 0.173 8.194 8.270 -0.414 0.000 0.447 44 L N 7.767 129.343 121.223 0.588 0.000 2.329 44 L HA 0.848 5.710 4.340 0.589 -0.168 0.279 44 L C -1.392 175.772 176.870 0.490 0.000 1.014 44 L CA -1.803 53.380 54.840 0.572 0.000 0.814 44 L CB 3.509 45.845 42.059 0.461 0.000 1.257 44 L HN 0.286 9.201 8.230 0.542 -0.360 0.424 45 G N 5.673 114.493 108.800 0.032 0.000 2.590 45 G HA2 0.535 4.808 3.960 0.207 0.000 0.310 45 G HA3 0.535 4.112 3.960 -0.639 0.000 0.310 45 G C -2.455 172.436 174.900 -0.016 0.000 1.347 45 G CA -0.443 44.596 45.100 -0.102 0.000 0.963 45 G HN 0.678 8.894 8.290 -0.123 0.000 0.494 46 V N 4.136 124.126 119.914 0.126 0.000 2.709 46 V HA 0.990 5.371 4.120 0.067 -0.221 0.308 46 V C -2.191 173.966 176.094 0.105 0.000 1.062 46 V CA -2.426 59.938 62.300 0.107 0.000 0.901 46 V CB 4.180 36.075 31.823 0.120 0.000 1.003 46 V HN 0.585 8.888 8.190 0.188 0.000 0.425 47 A N 6.170 129.038 122.820 0.080 0.000 2.402 47 A HA 0.783 5.329 4.320 0.071 -0.183 0.291 47 A C -2.760 174.852 177.584 0.046 0.000 1.051 47 A CA -1.349 50.729 52.037 0.068 0.000 0.716 47 A CB 3.667 22.709 19.000 0.071 0.000 1.223 47 A HN 0.613 8.806 8.150 0.072 0.000 0.425 48 L N 4.763 126.008 121.223 0.037 0.000 2.329 48 L HA 1.053 5.596 4.340 0.010 -0.197 0.279 48 L C -2.058 174.817 176.870 0.009 0.000 1.014 48 L CA -1.849 53.002 54.840 0.018 0.000 0.814 48 L CB 3.984 46.056 42.059 0.022 0.000 1.257 48 L HN 0.451 8.707 8.230 0.044 0.000 0.424 49 I N 4.782 125.345 120.570 -0.011 0.000 2.418 49 I HA 0.481 4.822 4.170 -0.011 -0.178 0.287 49 I C -2.001 174.090 176.117 -0.042 0.000 1.008 49 I CA -1.136 60.152 61.300 -0.021 0.000 1.104 49 I CB 2.589 40.574 38.000 -0.024 0.000 1.264 49 I HN 0.764 8.963 8.210 -0.019 0.000 0.438 50 D N 7.137 127.515 120.400 -0.036 0.000 2.396 50 D HA 0.343 4.939 4.640 -0.073 0.000 0.225 50 D C 0.583 176.850 176.300 -0.056 0.000 1.121 50 D CA -1.330 52.638 54.000 -0.052 0.000 0.853 50 D CB 1.617 42.396 40.800 -0.035 0.000 1.043 50 D HN 0.236 8.592 8.370 -0.023 0.000 0.500 51 T N 2.103 116.610 114.554 -0.079 0.000 3.160 51 T HA -0.051 4.270 4.350 -0.048 0.000 0.257 51 T C 0.797 175.467 174.700 -0.050 0.000 1.147 51 T CA 0.949 63.011 62.100 -0.064 0.000 1.064 51 T CB -0.037 68.784 68.868 -0.079 0.000 0.949 51 T HN 0.139 8.316 8.240 -0.105 0.000 0.526 52 A N 1.305 124.092 122.820 -0.054 0.000 1.930 52 A HA -0.130 4.168 4.320 -0.037 0.000 0.217 52 A C 0.654 178.223 177.584 -0.025 0.000 1.175 52 A CA 2.270 54.283 52.037 -0.040 0.000 0.627 52 A CB 0.290 19.264 19.000 -0.043 0.000 0.815 52 A HN -0.013 8.371 8.150 -0.065 -0.273 0.443 53 D N -7.207 113.179 120.400 -0.023 0.000 2.516 53 D HA 0.031 4.664 4.640 -0.011 0.000 0.241 53 D C 0.085 176.378 176.300 -0.011 0.000 1.246 53 D CA -0.750 53.242 54.000 -0.014 0.000 0.808 53 D CB 1.480 42.274 40.800 -0.010 0.000 1.147 53 D HN -0.680 7.654 8.370 -0.027 0.020 0.527 54 N N -2.914 115.776 118.700 -0.015 0.000 2.828 54 N HA -0.382 4.394 4.740 -0.017 -0.046 0.248 54 N C -0.424 175.082 175.510 -0.008 0.000 1.044 54 N CA 1.748 54.791 53.050 -0.012 0.000 0.851 54 N CB -2.090 36.393 38.487 -0.007 0.000 1.136 54 N HN 0.203 8.570 8.380 -0.022 0.000 0.572 55 T N -2.783 111.767 114.554 -0.007 0.000 2.899 55 T HA -0.003 4.348 4.350 0.002 0.000 0.295 55 T C -1.034 173.667 174.700 0.002 0.000 1.033 55 T CA 0.507 62.607 62.100 0.000 0.000 1.084 55 T CB 1.439 70.309 68.868 0.003 0.000 0.979 55 T HN -0.233 8.226 8.240 -0.009 -0.225 0.532 56 Q N 1.502 121.307 119.800 0.010 0.000 2.377 56 Q HA 0.863 5.436 4.340 0.013 -0.226 0.271 56 Q C -0.513 175.503 176.000 0.026 0.000 1.077 56 Q CA -1.520 54.293 55.803 0.016 0.000 0.820 56 Q CB 4.081 32.830 28.738 0.018 0.000 1.347 56 Q HN 0.208 8.485 8.270 0.011 0.000 0.444 60 Y N 1.806 122.138 120.300 0.053 0.000 2.331 60 Y HA 0.202 4.789 4.550 0.062 0.000 0.326 60 Y C -1.084 174.878 175.900 0.104 0.000 1.020 60 Y CA 0.276 58.416 58.100 0.067 0.000 1.136 60 Y CB 3.073 41.570 38.460 0.061 0.000 1.157 60 Y HN 0.651 9.051 8.280 0.201 0.000 0.444 61 R N 3.037 123.286 120.500 -0.418 0.000 3.516 61 R HA -0.448 3.780 4.340 -0.188 0.000 0.271 61 R C -0.155 176.178 176.300 0.053 0.000 1.098 61 R CA 0.843 56.848 56.100 -0.159 0.000 0.732 61 R CB -1.741 28.536 30.300 -0.038 0.000 1.152 61 R HN 0.720 8.631 8.270 -0.598 0.000 0.455 62 G N -1.868 106.947 108.800 0.025 0.000 2.471 62 G HA2 -0.203 3.807 3.960 0.084 0.000 0.219 62 G HA3 -0.203 3.786 3.960 0.048 0.000 0.219 62 G C -0.277 174.658 174.900 0.058 0.000 1.125 62 G CA 1.337 46.473 45.100 0.060 0.000 0.775 62 G HN 0.281 8.561 8.290 -0.015 0.001 0.548 63 D N -2.957 117.462 120.400 0.032 0.000 2.440 63 D HA 0.228 4.882 4.640 0.023 0.000 0.216 63 D C -0.340 175.960 176.300 0.000 0.000 1.150 63 D CA -0.497 53.512 54.000 0.015 0.000 0.832 63 D CB 0.047 40.844 40.800 -0.005 0.000 0.992 63 D HN 0.063 8.403 8.370 0.014 0.039 0.502 64 E N 0.613 120.828 120.200 0.026 0.000 2.319 64 E HA 0.081 4.367 4.350 -0.107 0.000 0.268 64 E C -1.067 175.491 176.600 -0.070 0.000 1.050 64 E CA -0.381 55.979 56.400 -0.068 0.000 0.878 64 E CB 1.301 30.914 29.700 -0.146 0.000 1.066 64 E HN -0.701 7.543 8.360 0.078 0.163 0.406 65 R N -0.267 120.097 120.500 -0.228 0.000 2.410 65 R HA 0.434 4.915 4.340 -0.085 -0.192 0.288 65 R C -0.341 175.689 176.300 -0.451 0.000 1.051 65 R CA -0.137 55.837 56.100 -0.210 0.000 1.021 65 R CB 1.296 31.485 30.300 -0.185 0.000 1.032 65 R HN 0.326 8.445 8.270 -0.253 0.000 0.481 66 F N 1.792 121.606 119.950 -0.227 0.000 2.588 66 F HA 0.454 4.902 4.527 -0.131 0.000 0.310 66 F C -3.065 172.627 175.800 -0.180 0.000 1.082 66 F CA -2.398 55.483 58.000 -0.198 0.000 0.929 66 F CB 3.454 42.305 39.000 -0.248 0.000 1.254 66 F HN 0.412 8.707 8.300 -0.008 0.000 0.455 67 P HA 0.138 4.708 4.420 0.007 -0.145 0.271 67 P C -1.290 176.116 177.300 0.177 0.000 1.220 67 P CA -0.306 62.839 63.100 0.075 0.000 0.768 67 P CB 0.404 32.149 31.700 0.074 0.000 0.848 68 M N 1.031 120.709 119.600 0.129 0.000 2.288 68 M HA -0.096 4.692 4.480 0.514 0.000 0.266 68 M C 1.294 177.734 176.300 0.234 0.000 1.072 68 M CA 2.821 58.282 55.300 0.269 0.000 1.132 68 M CB 1.026 33.722 32.600 0.159 0.000 1.386 68 M HN -0.174 8.141 8.290 0.042 0.000 0.432 69 C N -3.359 116.028 119.300 0.144 0.000 0.168 69 C HA -0.459 4.175 4.460 0.093 -0.118 0.017 69 C C 2.091 177.149 174.990 0.113 0.000 0.171 69 C CA 1.674 60.760 59.018 0.114 0.000 0.499 69 C CB -2.060 25.746 27.740 0.109 0.000 3.212 69 C HN 0.291 8.590 8.230 0.115 0.000 1.118 70 S N 1.719 117.476 115.700 0.095 0.000 2.547 70 S HA -0.157 4.371 4.470 0.097 0.000 0.235 70 S C 2.184 176.844 174.600 0.101 0.000 0.980 70 S CA 3.081 61.336 58.200 0.092 0.000 0.941 70 S CB 0.117 63.363 63.200 0.076 0.000 0.763 70 S HN 0.504 8.864 8.310 0.084 0.000 0.532 71 T N -1.075 113.548 114.554 0.116 0.000 2.929 71 T HA -0.270 4.136 4.350 0.094 0.000 0.271 71 T C 1.577 176.397 174.700 0.200 0.000 1.085 71 T CA 3.211 65.390 62.100 0.132 0.000 1.125 71 T CB -0.324 68.615 68.868 0.117 0.000 0.874 71 T HN -0.349 7.912 8.240 0.119 0.050 0.494 72 S N 0.398 116.234 115.700 0.225 0.000 2.507 72 S HA -0.145 4.592 4.470 0.444 0.000 0.235 72 S C 1.491 176.231 174.600 0.233 0.000 0.988 72 S CA 2.454 60.839 58.200 0.309 0.000 0.944 72 S CB -1.174 62.184 63.200 0.264 0.000 0.762 72 S HN -0.350 8.044 8.310 0.195 0.032 0.526 73 K N 2.152 122.641 120.400 0.149 0.000 2.209 73 K HA -0.214 4.159 4.320 0.089 0.000 0.204 73 K C 1.814 178.464 176.600 0.084 0.000 1.048 73 K CA 2.893 59.237 56.287 0.094 0.000 0.940 73 K CB -0.342 32.194 32.500 0.059 0.000 0.729 73 K HN -0.505 7.667 8.250 0.139 0.161 0.451 74 V N 0.077 120.057 119.914 0.110 0.000 2.295 74 V HA -0.429 3.749 4.120 0.097 0.000 0.246 74 V C 1.901 178.053 176.094 0.096 0.000 1.049 74 V CA 4.049 66.412 62.300 0.106 0.000 1.024 74 V CB -0.639 31.254 31.823 0.118 0.000 0.648 74 V HN -0.671 7.576 8.190 0.127 0.020 0.447 75 M N -0.099 119.561 119.600 0.100 0.000 2.080 75 M HA -0.413 4.110 4.480 0.072 0.000 0.260 75 M C 1.627 177.935 176.300 0.014 0.000 1.068 75 M CA 3.089 58.411 55.300 0.036 0.000 1.109 75 M CB -0.553 31.918 32.600 -0.216 0.000 1.342 75 M HN -0.672 7.705 8.290 0.144 0.000 0.405 76 A N -2.039 120.807 122.820 0.044 0.000 1.873 76 A HA -0.392 3.916 4.320 -0.020 0.000 0.215 76 A C 1.443 178.986 177.584 -0.070 0.000 1.186 76 A CA 3.062 55.097 52.037 -0.003 0.000 0.616 76 A CB -0.820 18.205 19.000 0.042 0.000 0.823 76 A HN -0.585 7.621 8.150 0.094 0.000 0.442 77 A N -1.686 121.114 122.820 -0.033 0.000 1.902 77 A HA -0.317 3.971 4.320 -0.053 0.000 0.217 77 A C 1.560 179.133 177.584 -0.019 0.000 1.181 77 A CA 2.776 54.798 52.037 -0.026 0.000 0.623 77 A CB -0.470 18.524 19.000 -0.010 0.000 0.818 77 A HN -0.112 8.037 8.150 -0.003 0.000 0.443 78 A N -1.946 120.845 122.820 -0.047 0.000 1.933 78 A HA -0.417 3.899 4.320 -0.007 0.000 0.218 78 A C 1.361 178.592 177.584 -0.588 0.000 1.175 78 A CA 2.904 54.872 52.037 -0.116 0.000 0.628 78 A CB -0.503 18.543 19.000 0.077 0.000 0.814 78 A HN -0.171 7.973 8.150 -0.010 0.000 0.444 79 A N -1.280 120.997 122.820 -0.905 0.000 1.933 79 A HA -0.244 2.656 4.320 -2.367 0.000 0.218 79 A C 2.131 179.398 177.584 -0.529 0.000 1.175 79 A CA 3.073 54.345 52.037 -1.275 0.000 0.628 79 A CB -0.796 17.741 19.000 -0.772 0.000 0.814 79 A HN -0.282 7.432 8.150 -0.590 0.082 0.444 80 V N -0.543 119.204 119.914 -0.278 0.000 2.358 80 V HA -0.330 3.873 4.120 -0.116 -0.153 0.246 80 V C 2.276 178.323 176.094 -0.078 0.000 1.047 80 V CA 3.658 65.884 62.300 -0.124 0.000 1.035 80 V CB -0.720 31.066 31.823 -0.061 0.000 0.658 80 V HN -0.518 7.517 8.190 -0.258 0.000 0.452 81 L N -0.714 120.476 121.223 -0.055 0.000 2.042 81 L HA -0.392 3.968 4.340 0.033 0.000 0.210 81 L C 3.004 179.850 176.870 -0.041 0.000 1.076 81 L CA 3.315 58.151 54.840 -0.006 0.000 0.749 81 L CB -0.764 41.315 42.059 0.033 0.000 0.893 81 L HN 0.063 8.255 8.230 -0.063 0.000 0.432 82 K N -0.256 120.076 120.400 -0.112 0.000 2.026 82 K HA -0.274 4.234 4.320 0.024 -0.174 0.208 82 K C 2.924 179.513 176.600 -0.018 0.000 1.048 82 K CA 2.233 58.500 56.287 -0.035 0.000 0.929 82 K CB -0.583 31.915 32.500 -0.004 0.000 0.713 82 K HN -0.075 8.039 8.250 -0.226 0.000 0.439 83 Q N -1.260 118.507 119.800 -0.054 0.000 2.135 83 Q HA -0.354 3.984 4.340 -0.003 0.000 0.204 83 Q C 2.398 178.395 176.000 -0.005 0.000 0.981 83 Q CA 3.308 59.099 55.803 -0.021 0.000 0.856 83 Q CB -0.098 28.622 28.738 -0.031 0.000 0.902 83 Q HN -0.228 7.976 8.270 -0.110 0.000 0.425 84 S N -1.893 113.804 115.700 -0.006 0.000 2.507 84 S HA -0.229 4.350 4.470 0.007 -0.105 0.235 84 S C 0.892 175.496 174.600 0.007 0.000 0.988 84 S CA 2.910 61.113 58.200 0.005 0.000 0.944 84 S CB -0.452 62.757 63.200 0.014 0.000 0.762 84 S HN -0.256 7.932 8.310 -0.015 0.113 0.526 85 E N 0.861 121.067 120.200 0.010 0.000 2.204 85 E HA -0.214 4.142 4.350 0.010 0.000 0.195 85 E C 1.523 178.132 176.600 0.015 0.000 0.990 85 E CA 2.014 58.422 56.400 0.014 0.000 0.821 85 E CB 0.033 29.749 29.700 0.026 0.000 0.750 85 E HN -0.595 7.609 8.360 0.009 0.161 0.477 86 T N -6.878 107.685 114.554 0.015 0.000 3.054 86 T HA 0.085 4.443 4.350 0.013 0.000 0.255 86 T C -0.408 174.298 174.700 0.010 0.000 1.035 86 T CA -0.514 61.594 62.100 0.014 0.000 0.941 86 T CB 0.862 69.741 68.868 0.017 0.000 1.026 86 T HN -0.623 7.593 8.240 0.014 0.032 0.533 87 Q N 1.941 121.747 119.800 0.009 0.000 2.695 87 Q HA 0.225 4.570 4.340 0.008 0.000 0.246 87 Q C -0.142 175.863 176.000 0.007 0.000 0.961 87 Q CA -0.720 55.088 55.803 0.008 0.000 0.708 87 Q CB 1.566 30.308 28.738 0.007 0.000 1.282 87 Q HN -0.766 7.383 8.270 0.009 0.126 0.482 88 K N 4.518 124.922 120.400 0.006 0.000 2.211 88 K HA -0.313 4.009 4.320 0.004 0.000 0.204 88 K C 0.478 177.082 176.600 0.007 0.000 1.047 88 K CA 2.680 58.970 56.287 0.005 0.000 0.935 88 K CB 0.091 32.593 32.500 0.003 0.000 0.728 88 K HN 0.544 8.798 8.250 0.006 0.000 0.452 89 Q N -4.017 115.788 119.800 0.008 0.000 2.319 89 Q HA 0.040 4.386 4.340 0.010 0.000 0.202 89 Q C 1.238 177.245 176.000 0.012 0.000 0.896 89 Q CA -0.319 55.490 55.803 0.009 0.000 0.942 89 Q CB -0.122 28.620 28.738 0.007 0.000 1.083 89 Q HN 0.029 8.266 8.270 0.007 0.037 0.510 90 L N 2.644 123.874 121.223 0.013 0.000 2.042 90 L HA -0.261 4.085 4.340 0.009 0.000 0.210 90 L C 1.493 178.375 176.870 0.021 0.000 1.076 90 L CA 2.901 57.748 54.840 0.013 0.000 0.749 90 L CB -0.082 41.984 42.059 0.011 0.000 0.893 90 L HN -0.378 7.691 8.230 0.012 0.168 0.432 91 L N -4.741 116.502 121.223 0.034 0.000 2.362 91 L HA -0.316 4.059 4.340 0.058 0.000 0.219 91 L C 1.063 177.959 176.870 0.043 0.000 1.134 91 L CA 2.345 57.219 54.840 0.056 0.000 0.807 91 L CB -1.079 41.035 42.059 0.091 0.000 0.927 91 L HN 0.304 8.553 8.230 0.032 0.000 0.447 92 N N -3.043 115.673 118.700 0.028 0.000 2.336 92 N HA -0.004 4.749 4.740 0.022 0.000 0.189 92 N C -0.624 174.890 175.510 0.008 0.000 1.113 92 N CA -0.303 52.758 53.050 0.019 0.000 0.858 92 N CB 0.007 38.504 38.487 0.016 0.000 0.970 92 N HN -0.558 7.701 8.380 0.025 0.136 0.471 93 Q N 2.384 122.188 119.800 0.006 0.000 2.274 93 Q HA 0.059 4.399 4.340 -0.000 0.000 0.280 93 Q C -1.829 174.165 176.000 -0.010 0.000 1.047 93 Q CA -1.148 54.654 55.803 -0.001 0.000 0.907 93 Q CB 0.849 29.587 28.738 -0.000 0.000 1.171 93 Q HN -0.538 7.552 8.270 0.010 0.186 0.381 94 P HA -0.005 4.528 4.420 -0.029 -0.130 0.278 94 P C -1.450 175.837 177.300 -0.021 0.000 1.238 94 P CA -0.812 62.276 63.100 -0.020 0.000 0.794 94 P CB 0.994 32.686 31.700 -0.012 0.000 0.955 95 V N 2.734 122.629 119.914 -0.031 0.000 2.531 95 V HA 0.211 4.320 4.120 -0.019 0.000 0.301 95 V C -0.990 175.089 176.094 -0.026 0.000 1.034 95 V CA -2.021 60.263 62.300 -0.027 0.000 0.865 95 V CB 3.138 34.941 31.823 -0.035 0.000 0.995 95 V HN 0.434 8.599 8.190 -0.042 0.000 0.424 96 E N 6.439 126.631 120.200 -0.014 0.000 2.360 96 E HA 0.164 4.686 4.350 -0.005 -0.175 0.269 96 E C -0.547 176.048 176.600 -0.008 0.000 1.022 96 E CA 0.485 56.880 56.400 -0.008 0.000 0.887 96 E CB 0.711 30.409 29.700 -0.003 0.000 0.990 96 E HN 0.271 8.624 8.360 -0.012 0.000 0.426 97 I N 6.222 126.792 120.570 -0.001 0.000 2.328 97 I HA 0.175 4.483 4.170 -0.003 -0.140 0.287 97 I C -1.021 175.100 176.117 0.007 0.000 1.012 97 I CA -3.269 58.033 61.300 0.003 0.000 1.195 97 I CB -0.874 37.136 38.000 0.016 0.000 1.350 97 I HN 1.002 9.215 8.210 0.005 0.000 0.464 98 K N 6.986 127.388 120.400 0.003 0.000 2.123 98 K HA 0.620 4.941 4.320 0.003 0.000 0.248 98 K C -0.685 175.915 176.600 0.000 0.000 0.969 98 K CA -3.810 52.478 56.287 0.002 0.000 0.882 98 K CB -0.690 31.811 32.500 0.001 0.000 1.080 98 K HN 0.105 8.692 8.250 0.000 -0.336 0.441 99 P HA -0.205 4.212 4.420 -0.005 0.000 0.216 99 P C 1.108 178.407 177.300 -0.001 0.000 1.153 99 P CA 2.914 66.012 63.100 -0.003 0.000 0.858 99 P CB 0.104 31.802 31.700 -0.003 0.000 0.789 100 A N -6.210 116.610 122.820 0.000 0.000 2.125 100 A HA -0.179 4.143 4.320 0.003 0.000 0.219 100 A C 0.876 178.462 177.584 0.003 0.000 1.156 100 A CA 1.990 54.028 52.037 0.002 0.000 0.671 100 A CB -0.895 18.107 19.000 0.003 0.000 0.794 100 A HN -0.085 8.066 8.150 0.000 0.000 0.459 101 D N -3.550 116.851 120.400 0.001 0.000 2.333 101 D HA 0.066 4.707 4.640 0.003 0.000 0.208 101 D C -0.275 176.025 176.300 -0.000 0.000 0.984 101 D CA 0.837 54.837 54.000 0.001 0.000 0.873 101 D CB 0.503 41.302 40.800 -0.002 0.000 0.935 101 D HN -0.360 7.823 8.370 -0.000 0.187 0.521 102 L N -1.331 119.890 121.223 -0.002 0.000 2.453 102 L HA -0.139 4.194 4.340 -0.010 0.000 0.272 102 L C 0.439 177.312 176.870 0.005 0.000 1.182 102 L CA 0.875 55.712 54.840 -0.005 0.000 0.858 102 L CB 0.119 42.171 42.059 -0.011 0.000 1.120 102 L HN -0.719 7.473 8.230 -0.002 0.037 0.474 103 V N 0.376 120.297 119.914 0.011 0.000 6.168 103 V HA 0.176 4.311 4.120 0.025 0.000 0.275 103 V C -0.707 175.412 176.094 0.041 0.000 1.598 103 V CA -2.557 59.760 62.300 0.028 0.000 0.646 103 V CB 1.345 33.189 31.823 0.035 0.000 1.463 103 V HN 0.219 8.851 8.190 0.004 -0.439 0.394 104 N N -0.543 118.200 118.700 0.071 0.000 2.392 104 N HA -0.153 4.633 4.740 0.076 0.000 0.177 104 N C -1.278 174.339 175.510 0.177 0.000 1.066 104 N CA 1.172 54.281 53.050 0.099 0.000 0.895 104 N CB 0.507 39.049 38.487 0.093 0.000 0.988 104 N HN -0.064 8.362 8.380 0.076 0.000 0.457 105 Y N 0.031 120.342 120.300 0.019 0.000 2.317 105 Y HA 0.078 4.640 4.550 0.020 0.000 0.329 105 Y C -2.514 173.400 175.900 0.022 0.000 1.101 105 Y CA -0.788 57.326 58.100 0.023 0.000 1.228 105 Y CB 1.371 39.849 38.460 0.029 0.000 1.123 105 Y HN -0.738 7.637 8.280 0.158 0.000 0.457 106 N N 4.462 122.866 118.700 -0.493 0.000 2.666 106 N HA 0.339 5.058 4.740 -0.341 -0.184 0.253 106 N C -2.066 173.231 175.510 -0.355 0.000 1.621 106 N CA -1.991 50.857 53.050 -0.338 0.000 0.785 106 N CB 0.472 38.879 38.487 -0.135 0.000 1.332 106 N HN 0.247 8.335 8.380 -0.487 0.000 0.514 107 P HA -0.010 4.236 4.420 -0.289 0.000 0.220 107 P C -0.185 176.967 177.300 -0.247 0.000 1.148 107 P CA 2.240 65.129 63.100 -0.353 0.000 0.803 107 P CB 0.283 31.773 31.700 -0.349 0.000 0.782 108 I N -3.025 117.407 120.570 -0.231 0.000 2.556 108 I HA -0.022 4.046 4.170 -0.169 0.000 0.251 108 I C 1.998 178.120 176.117 0.008 0.000 1.105 108 I CA 0.216 61.427 61.300 -0.148 0.000 1.436 108 I CB -0.708 37.178 38.000 -0.189 0.000 1.139 108 I HN -0.257 7.997 8.210 -0.243 -0.190 0.438 109 A N 0.567 123.372 122.820 -0.026 0.000 1.972 109 A HA -0.208 4.172 4.320 0.100 0.000 0.219 109 A C 0.975 178.575 177.584 0.027 0.000 1.169 109 A CA 2.663 54.718 52.037 0.031 0.000 0.635 109 A CB -0.165 18.819 19.000 -0.027 0.000 0.810 109 A HN -0.098 8.355 8.150 -0.084 -0.352 0.446 110 E N -3.818 116.356 120.200 -0.045 0.000 2.204 110 E HA -0.284 4.042 4.350 -0.039 0.000 0.195 110 E C 2.662 179.215 176.600 -0.078 0.000 0.990 110 E CA 2.368 58.734 56.400 -0.056 0.000 0.821 110 E CB -0.486 29.168 29.700 -0.077 0.000 0.750 110 E HN -0.409 7.885 8.360 -0.079 0.019 0.477 111 K N -0.170 120.154 120.400 -0.127 0.000 2.365 111 K HA -0.163 4.027 4.320 -0.216 0.000 0.199 111 K C 1.757 178.106 176.600 -0.419 0.000 1.045 111 K CA 1.547 57.664 56.287 -0.283 0.000 0.962 111 K CB -0.221 32.043 32.500 -0.393 0.000 0.759 111 K HN -0.261 7.903 8.250 -0.097 0.028 0.469 112 H N -1.882 117.153 119.070 -0.059 0.000 2.592 112 H HA 0.245 4.776 4.556 -0.041 0.000 0.279 112 H C -1.382 173.922 175.328 -0.039 0.000 1.089 112 H CA -1.086 54.934 56.048 -0.047 0.000 1.150 112 H CB 0.673 30.405 29.762 -0.050 0.000 1.575 112 H HN -0.278 nan 8.280 nan 0.000 0.547 113 V N -1.367 118.566 119.914 0.032 0.000 2.763 113 V HA -0.296 4.123 4.120 0.026 -0.283 0.306 113 V C 0.301 176.401 176.094 0.010 0.000 1.059 113 V CA 0.720 63.030 62.300 0.016 0.000 1.138 113 V CB -0.028 31.793 31.823 -0.004 0.000 0.940 113 V HN -0.685 7.505 8.190 -0.000 0.000 0.489 114 N N 0.803 119.510 118.700 0.011 0.000 2.878 114 N HA -0.314 4.430 4.740 0.007 0.000 0.247 114 N C -1.269 174.251 175.510 0.015 0.000 1.021 114 N CA 1.907 54.962 53.050 0.008 0.000 0.873 114 N CB -1.178 37.308 38.487 -0.000 0.000 1.128 114 N HN 0.502 8.890 8.380 0.012 0.000 0.571 115 G N -2.182 106.637 108.800 0.032 0.000 3.257 115 G HA2 0.372 4.350 3.960 0.030 0.000 0.205 115 G HA3 0.372 4.371 3.960 0.065 0.000 0.205 115 G C -2.615 172.309 174.900 0.039 0.000 1.234 115 G CA -0.921 44.206 45.100 0.044 0.000 0.918 115 G HN -0.021 8.209 8.290 0.040 0.083 0.602 116 T N -3.910 110.668 114.554 0.041 0.000 2.896 116 T HA 0.940 5.608 4.350 -0.015 -0.327 0.297 116 T C -1.470 173.184 174.700 -0.077 0.000 1.108 116 T CA -1.912 60.183 62.100 -0.009 0.000 1.004 116 T CB 3.186 72.047 68.868 -0.012 0.000 1.159 116 T HN -0.022 8.259 8.240 0.067 0.000 0.499 117 M N 1.542 121.061 119.600 -0.136 0.000 2.530 117 M HA 0.492 4.947 4.480 -0.278 -0.142 0.307 117 M C -0.344 175.882 176.300 -0.123 0.000 1.161 117 M CA -1.053 54.110 55.300 -0.228 0.000 0.903 117 M CB 5.247 37.655 32.600 -0.320 0.000 1.711 117 M HN 0.639 8.871 8.290 -0.097 0.000 0.451 118 T N -1.736 112.758 114.554 -0.101 0.000 2.828 118 T HA 0.376 5.152 4.350 -0.041 -0.451 0.290 118 T C 1.574 176.244 174.700 -0.051 0.000 1.019 118 T CA -1.620 60.450 62.100 -0.051 0.000 1.031 118 T CB 1.888 70.745 68.868 -0.019 0.000 1.001 118 T HN 0.352 8.842 8.240 -0.117 -0.320 0.531 119 L N 0.878 122.087 121.223 -0.023 0.000 2.131 119 L HA -0.347 3.965 4.340 -0.047 0.000 0.210 119 L C 1.914 178.780 176.870 -0.007 0.000 1.092 119 L CA 3.438 58.265 54.840 -0.022 0.000 0.759 119 L CB -0.781 41.276 42.059 -0.003 0.000 0.903 119 L HN 0.118 8.340 8.230 -0.013 0.000 0.435 120 A N -0.892 121.963 122.820 0.058 0.000 1.877 120 A HA -0.396 4.075 4.320 0.251 0.000 0.216 120 A C 1.985 179.577 177.584 0.014 0.000 1.186 120 A CA 3.345 55.475 52.037 0.155 0.000 0.620 120 A CB -1.064 18.076 19.000 0.234 0.000 0.822 120 A HN 0.071 8.256 8.150 0.057 0.000 0.443 121 E N -1.038 119.147 120.200 -0.025 0.000 2.110 121 E HA -0.370 3.951 4.350 -0.048 0.000 0.193 121 E C 2.692 179.198 176.600 -0.157 0.000 0.988 121 E CA 2.940 59.289 56.400 -0.085 0.000 0.804 121 E CB -0.142 29.481 29.700 -0.129 0.000 0.745 121 E HN -0.592 7.760 8.360 -0.013 0.000 0.458 122 L N -1.317 119.812 121.223 -0.157 0.000 2.056 122 L HA -0.314 3.934 4.340 -0.154 0.000 0.207 122 L C 2.251 178.979 176.870 -0.236 0.000 1.078 122 L CA 3.465 58.206 54.840 -0.164 0.000 0.749 122 L CB -0.262 41.724 42.059 -0.122 0.000 0.901 122 L HN 0.138 8.280 8.230 -0.129 0.010 0.433 123 S N -0.119 115.376 115.700 -0.342 0.000 2.356 123 S HA -0.365 3.841 4.470 -0.440 0.000 0.223 123 S C 2.098 176.176 174.600 -0.870 0.000 1.032 123 S CA 3.783 61.607 58.200 -0.625 0.000 1.005 123 S CB -0.742 61.922 63.200 -0.892 0.000 0.867 123 S HN -0.152 7.992 8.310 -0.276 0.000 0.449 124 A N 0.334 122.619 122.820 -0.892 0.000 1.902 124 A HA -0.249 3.398 4.320 -1.121 0.000 0.217 124 A C 1.537 178.976 177.584 -0.241 0.000 1.181 124 A CA 2.983 54.596 52.037 -0.707 0.000 0.623 124 A CB -0.769 18.067 19.000 -0.274 0.000 0.818 124 A HN -0.025 7.703 8.150 -0.704 0.000 0.443 125 A N -1.753 120.984 122.820 -0.138 0.000 1.877 125 A HA -0.381 4.046 4.320 0.178 0.000 0.216 125 A C 1.794 179.392 177.584 0.022 0.000 1.186 125 A CA 2.854 54.898 52.037 0.012 0.000 0.620 125 A CB -0.529 18.432 19.000 -0.064 0.000 0.822 125 A HN -0.250 7.784 8.150 -0.193 0.000 0.443 126 A N -0.726 122.045 122.820 -0.083 0.000 1.883 126 A HA -0.254 4.282 4.320 0.004 -0.214 0.217 126 A C 1.934 179.498 177.584 -0.033 0.000 1.186 126 A CA 2.773 54.782 52.037 -0.046 0.000 0.624 126 A CB -0.395 18.555 19.000 -0.084 0.000 0.822 126 A HN -0.223 7.840 8.150 -0.146 0.000 0.444 127 L N -4.542 116.610 121.223 -0.118 0.000 2.072 127 L HA -0.397 3.926 4.340 -0.028 0.000 0.205 127 L C 2.300 179.143 176.870 -0.045 0.000 1.079 127 L CA 2.565 57.360 54.840 -0.074 0.000 0.752 127 L CB 0.163 42.156 42.059 -0.110 0.000 0.906 127 L HN -0.312 7.787 8.230 -0.218 0.000 0.436 128 Q N -5.278 114.481 119.800 -0.070 0.000 2.376 128 Q HA -0.079 4.294 4.340 -0.145 -0.121 0.206 128 Q C 1.908 177.682 176.000 -0.376 0.000 0.921 128 Q CA 2.069 57.764 55.803 -0.181 0.000 0.911 128 Q CB 1.369 29.991 28.738 -0.192 0.000 1.032 128 Q HN -0.116 8.114 8.270 -0.066 0.000 0.510 129 Y N -3.146 117.167 120.300 0.022 0.000 2.453 129 Y HA 0.342 4.946 4.550 0.091 0.000 0.247 129 Y C -0.381 175.606 175.900 0.145 0.000 1.124 129 Y CA -1.112 57.031 58.100 0.071 0.000 1.243 129 Y CB 1.866 40.345 38.460 0.031 0.000 1.213 129 Y HN -0.681 7.686 8.280 0.145 0.000 0.523 130 S N -1.060 114.758 115.700 0.197 0.000 3.698 130 S HA -0.413 4.306 4.470 0.131 -0.171 0.338 130 S C -1.288 173.471 174.600 0.265 0.000 1.089 130 S CA 0.516 58.837 58.200 0.201 0.000 0.991 130 S CB -1.003 62.305 63.200 0.180 0.000 0.909 130 S HN -0.489 7.899 8.310 0.129 0.000 0.485 131 D N -0.424 120.067 120.400 0.151 0.000 2.371 131 D HA -0.049 4.584 4.640 -0.011 0.000 0.256 131 D C 0.642 176.972 176.300 0.051 0.000 1.193 131 D CA 0.506 54.531 54.000 0.041 0.000 0.881 131 D CB 1.020 41.800 40.800 -0.033 0.000 1.143 131 D HN -0.820 7.616 8.370 0.134 0.014 0.473 132 N N 7.819 126.563 118.700 0.073 0.000 2.300 132 N HA -0.117 4.670 4.740 0.077 0.000 0.179 132 N C 2.086 177.613 175.510 0.029 0.000 1.016 132 N CA 2.148 55.241 53.050 0.072 0.000 0.876 132 N CB 0.247 38.800 38.487 0.109 0.000 0.979 132 N HN 0.561 8.986 8.380 0.075 0.000 0.432 133 T N 3.730 118.285 114.554 0.001 0.000 2.746 133 T HA -0.367 3.983 4.350 -0.000 0.000 0.267 133 T C 1.083 175.772 174.700 -0.019 0.000 1.039 133 T CA 4.736 66.830 62.100 -0.010 0.000 1.142 133 T CB -0.051 68.803 68.868 -0.024 0.000 0.866 133 T HN -0.559 7.762 8.240 -0.012 -0.088 0.444 134 A N 1.407 124.208 122.820 -0.032 0.000 1.883 134 A HA -0.368 3.917 4.320 -0.058 0.000 0.217 134 A C 1.546 179.108 177.584 -0.036 0.000 1.186 134 A CA 3.263 55.270 52.037 -0.049 0.000 0.624 134 A CB -0.686 18.274 19.000 -0.067 0.000 0.822 134 A HN -0.094 8.369 8.150 -0.034 -0.334 0.444 135 M N -0.690 118.903 119.600 -0.011 0.000 2.080 135 M HA -0.424 4.052 4.480 -0.007 0.000 0.260 135 M C 1.441 177.746 176.300 0.009 0.000 1.068 135 M CA 2.471 57.773 55.300 0.005 0.000 1.109 135 M CB -0.345 32.275 32.600 0.033 0.000 1.342 135 M HN -0.506 7.783 8.290 -0.002 0.000 0.405 136 N N -0.715 117.992 118.700 0.011 0.000 2.149 136 N HA -0.337 4.415 4.740 0.020 0.000 0.188 136 N C 2.426 177.938 175.510 0.002 0.000 1.019 136 N CA 3.080 56.138 53.050 0.012 0.000 0.857 136 N CB -0.687 37.808 38.487 0.013 0.000 0.997 136 N HN -0.345 8.041 8.380 0.011 0.000 0.426 137 K N 0.156 120.549 120.400 -0.011 0.000 2.097 137 K HA -0.188 4.124 4.320 -0.012 0.000 0.205 137 K C 2.359 178.947 176.600 -0.020 0.000 1.050 137 K CA 2.029 58.305 56.287 -0.018 0.000 0.938 137 K CB -0.509 31.972 32.500 -0.033 0.000 0.718 137 K HN -0.488 7.744 8.250 -0.015 0.009 0.442 138 L N -0.682 120.526 121.223 -0.025 0.000 2.017 138 L HA -0.379 3.941 4.340 -0.033 0.000 0.208 138 L C 2.282 179.148 176.870 -0.007 0.000 1.073 138 L CA 3.139 57.964 54.840 -0.026 0.000 0.745 138 L CB -0.449 41.589 42.059 -0.035 0.000 0.894 138 L HN -0.506 7.708 8.230 -0.027 0.000 0.432 139 I N -1.935 118.641 120.570 0.011 0.000 2.163 139 I HA -0.553 3.639 4.170 0.036 0.000 0.243 139 I C 1.945 178.074 176.117 0.020 0.000 1.085 139 I CA 4.032 65.349 61.300 0.028 0.000 1.347 139 I CB -0.400 37.624 38.000 0.040 0.000 1.044 139 I HN -0.018 8.198 8.210 0.011 0.000 0.408 140 A N -1.671 121.156 122.820 0.012 0.000 1.902 140 A HA -0.323 4.006 4.320 0.014 0.000 0.217 140 A C 2.375 179.962 177.584 0.006 0.000 1.181 140 A CA 3.100 55.143 52.037 0.010 0.000 0.623 140 A CB -1.020 17.983 19.000 0.005 0.000 0.818 140 A HN -0.116 8.039 8.150 0.009 0.000 0.443 141 Q N -0.171 119.628 119.800 -0.002 0.000 2.181 141 Q HA -0.240 4.098 4.340 -0.004 0.000 0.205 141 Q C 1.239 177.238 176.000 -0.002 0.000 0.980 141 Q CA 2.214 58.014 55.803 -0.006 0.000 0.862 141 Q CB -0.194 28.535 28.738 -0.015 0.000 0.905 141 Q HN -0.233 8.034 8.270 -0.005 0.000 0.429 142 L N -4.123 117.102 121.223 0.002 0.000 2.592 142 L HA 0.192 4.535 4.340 0.005 0.000 0.227 142 L C 0.094 176.980 176.870 0.026 0.000 1.127 142 L CA -0.455 54.392 54.840 0.011 0.000 0.884 142 L CB 0.243 42.309 42.059 0.012 0.000 1.065 142 L HN -0.773 7.321 8.230 0.003 0.138 0.457 143 G N -3.153 105.661 108.800 0.023 0.000 2.132 143 G HA2 -0.345 3.628 3.960 0.021 0.000 0.234 143 G HA3 -0.345 3.632 3.960 0.028 0.000 0.234 143 G C -0.001 174.918 174.900 0.032 0.000 0.989 143 G CA -0.218 44.898 45.100 0.026 0.000 0.676 143 G HN -0.257 7.854 8.290 0.018 0.189 0.522 144 G N -0.408 108.414 108.800 0.036 0.000 2.462 144 G HA2 -0.162 3.819 3.960 0.036 0.000 0.685 144 G HA3 -0.162 3.820 3.960 0.037 0.000 0.685 144 G C -2.280 172.655 174.900 0.058 0.000 1.295 144 G CA -0.493 44.631 45.100 0.040 0.000 0.941 144 G HN -0.517 7.793 8.290 0.034 0.000 0.554 145 P HA -0.173 4.306 4.420 0.098 0.000 0.216 145 P C 1.085 178.451 177.300 0.108 0.000 1.153 145 P CA 2.289 65.439 63.100 0.083 0.000 0.858 145 P CB 0.271 32.005 31.700 0.058 0.000 0.789 146 G N -4.102 104.748 108.800 0.085 0.000 2.448 146 G HA2 -0.276 3.747 3.960 0.104 0.000 0.219 146 G HA3 -0.276 3.728 3.960 0.072 0.000 0.219 146 G C 1.339 176.303 174.900 0.107 0.000 1.127 146 G CA 1.117 46.273 45.100 0.092 0.000 0.766 146 G HN 0.296 8.613 8.290 0.066 0.013 0.552 147 G N 0.636 109.493 108.800 0.096 0.000 2.422 147 G HA2 -0.178 3.839 3.960 0.094 0.000 0.218 147 G HA3 -0.178 4.059 3.960 0.078 -0.230 0.218 147 G C 1.061 176.042 174.900 0.135 0.000 1.140 147 G CA 1.374 46.532 45.100 0.098 0.000 0.775 147 G HN -0.251 7.961 8.290 0.083 0.128 0.545 148 V N 3.027 123.037 119.914 0.160 0.000 2.307 148 V HA -0.536 3.683 4.120 0.165 0.000 0.245 148 V C 1.620 177.868 176.094 0.257 0.000 1.045 148 V CA 3.797 66.223 62.300 0.210 0.000 1.024 148 V CB -0.129 31.855 31.823 0.267 0.000 0.651 148 V HN -0.684 7.504 8.190 0.150 0.092 0.449 149 T N 1.902 116.655 114.554 0.332 0.000 2.720 149 T HA -0.455 4.205 4.350 0.516 0.000 0.268 149 T C 1.588 176.392 174.700 0.173 0.000 1.037 149 T CA 5.081 67.384 62.100 0.338 0.000 1.144 149 T CB -0.344 68.682 68.868 0.263 0.000 0.864 149 T HN -0.628 7.793 8.240 0.301 0.000 0.444 150 A N 1.443 124.349 122.820 0.144 0.000 1.902 150 A HA -0.359 4.008 4.320 0.077 0.000 0.217 150 A C 0.962 178.604 177.584 0.098 0.000 1.181 150 A CA 3.157 55.256 52.037 0.103 0.000 0.623 150 A CB -0.738 18.321 19.000 0.099 0.000 0.818 150 A HN 0.003 8.245 8.150 0.153 0.000 0.443 151 F N -0.067 119.877 119.950 -0.010 0.000 2.134 151 F HA -0.468 4.044 4.527 -0.024 0.000 0.299 151 F C 0.921 176.672 175.800 -0.081 0.000 1.097 151 F CA 2.334 60.308 58.000 -0.042 0.000 1.264 151 F CB 0.048 39.016 39.000 -0.054 0.000 1.001 151 F HN -0.698 7.760 8.300 0.264 0.000 0.479 152 A N -0.576 122.095 122.820 -0.249 0.000 1.892 152 A HA -0.411 3.585 4.320 -0.540 0.000 0.218 152 A C 2.277 179.705 177.584 -0.259 0.000 1.188 152 A CA 2.982 54.795 52.037 -0.374 0.000 0.631 152 A CB -0.656 18.142 19.000 -0.336 0.000 0.822 152 A HN -0.238 7.879 8.150 -0.056 0.000 0.447 153 R N -1.992 118.437 120.500 -0.118 0.000 2.096 153 R HA -0.195 4.263 4.340 -0.060 -0.154 0.235 153 R C 3.060 179.287 176.300 -0.121 0.000 1.127 153 R CA 1.844 57.899 56.100 -0.075 0.000 0.968 153 R CB -0.598 29.693 30.300 -0.014 0.000 0.861 153 R HN -0.145 8.088 8.270 -0.062 0.000 0.440 154 A N -2.561 120.161 122.820 -0.163 0.000 2.019 154 A HA -0.170 4.096 4.320 -0.089 0.000 0.219 154 A C 0.996 178.450 177.584 -0.217 0.000 1.164 154 A CA 2.067 54.012 52.037 -0.154 0.000 0.644 154 A CB -0.181 18.755 19.000 -0.108 0.000 0.805 154 A HN -0.389 7.582 8.150 -0.163 0.081 0.449 155 I N -9.136 111.220 120.570 -0.356 0.000 3.904 155 I HA 0.182 4.221 4.170 -0.217 0.000 0.333 155 I C 0.017 176.022 176.117 -0.187 0.000 1.361 155 I CA -1.355 59.762 61.300 -0.305 0.000 1.116 155 I CB -0.292 37.421 38.000 -0.479 0.000 1.028 155 I HN -0.856 6.949 8.210 -0.446 0.137 0.398 156 G N -0.635 108.080 108.800 -0.142 0.000 2.157 156 G HA2 -0.375 3.547 3.960 -0.064 0.000 0.239 156 G HA3 -0.375 3.544 3.960 -0.070 0.000 0.239 156 G C -1.036 173.826 174.900 -0.064 0.000 0.982 156 G CA -0.094 44.957 45.100 -0.081 0.000 0.650 156 G HN -0.461 7.556 8.290 -0.153 0.181 0.527 157 D N 1.401 121.752 120.400 -0.082 0.000 2.428 157 D HA 0.194 4.826 4.640 -0.013 0.000 0.221 157 D C -0.848 175.456 176.300 0.007 0.000 1.123 157 D CA -1.165 52.816 54.000 -0.032 0.000 0.869 157 D CB 0.047 40.817 40.800 -0.050 0.000 1.032 157 D HN -0.346 7.947 8.370 -0.128 0.000 0.506 158 E N 4.954 125.165 120.200 0.020 0.000 2.489 158 E HA -0.005 4.362 4.350 0.029 0.000 0.193 158 E C 0.220 176.850 176.600 0.050 0.000 1.057 158 E CA 0.747 57.165 56.400 0.029 0.000 0.866 158 E CB 0.244 29.952 29.700 0.013 0.000 0.916 158 E HN 0.502 8.870 8.360 0.013 0.000 0.500 159 T N -0.501 114.099 114.554 0.076 0.000 3.071 159 T HA 0.071 4.445 4.350 0.040 0.000 0.239 159 T C -0.160 174.604 174.700 0.107 0.000 0.997 159 T CA 1.964 64.106 62.100 0.070 0.000 1.134 159 T CB 1.424 70.326 68.868 0.056 0.000 0.928 159 T HN -0.301 8.197 8.240 0.088 -0.206 0.453 160 F N 5.088 125.037 119.950 -0.000 0.000 2.629 160 F HA -0.268 4.266 4.527 0.011 0.000 0.369 160 F C -1.811 173.998 175.800 0.015 0.000 1.125 160 F CA 2.110 60.118 58.000 0.013 0.000 1.330 160 F CB 1.004 40.023 39.000 0.030 0.000 1.071 160 F HN -0.321 8.502 8.300 0.288 -0.350 0.595 161 R N 4.640 124.848 120.500 -0.486 0.000 2.548 161 R HA 0.279 4.589 4.340 -0.049 0.000 0.280 161 R C -2.692 173.271 176.300 -0.562 0.000 1.061 161 R CA -1.641 54.273 56.100 -0.310 0.000 0.915 161 R CB 3.052 33.276 30.300 -0.127 0.000 1.210 161 R HN 0.151 8.001 8.270 -0.700 0.000 0.442 162 L N 3.480 124.543 121.223 -0.267 0.000 2.305 162 L HA 0.399 4.728 4.340 -0.220 -0.120 0.284 162 L C -2.367 174.490 176.870 -0.022 0.000 1.013 162 L CA -0.927 53.834 54.840 -0.133 0.000 0.819 162 L CB 3.342 45.451 42.059 0.082 0.000 1.227 162 L HN 0.239 8.449 8.230 -0.034 0.000 0.417 163 D N 5.262 125.640 120.400 -0.036 0.000 2.469 163 D HA 0.202 4.842 4.640 0.000 0.000 0.240 163 D C 0.157 176.459 176.300 0.003 0.000 1.087 163 D CA 1.244 55.236 54.000 -0.013 0.000 0.876 163 D CB 2.783 43.564 40.800 -0.031 0.000 1.160 163 D HN 0.775 9.515 8.370 -0.057 -0.405 0.497 164 R N -1.964 118.538 120.500 0.005 0.000 2.855 164 R HA 0.375 4.725 4.340 0.016 0.000 0.266 164 R C -1.345 174.971 176.300 0.026 0.000 1.034 164 R CA -1.358 54.750 56.100 0.014 0.000 0.944 164 R CB 3.788 34.094 30.300 0.010 0.000 1.219 164 R HN -0.470 8.040 8.270 -0.003 -0.242 0.474 165 T N -2.615 111.956 114.554 0.028 0.000 2.810 165 T HA 0.052 4.425 4.350 0.040 0.000 0.277 165 T C -0.201 174.521 174.700 0.036 0.000 0.973 165 T CA -1.219 60.901 62.100 0.034 0.000 0.949 165 T CB 1.695 70.580 68.868 0.029 0.000 1.075 165 T HN 0.116 8.371 8.240 0.025 0.000 0.537 166 E N 0.168 120.392 120.200 0.041 0.000 2.354 166 E HA 0.057 4.437 4.350 0.049 0.000 0.269 166 E C -0.588 176.036 176.600 0.040 0.000 1.036 166 E CA -1.562 54.866 56.400 0.046 0.000 0.876 166 E CB -0.267 29.465 29.700 0.053 0.000 1.009 166 E HN -0.191 8.507 8.360 0.040 -0.314 0.416 167 P HA 0.231 4.684 4.420 0.056 0.000 0.267 167 P C 0.348 177.674 177.300 0.043 0.000 1.289 167 P CA 0.753 63.882 63.100 0.049 0.000 0.866 167 P CB 1.101 32.831 31.700 0.050 0.000 1.309 168 T N -1.465 113.111 114.554 0.036 0.000 3.035 168 T HA -0.188 4.183 4.350 0.035 0.000 0.268 168 T C 1.860 176.579 174.700 0.031 0.000 1.109 168 T CA 3.079 65.198 62.100 0.032 0.000 1.119 168 T CB -0.390 68.493 68.868 0.025 0.000 0.900 168 T HN -0.105 8.100 8.240 0.033 0.055 0.503 169 L N -2.657 118.585 121.223 0.032 0.000 2.549 169 L HA -0.005 4.493 4.340 0.014 -0.149 0.230 169 L C 0.073 176.965 176.870 0.037 0.000 1.162 169 L CA 1.776 56.632 54.840 0.026 0.000 0.834 169 L CB -0.963 41.112 42.059 0.027 0.000 0.947 169 L HN -0.453 7.760 8.230 0.035 0.038 0.452 170 N N -2.021 116.708 118.700 0.049 0.000 2.270 170 N HA 0.088 4.868 4.740 0.068 0.000 0.198 170 N C 0.513 176.069 175.510 0.077 0.000 1.117 170 N CA 0.838 53.925 53.050 0.063 0.000 0.845 170 N CB 0.582 39.106 38.487 0.062 0.000 0.980 170 N HN -0.524 7.811 8.380 0.048 0.074 0.486 171 T N -2.366 112.230 114.554 0.069 0.000 2.833 171 T HA -0.228 4.188 4.350 0.110 0.000 0.269 171 T C -0.233 174.560 174.700 0.156 0.000 1.054 171 T CA 2.624 64.785 62.100 0.102 0.000 1.135 171 T CB 0.353 69.266 68.868 0.074 0.000 0.869 171 T HN -0.704 7.504 8.240 0.053 0.064 0.466 172 A N -0.525 122.344 122.820 0.083 0.000 2.822 172 A HA -0.275 4.049 4.320 0.006 0.000 0.287 172 A C -1.141 176.370 177.584 -0.122 0.000 1.479 172 A CA 0.488 52.556 52.037 0.052 0.000 0.779 172 A CB -1.689 17.400 19.000 0.149 0.000 1.022 172 A HN 0.128 8.308 8.150 0.051 0.000 0.532 173 I N -1.039 119.423 120.570 -0.180 0.000 2.556 173 I HA -0.033 3.596 4.170 -0.902 0.000 0.284 173 I C -1.488 174.349 176.117 -0.467 0.000 1.114 173 I CA -2.165 58.867 61.300 -0.446 0.000 1.418 173 I CB 0.326 38.222 38.000 -0.173 0.000 1.394 173 I HN -0.315 7.833 8.210 -0.083 0.012 0.552 174 P HA -0.082 4.120 4.420 -0.364 0.000 0.265 174 P C 0.344 177.486 177.300 -0.264 0.000 1.193 174 P CA 1.190 64.051 63.100 -0.399 0.000 0.765 174 P CB -0.155 31.319 31.700 -0.376 0.000 0.823 175 G N 3.827 112.493 108.800 -0.224 0.000 2.205 175 G HA2 -0.487 3.372 3.960 -0.168 0.000 0.261 175 G HA3 -0.487 3.382 3.960 -0.151 0.000 0.261 175 G C -0.495 174.319 174.900 -0.145 0.000 0.980 175 G CA 0.216 45.214 45.100 -0.170 0.000 0.632 175 G HN 0.270 8.414 8.290 -0.244 0.000 0.533 176 D N 2.381 122.691 120.400 -0.151 0.000 2.317 176 D HA 0.278 4.859 4.640 -0.099 0.000 0.252 176 D C -0.677 175.555 176.300 -0.113 0.000 1.174 176 D CA -3.081 50.850 54.000 -0.115 0.000 0.866 176 D CB 1.484 42.220 40.800 -0.107 0.000 1.127 176 D HN -0.576 7.604 8.370 -0.180 0.082 0.467 177 P HA 0.079 4.431 4.420 -0.113 0.000 0.236 177 P C -0.361 176.881 177.300 -0.096 0.000 1.177 177 P CA 0.226 63.267 63.100 -0.099 0.000 0.773 177 P CB 0.759 32.410 31.700 -0.082 0.000 0.878 178 R N -0.334 120.117 120.500 -0.082 0.000 2.570 178 R HA -0.342 4.142 4.340 -0.080 -0.192 0.277 178 R C -0.475 175.767 176.300 -0.096 0.000 1.039 178 R CA 1.302 57.355 56.100 -0.078 0.000 1.065 178 R CB -0.021 30.247 30.300 -0.053 0.000 0.964 178 R HN -0.565 7.897 8.270 -0.076 -0.238 0.428 179 D N -2.760 117.561 120.400 -0.131 0.000 2.746 179 D HA -0.367 4.321 4.640 -0.230 -0.186 0.236 179 D C -1.030 175.170 176.300 -0.166 0.000 1.129 179 D CA 1.693 55.598 54.000 -0.158 0.000 0.691 179 D CB -1.744 39.009 40.800 -0.079 0.000 1.077 179 D HN 0.208 8.793 8.370 -0.138 -0.297 0.432 180 T N -7.702 106.730 114.554 -0.204 0.000 2.930 180 T HA 0.882 5.301 4.350 -0.135 -0.150 0.290 180 T C -1.346 173.227 174.700 -0.212 0.000 1.052 180 T CA -2.310 59.688 62.100 -0.170 0.000 1.017 180 T CB 4.313 73.100 68.868 -0.136 0.000 1.137 180 T HN -0.740 7.367 8.240 -0.221 0.000 0.511 181 T N -0.553 113.903 114.554 -0.163 0.000 2.671 181 T HA 0.450 4.756 4.350 -0.074 0.000 0.300 181 T C -2.088 172.546 174.700 -0.109 0.000 1.238 181 T CA -1.935 60.105 62.100 -0.100 0.000 1.020 181 T CB 1.202 70.073 68.868 0.006 0.000 1.503 181 T HN -0.062 8.072 8.240 -0.176 0.000 0.497 182 T N -2.743 111.783 114.554 -0.046 0.000 2.945 182 T HA 0.929 5.461 4.350 0.032 -0.164 0.286 182 T C -0.786 173.897 174.700 -0.027 0.000 1.025 182 T CA -3.899 58.196 62.100 -0.009 0.000 1.039 182 T CB 2.342 71.226 68.868 0.026 0.000 1.068 182 T HN 0.036 8.272 8.240 -0.007 0.000 0.497 183 P HA -0.262 4.235 4.420 0.128 0.000 0.215 183 P C 1.017 178.368 177.300 0.085 0.000 1.153 183 P CA 2.579 65.721 63.100 0.070 0.000 0.853 183 P CB 0.212 31.955 31.700 0.072 0.000 0.788 184 R N -2.295 118.242 120.500 0.062 0.000 2.083 184 R HA -0.444 3.927 4.340 0.052 0.000 0.237 184 R C 1.934 178.266 176.300 0.053 0.000 1.137 184 R CA 3.666 59.797 56.100 0.052 0.000 0.951 184 R CB -0.202 30.121 30.300 0.038 0.000 0.851 184 R HN -0.116 8.189 8.270 0.059 0.000 0.434 185 A N -1.449 121.404 122.820 0.054 0.000 1.902 185 A HA -0.286 4.061 4.320 0.046 0.000 0.217 185 A C 1.897 179.531 177.584 0.083 0.000 1.181 185 A CA 3.031 55.104 52.037 0.060 0.000 0.623 185 A CB -0.552 18.489 19.000 0.068 0.000 0.818 185 A HN -0.490 7.690 8.150 0.050 0.000 0.443 186 M N -0.090 119.580 119.600 0.117 0.000 2.175 186 M HA -0.277 4.299 4.480 0.159 0.000 0.264 186 M C 1.832 178.202 176.300 0.115 0.000 1.063 186 M CA 1.590 56.986 55.300 0.160 0.000 1.119 186 M CB -0.399 32.362 32.600 0.269 0.000 1.377 186 M HN -0.368 7.987 8.290 0.109 0.000 0.415 187 A N -0.749 122.128 122.820 0.096 0.000 1.902 187 A HA -0.401 3.950 4.320 0.052 0.000 0.217 187 A C 2.017 179.619 177.584 0.030 0.000 1.181 187 A CA 3.585 55.655 52.037 0.056 0.000 0.623 187 A CB -0.816 18.212 19.000 0.047 0.000 0.818 187 A HN 0.105 8.318 8.150 0.104 0.000 0.443 188 Q N -2.037 117.781 119.800 0.030 0.000 2.061 188 Q HA -0.342 4.002 4.340 0.006 0.000 0.204 188 Q C 2.842 178.845 176.000 0.006 0.000 0.984 188 Q CA 3.107 58.918 55.803 0.013 0.000 0.846 188 Q CB -0.386 28.359 28.738 0.012 0.000 0.902 188 Q HN -0.318 7.975 8.270 0.039 0.000 0.421 189 T N 2.989 117.551 114.554 0.013 0.000 2.746 189 T HA -0.368 3.967 4.350 -0.026 0.000 0.267 189 T C 1.744 176.451 174.700 0.011 0.000 1.039 189 T CA 5.071 67.169 62.100 -0.003 0.000 1.142 189 T CB -0.046 68.818 68.868 -0.008 0.000 0.866 189 T HN -0.266 7.992 8.240 0.028 0.000 0.444 190 L N 1.009 122.250 121.223 0.030 0.000 2.083 190 L HA -0.306 4.059 4.340 0.041 0.000 0.209 190 L C 0.814 177.685 176.870 0.001 0.000 1.083 190 L CA 2.872 57.730 54.840 0.028 0.000 0.752 190 L CB -0.489 41.590 42.059 0.034 0.000 0.899 190 L HN 0.019 8.273 8.230 0.041 0.000 0.433 191 R N -0.946 119.546 120.500 -0.013 0.000 2.080 191 R HA -0.422 3.888 4.340 -0.051 0.000 0.236 191 R C 2.350 178.636 176.300 -0.023 0.000 1.137 191 R CA 3.488 59.570 56.100 -0.031 0.000 0.943 191 R CB -0.300 29.981 30.300 -0.031 0.000 0.846 191 R HN -0.221 8.045 8.270 -0.006 0.000 0.431 192 Q N -1.688 118.105 119.800 -0.013 0.000 2.135 192 Q HA -0.277 4.057 4.340 -0.011 0.000 0.204 192 Q C 2.971 178.964 176.000 -0.011 0.000 0.981 192 Q CA 2.748 58.544 55.803 -0.012 0.000 0.856 192 Q CB -0.412 28.316 28.738 -0.017 0.000 0.902 192 Q HN -0.414 7.850 8.270 -0.011 0.000 0.425 193 L N -2.310 118.919 121.223 0.010 0.000 2.072 193 L HA -0.278 4.094 4.340 0.054 0.000 0.205 193 L C 1.606 178.490 176.870 0.023 0.000 1.079 193 L CA 2.893 57.758 54.840 0.042 0.000 0.752 193 L CB 0.158 42.266 42.059 0.081 0.000 0.906 193 L HN -0.035 8.186 8.230 0.011 0.015 0.436 194 T N -5.797 108.767 114.554 0.017 0.000 3.040 194 T HA -0.098 4.283 4.350 0.051 0.000 0.252 194 T C 1.053 175.765 174.700 0.019 0.000 1.064 194 T CA 2.343 64.465 62.100 0.035 0.000 1.110 194 T CB 1.345 70.245 68.868 0.053 0.000 0.921 194 T HN -0.375 7.870 8.240 0.009 0.000 0.480 195 L N -1.318 119.888 121.223 -0.028 0.000 2.717 195 L HA 0.305 4.642 4.340 -0.006 0.000 0.239 195 L C 0.040 176.846 176.870 -0.106 0.000 1.086 195 L CA -0.007 54.810 54.840 -0.039 0.000 0.897 195 L CB 2.136 44.168 42.059 -0.045 0.000 1.214 195 L HN -0.310 7.899 8.230 -0.035 0.000 0.508 196 G N -1.831 106.894 108.800 -0.124 0.000 2.695 196 G HA2 0.073 3.976 3.960 -0.095 0.000 0.213 196 G HA3 0.073 4.014 3.960 -0.032 0.000 0.213 196 G C 0.262 174.909 174.900 -0.421 0.000 1.406 196 G CA -0.055 44.956 45.100 -0.147 0.000 1.049 196 G HN -0.571 7.668 8.290 -0.086 0.000 0.573 197 H N 0.046 119.125 119.070 0.015 0.000 2.475 197 H HA 0.412 4.982 4.556 0.023 0.000 0.276 197 H C 0.025 175.366 175.328 0.022 0.000 1.126 197 H CA -0.893 55.166 56.048 0.018 0.000 1.023 197 H CB 0.063 29.832 29.762 0.011 0.000 1.669 197 H HN 0.270 nan 8.280 nan 0.000 0.573 198 A N -0.584 122.267 122.820 0.051 0.000 1.969 198 A HA -0.144 4.205 4.320 0.048 0.000 0.218 198 A C -0.525 177.121 177.584 0.103 0.000 1.169 198 A CA 1.548 53.619 52.037 0.056 0.000 0.635 198 A CB 0.627 19.641 19.000 0.023 0.000 0.810 198 A HN -0.323 7.834 8.150 0.012 0.000 0.445 199 L N -4.376 116.897 121.223 0.083 0.000 2.322 199 L HA 0.395 4.918 4.340 0.114 -0.115 0.269 199 L C 0.361 177.266 176.870 0.058 0.000 1.012 199 L CA -1.977 52.914 54.840 0.084 0.000 0.815 199 L CB 2.745 44.844 42.059 0.067 0.000 1.295 199 L HN -0.620 7.618 8.230 0.044 0.019 0.438 200 G N -1.158 107.675 108.800 0.054 0.000 2.664 200 G HA2 -0.114 3.889 3.960 0.071 0.000 0.242 200 G HA3 -0.114 3.979 3.960 0.038 -0.110 0.242 200 G C 0.362 175.274 174.900 0.020 0.000 1.225 200 G CA -0.272 44.856 45.100 0.047 0.000 0.849 200 G HN -0.016 8.643 8.290 0.056 -0.336 0.581 201 E N 0.621 120.838 120.200 0.028 0.000 2.038 201 E HA -0.352 3.993 4.350 -0.007 0.000 0.195 201 E C 2.615 179.199 176.600 -0.027 0.000 1.000 201 E CA 4.108 60.510 56.400 0.004 0.000 0.803 201 E CB -0.497 29.217 29.700 0.023 0.000 0.750 201 E HN 0.482 8.869 8.360 0.045 0.000 0.448 202 T N -4.534 110.002 114.554 -0.030 0.000 2.904 202 T HA -0.211 4.099 4.350 -0.066 0.000 0.267 202 T C 2.144 176.791 174.700 -0.088 0.000 1.059 202 T CA 3.212 65.277 62.100 -0.059 0.000 1.137 202 T CB -0.120 68.715 68.868 -0.055 0.000 0.879 202 T HN -0.215 8.015 8.240 -0.016 0.000 0.467 203 Q N 1.530 121.292 119.800 -0.064 0.000 2.079 203 Q HA -0.284 3.985 4.340 -0.117 0.000 0.200 203 Q C 2.243 178.197 176.000 -0.078 0.000 0.974 203 Q CA 3.720 59.478 55.803 -0.076 0.000 0.840 203 Q CB -0.709 28.014 28.738 -0.025 0.000 0.898 203 Q HN 0.160 8.392 8.270 -0.039 0.014 0.430 204 R N 1.213 121.685 120.500 -0.048 0.000 2.083 204 R HA -0.381 3.950 4.340 -0.015 0.000 0.237 204 R C 1.959 178.223 176.300 -0.059 0.000 1.137 204 R CA 3.509 59.586 56.100 -0.039 0.000 0.951 204 R CB -0.046 30.222 30.300 -0.052 0.000 0.851 204 R HN 0.208 8.455 8.270 -0.038 0.000 0.434 205 A N -2.163 120.606 122.820 -0.084 0.000 1.902 205 A HA -0.361 3.912 4.320 -0.078 0.000 0.217 205 A C 1.849 179.321 177.584 -0.186 0.000 1.181 205 A CA 3.218 55.191 52.037 -0.108 0.000 0.623 205 A CB -0.789 18.148 19.000 -0.104 0.000 0.818 205 A HN -0.232 7.871 8.150 -0.079 0.000 0.443 206 Q N -0.671 118.962 119.800 -0.278 0.000 2.084 206 Q HA -0.249 3.745 4.340 -0.576 0.000 0.202 206 Q C 2.112 177.759 176.000 -0.588 0.000 0.978 206 Q CA 2.476 57.942 55.803 -0.562 0.000 0.844 206 Q CB -0.280 28.041 28.738 -0.694 0.000 0.898 206 Q HN -0.484 7.646 8.270 -0.232 0.000 0.426 207 L N -0.321 120.754 121.223 -0.246 0.000 2.012 207 L HA -0.289 4.191 4.340 0.233 0.000 0.210 207 L C 1.806 178.732 176.870 0.092 0.000 1.073 207 L CA 3.227 58.096 54.840 0.049 0.000 0.748 207 L CB -0.408 41.716 42.059 0.108 0.000 0.891 207 L HN -0.159 7.951 8.230 -0.200 0.000 0.431 208 V N -1.629 118.307 119.914 0.037 0.000 2.343 208 V HA -0.523 3.698 4.120 0.169 0.000 0.247 208 V C 2.124 178.249 176.094 0.051 0.000 1.051 208 V CA 4.508 66.866 62.300 0.096 0.000 1.036 208 V CB -1.062 30.823 31.823 0.102 0.000 0.654 208 V HN -0.039 8.147 8.190 -0.006 0.000 0.451 209 T N 2.526 117.043 114.554 -0.062 0.000 2.684 209 T HA -0.432 3.887 4.350 -0.053 0.000 0.267 209 T C 2.101 176.842 174.700 0.069 0.000 1.036 209 T CA 4.766 66.823 62.100 -0.072 0.000 1.148 209 T CB -0.187 68.563 68.868 -0.197 0.000 0.863 209 T HN -0.080 8.086 8.240 -0.123 0.000 0.436 210 W N -0.371 120.941 121.300 0.021 0.000 2.355 210 W HA -0.244 4.427 4.660 0.019 0.000 0.309 210 W C 2.680 179.214 176.519 0.025 0.000 1.206 210 W CA 2.434 59.792 57.345 0.023 0.000 1.284 210 W CB -0.611 28.865 29.460 0.026 0.000 1.145 210 W HN -0.227 7.953 8.180 0.000 0.000 0.502 211 L N -2.041 119.347 121.223 0.276 0.000 2.083 211 L HA -0.395 4.042 4.340 0.161 0.000 0.209 211 L C 2.658 179.615 176.870 0.146 0.000 1.083 211 L CA 3.006 57.957 54.840 0.185 0.000 0.752 211 L CB -0.480 41.688 42.059 0.182 0.000 0.899 211 L HN -0.086 8.316 8.230 0.287 0.000 0.433 212 K N -2.650 117.834 120.400 0.141 0.000 2.283 212 K HA -0.183 4.358 4.320 0.127 -0.145 0.202 212 K C 1.744 178.386 176.600 0.070 0.000 1.048 212 K CA 2.407 58.755 56.287 0.102 0.000 0.948 212 K CB -0.068 32.459 32.500 0.045 0.000 0.742 212 K HN -0.151 8.186 8.250 0.145 0.000 0.458 213 G N -3.747 105.102 108.800 0.081 0.000 3.233 213 G HA2 0.012 3.994 3.960 0.036 0.000 0.227 213 G HA3 0.012 4.019 3.960 0.078 0.000 0.227 213 G C -0.459 174.441 174.900 0.000 0.000 1.175 213 G CA -1.065 44.066 45.100 0.053 0.000 0.781 213 G HN -0.770 7.457 8.290 0.114 0.132 0.542 214 N N 1.572 120.275 118.700 0.004 0.000 2.407 214 N HA -0.162 4.518 4.740 -0.100 0.000 0.250 214 N C 0.548 175.995 175.510 -0.104 0.000 1.236 214 N CA 1.109 54.124 53.050 -0.058 0.000 0.879 214 N CB 0.529 39.009 38.487 -0.012 0.000 1.088 214 N HN -0.805 7.429 8.380 0.042 0.171 0.450 215 T N -0.801 113.630 114.554 -0.206 0.000 3.044 215 T HA 0.176 4.452 4.350 -0.124 0.000 0.250 215 T C 1.155 175.799 174.700 -0.094 0.000 1.081 215 T CA 1.004 62.995 62.100 -0.181 0.000 1.040 215 T CB 0.879 69.550 68.868 -0.328 0.000 0.962 215 T HN -0.001 8.073 8.240 -0.278 0.000 0.506 216 T N -1.883 112.627 114.554 -0.074 0.000 3.069 216 T HA 0.187 4.520 4.350 -0.028 0.000 0.252 216 T C 1.173 175.856 174.700 -0.027 0.000 1.053 216 T CA 0.621 62.699 62.100 -0.037 0.000 0.964 216 T CB 0.923 69.778 68.868 -0.023 0.000 1.005 216 T HN -0.605 7.843 8.240 -0.084 -0.258 0.532 217 G N -0.212 108.574 108.800 -0.024 0.000 3.126 217 G HA2 0.209 4.157 3.960 -0.021 0.000 0.224 217 G HA3 0.209 4.448 3.960 -0.010 -0.284 0.224 217 G C 0.080 174.971 174.900 -0.015 0.000 1.142 217 G CA -0.429 44.661 45.100 -0.017 0.000 0.759 217 G HN 0.170 8.384 8.290 -0.027 0.059 0.550 218 A N 0.355 123.166 122.820 -0.014 0.000 2.121 218 A HA -0.096 4.219 4.320 -0.008 0.000 0.218 218 A C 0.005 177.575 177.584 -0.022 0.000 1.154 218 A CA 2.315 54.344 52.037 -0.013 0.000 0.679 218 A CB -0.675 18.319 19.000 -0.010 0.000 0.795 218 A HN 0.178 8.319 8.150 -0.015 0.000 0.458 219 A N -6.169 116.635 122.820 -0.027 0.000 2.238 219 A HA 0.077 4.376 4.320 -0.035 0.000 0.210 219 A C -0.006 177.552 177.584 -0.044 0.000 1.179 219 A CA 0.305 52.321 52.037 -0.034 0.000 0.827 219 A CB -0.057 18.924 19.000 -0.031 0.000 0.856 219 A HN 0.195 8.288 8.150 -0.025 0.043 0.488 220 S N -2.178 113.496 115.700 -0.042 0.000 3.997 220 S HA 0.211 4.645 4.470 -0.061 0.000 0.204 220 S C 1.555 176.123 174.600 -0.054 0.000 1.001 220 S CA -0.919 57.249 58.200 -0.053 0.000 1.662 220 S CB 1.352 64.522 63.200 -0.050 0.000 0.765 220 S HN -0.786 7.440 8.310 -0.035 0.063 0.681 221 I N 1.607 122.146 120.570 -0.051 0.000 2.145 221 I HA -0.392 3.746 4.170 -0.054 0.000 0.244 221 I C 2.361 178.460 176.117 -0.031 0.000 1.075 221 I CA 4.439 65.713 61.300 -0.042 0.000 1.332 221 I CB 0.015 37.996 38.000 -0.030 0.000 1.033 221 I HN -0.142 8.308 8.210 -0.053 -0.272 0.410 222 R N -2.694 117.797 120.500 -0.016 0.000 2.237 222 R HA -0.325 4.021 4.340 0.009 0.000 0.219 222 R C 1.987 178.264 176.300 -0.037 0.000 1.080 222 R CA 2.834 58.932 56.100 -0.004 0.000 0.995 222 R CB -0.738 29.576 30.300 0.024 0.000 0.875 222 R HN 0.076 8.322 8.270 -0.014 0.016 0.462 223 A N -1.104 121.688 122.820 -0.048 0.000 2.067 223 A HA -0.095 4.190 4.320 -0.058 0.000 0.219 223 A C 0.564 178.096 177.584 -0.087 0.000 1.158 223 A CA 1.994 53.993 52.037 -0.062 0.000 0.661 223 A CB -0.329 18.637 19.000 -0.057 0.000 0.801 223 A HN -0.488 7.611 8.150 -0.043 0.025 0.452 224 G N -5.463 103.281 108.800 -0.094 0.000 3.042 224 G HA2 0.052 3.941 3.960 -0.117 0.000 0.212 224 G HA3 0.052 4.139 3.960 -0.106 -0.190 0.212 224 G C -1.339 173.455 174.900 -0.176 0.000 1.166 224 G CA -0.511 44.518 45.100 -0.119 0.000 0.767 224 G HN -0.382 7.668 8.290 -0.080 0.192 0.546 225 L N -0.084 121.015 121.223 -0.206 0.000 2.344 225 L HA 0.348 4.386 4.340 -0.504 0.000 0.272 225 L C -2.196 174.372 176.870 -0.502 0.000 1.035 225 L CA -2.728 51.875 54.840 -0.395 0.000 0.807 225 L CB 0.610 42.532 42.059 -0.229 0.000 1.237 225 L HN -0.687 7.284 8.230 -0.152 0.168 0.442 226 P HA 0.082 4.240 4.420 -0.437 0.000 0.266 226 P C 0.119 177.174 177.300 -0.409 0.000 1.195 226 P CA 0.059 62.750 63.100 -0.681 0.000 0.768 226 P CB 0.741 31.831 31.700 -1.016 0.000 0.838 227 T N -1.844 112.598 114.554 -0.186 0.000 3.035 227 T HA -0.244 4.072 4.350 -0.057 0.000 0.268 227 T C 1.070 175.792 174.700 0.036 0.000 1.109 227 T CA 2.102 64.166 62.100 -0.060 0.000 1.119 227 T CB 0.033 68.879 68.868 -0.037 0.000 0.900 227 T HN -0.033 8.103 8.240 -0.173 0.000 0.503 228 S N -0.499 115.247 115.700 0.076 0.000 2.481 228 S HA -0.072 4.478 4.470 0.133 0.000 0.231 228 S C 0.533 175.342 174.600 0.349 0.000 0.996 228 S CA 0.157 58.472 58.200 0.192 0.000 0.942 228 S CB -0.726 62.604 63.200 0.216 0.000 0.768 228 S HN -0.302 7.986 8.310 0.016 0.032 0.520 229 W N 2.065 123.389 121.300 0.040 0.000 2.126 229 W HA 0.063 4.770 4.660 0.079 0.000 0.346 229 W C 0.544 177.114 176.519 0.085 0.000 1.279 229 W CA -2.225 55.160 57.345 0.067 0.000 1.259 229 W CB 0.014 29.509 29.460 0.057 0.000 1.133 229 W HN -0.765 7.581 8.180 0.345 0.041 0.592 230 T N -5.966 108.794 114.554 0.343 0.000 2.932 230 T HA 0.417 4.903 4.350 0.226 0.000 0.289 230 T C -2.123 172.815 174.700 0.396 0.000 1.039 230 T CA -2.175 60.090 62.100 0.277 0.000 1.024 230 T CB 2.273 71.236 68.868 0.159 0.000 1.090 230 T HN 0.057 8.499 8.240 0.336 0.000 0.496 231 A N 0.772 123.799 122.820 0.345 0.000 2.601 231 A HA 0.815 5.720 4.320 0.527 -0.269 0.291 231 A C -2.353 175.420 177.584 0.315 0.000 1.075 231 A CA -0.641 51.619 52.037 0.371 0.000 0.671 231 A CB 4.035 23.166 19.000 0.219 0.000 1.277 231 A HN 0.060 8.362 8.150 0.254 0.000 0.417 232 G N -2.453 106.541 108.800 0.323 0.000 2.482 232 G HA2 0.415 4.568 3.960 0.172 0.000 0.317 232 G HA3 0.415 4.527 3.960 0.254 0.000 0.317 232 G C -2.573 172.403 174.900 0.128 0.000 1.241 232 G CA -1.181 44.049 45.100 0.216 0.000 0.967 232 G HN 0.308 8.804 8.290 0.344 0.000 0.482 233 D N -0.131 120.322 120.400 0.089 0.000 2.599 233 D HA 0.641 5.458 4.640 0.046 -0.150 0.252 233 D C -2.323 174.001 176.300 0.040 0.000 1.232 233 D CA -1.056 52.974 54.000 0.049 0.000 0.819 233 D CB 4.158 44.972 40.800 0.025 0.000 1.401 233 D HN -0.355 8.069 8.370 0.090 0.000 0.429 234 K N -0.374 120.039 120.400 0.022 0.000 2.507 234 K HA 0.443 4.774 4.320 0.018 0.000 0.252 234 K C -0.652 175.941 176.600 -0.011 0.000 0.943 234 K CA -1.687 54.611 56.287 0.018 0.000 0.808 234 K CB 2.996 35.521 32.500 0.042 0.000 1.142 234 K HN 0.371 8.628 8.250 0.012 0.000 0.426 235 T N 2.819 117.366 114.554 -0.013 0.000 2.816 235 T HA 0.502 4.964 4.350 -0.054 -0.145 0.282 235 T C -0.400 174.294 174.700 -0.010 0.000 0.993 235 T CA -1.718 60.365 62.100 -0.028 0.000 0.994 235 T CB 1.575 70.429 68.868 -0.024 0.000 1.025 235 T HN 0.103 8.340 8.240 -0.005 0.000 0.529 236 G N -1.422 107.370 108.800 -0.014 0.000 2.704 236 G HA2 0.305 4.281 3.960 0.028 0.000 0.293 236 G HA3 0.305 4.289 3.960 0.041 0.000 0.293 236 G C -3.023 171.894 174.900 0.028 0.000 1.421 236 G CA -0.881 44.232 45.100 0.022 0.000 0.870 236 G HN -0.089 8.086 8.290 -0.036 0.093 0.492 237 S N -1.240 114.482 115.700 0.037 0.000 2.550 237 S HA 1.016 5.754 4.470 0.062 -0.230 0.270 237 S C -1.380 173.251 174.600 0.051 0.000 1.145 237 S CA -1.254 56.971 58.200 0.041 0.000 0.852 237 S CB 3.706 66.910 63.200 0.006 0.000 1.119 237 S HN 0.255 8.587 8.310 0.038 0.000 0.465 241 Y N -3.796 116.501 120.300 -0.004 0.000 3.825 241 Y HA -0.524 4.574 4.550 -0.021 -0.560 0.221 241 Y C 0.399 176.286 175.900 -0.021 0.000 1.195 241 Y CA 0.696 58.784 58.100 -0.020 0.000 1.699 241 Y CB -1.786 36.654 38.460 -0.034 0.000 1.531 241 Y HN 0.526 8.501 8.280 -0.357 0.091 0.640 242 G N -3.920 104.910 108.800 0.049 0.000 2.283 242 G HA2 -0.536 3.546 3.960 0.061 0.000 0.280 242 G HA3 -0.536 3.466 3.960 0.070 0.000 0.280 242 G C -0.063 174.902 174.900 0.109 0.000 1.029 242 G CA 0.197 45.339 45.100 0.071 0.000 0.840 242 G HN 0.278 8.537 8.290 0.004 0.033 0.505 243 T N 3.063 117.687 114.554 0.117 0.000 2.870 243 T HA 0.031 4.662 4.350 0.129 -0.203 0.300 243 T C -0.743 174.050 174.700 0.154 0.000 0.989 243 T CA 1.949 64.134 62.100 0.142 0.000 1.139 243 T CB 0.833 69.794 68.868 0.155 0.000 0.920 243 T HN -0.705 7.585 8.240 0.116 0.019 0.537 244 T N 9.695 124.373 114.554 0.207 0.000 3.031 244 T HA 0.470 5.020 4.350 0.103 -0.139 0.305 244 T C -1.815 172.952 174.700 0.112 0.000 0.985 244 T CA -0.388 61.809 62.100 0.161 0.000 1.008 244 T CB 1.796 70.789 68.868 0.208 0.000 1.005 244 T HN 0.653 9.045 8.240 0.252 0.000 0.444 245 N N 5.135 123.837 118.700 0.002 0.000 2.405 245 N HA 0.810 5.581 4.740 -0.210 -0.158 0.285 245 N C -1.964 173.427 175.510 -0.199 0.000 1.262 245 N CA -1.225 51.723 53.050 -0.170 0.000 0.773 245 N CB 4.375 42.726 38.487 -0.228 0.000 1.490 245 N HN 0.603 8.987 8.380 0.008 0.000 0.486 246 D N -0.642 119.568 120.400 -0.316 0.000 2.769 246 D HA 0.556 5.281 4.640 -0.157 -0.179 0.219 246 D C -2.159 173.995 176.300 -0.244 0.000 1.245 246 D CA -0.180 53.698 54.000 -0.205 0.000 0.801 246 D CB 3.881 44.608 40.800 -0.122 0.000 1.598 246 D HN 0.346 8.437 8.370 -0.466 0.000 0.485 247 I N -2.048 118.437 120.570 -0.140 0.000 2.533 247 I HA 0.933 5.199 4.170 -0.096 -0.154 0.290 247 I C -2.770 173.330 176.117 -0.030 0.000 1.056 247 I CA -2.598 58.654 61.300 -0.081 0.000 1.057 247 I CB 3.789 41.770 38.000 -0.032 0.000 1.240 247 I HN 0.090 8.239 8.210 -0.102 0.000 0.423 248 A N 4.682 127.487 122.820 -0.026 0.000 2.515 248 A HA 0.919 5.401 4.320 0.006 -0.159 0.298 248 A C -2.083 175.466 177.584 -0.058 0.000 1.059 248 A CA -1.814 50.213 52.037 -0.016 0.000 0.698 248 A CB 4.136 23.133 19.000 -0.006 0.000 1.289 248 A HN 0.766 8.897 8.150 -0.032 0.000 0.404 249 V N 1.110 120.970 119.914 -0.091 0.000 2.435 249 V HA 0.818 4.927 4.120 -0.309 -0.175 0.290 249 V C -1.146 174.726 176.094 -0.370 0.000 1.030 249 V CA -1.881 60.241 62.300 -0.298 0.000 0.881 249 V CB 1.582 33.159 31.823 -0.410 0.000 0.983 249 V HN 0.111 8.284 8.190 -0.028 0.000 0.445 250 I N 4.047 124.301 120.570 -0.526 0.000 2.498 250 I HA 0.393 4.672 4.170 -0.032 -0.128 0.290 250 I C -1.392 174.434 176.117 -0.484 0.000 1.032 250 I CA -0.876 60.261 61.300 -0.271 0.000 1.073 250 I CB 4.074 42.043 38.000 -0.052 0.000 1.251 250 I HN 0.714 8.573 8.210 -0.585 0.000 0.426 251 W N 5.307 126.570 121.300 -0.062 0.000 2.347 251 W HA 0.593 5.149 4.660 -0.173 0.000 0.321 251 W C -2.187 174.149 176.519 -0.306 0.000 0.971 251 W CA -2.158 55.098 57.345 -0.149 0.000 1.508 251 W CB 1.115 30.525 29.460 -0.084 0.000 1.299 251 W HN 0.788 9.201 8.180 0.389 0.000 0.399 255 G N 2.440 111.190 108.800 -0.084 0.000 2.137 255 G HA2 -0.303 3.638 3.960 -0.032 0.000 0.237 255 G HA3 -0.303 3.635 3.960 -0.036 0.000 0.237 255 G C -0.684 174.171 174.900 -0.075 0.000 1.002 255 G CA 0.403 45.470 45.100 -0.055 0.000 0.702 255 G HN 0.154 8.404 8.290 -0.066 0.000 0.515 256 R N -3.416 117.019 120.500 -0.108 0.000 2.888 256 R HA 0.077 4.379 4.340 -0.062 0.000 0.277 256 R C -2.051 174.186 176.300 -0.107 0.000 0.981 256 R CA -1.294 54.747 56.100 -0.098 0.000 0.841 256 R CB 0.829 31.056 30.300 -0.121 0.000 1.405 256 R HN -0.649 7.548 8.270 -0.122 0.000 0.472 257 A N 0.288 123.051 122.820 -0.095 0.000 2.406 257 A HA 0.206 4.500 4.320 -0.044 0.000 0.243 257 A C -1.372 176.113 177.584 -0.166 0.000 1.082 257 A CA -1.040 50.945 52.037 -0.086 0.000 0.786 257 A CB -1.003 17.957 19.000 -0.067 0.000 1.029 257 A HN 0.237 8.336 8.150 -0.085 0.000 0.495 258 P HA 0.065 4.342 4.420 -0.487 -0.149 0.270 258 P C -1.125 175.983 177.300 -0.321 0.000 1.223 258 P CA -0.295 62.552 63.100 -0.422 0.000 0.785 258 P CB 0.631 31.933 31.700 -0.663 0.000 0.923 259 L N -0.734 120.279 121.223 -0.351 0.000 2.330 259 L HA 0.738 5.126 4.340 -0.176 -0.153 0.271 259 L C -0.699 176.031 176.870 -0.234 0.000 1.013 259 L CA -1.310 53.397 54.840 -0.223 0.000 0.816 259 L CB 3.554 45.529 42.059 -0.141 0.000 1.287 259 L HN 0.513 8.481 8.230 -0.436 0.000 0.435 260 V N 0.323 120.150 119.914 -0.144 0.000 2.495 260 V HA 0.735 4.943 4.120 -0.137 -0.170 0.298 260 V C -1.964 174.098 176.094 -0.054 0.000 1.031 260 V CA -1.617 60.618 62.300 -0.109 0.000 0.871 260 V CB 2.790 34.562 31.823 -0.084 0.000 0.988 260 V HN 0.419 8.540 8.190 -0.114 0.000 0.432 261 L N 8.931 130.131 121.223 -0.039 0.000 2.438 261 L HA 0.833 5.365 4.340 -0.002 -0.193 0.270 261 L C -2.595 174.265 176.870 -0.016 0.000 0.972 261 L CA -1.225 53.607 54.840 -0.014 0.000 0.831 261 L CB 4.290 46.346 42.059 -0.007 0.000 1.273 261 L HN 0.655 8.855 8.230 -0.050 0.000 0.405 262 V N 2.102 122.018 119.914 0.004 0.000 2.604 262 V HA 0.917 5.134 4.120 -0.082 -0.146 0.305 262 V C -1.532 174.542 176.094 -0.032 0.000 1.043 262 V CA -2.726 59.562 62.300 -0.021 0.000 0.888 262 V CB 3.110 34.988 31.823 0.092 0.000 0.995 262 V HN 0.833 9.035 8.190 0.021 0.000 0.429 263 T N 2.590 117.047 114.554 -0.161 0.000 2.890 263 T HA 0.714 5.211 4.350 -0.060 -0.183 0.295 263 T C -1.015 173.511 174.700 -0.289 0.000 0.993 263 T CA -1.953 60.063 62.100 -0.139 0.000 0.979 263 T CB 2.122 70.928 68.868 -0.103 0.000 0.967 263 T HN 0.523 8.609 8.240 -0.256 0.000 0.441 264 Y N 5.357 125.520 120.300 -0.228 0.000 2.429 264 Y HA 0.555 5.202 4.550 -0.106 -0.160 0.342 264 Y C -1.992 173.831 175.900 -0.128 0.000 1.004 264 Y CA -1.595 56.333 58.100 -0.287 0.000 1.075 264 Y CB 3.924 41.956 38.460 -0.712 0.000 1.214 264 Y HN 0.818 9.051 8.280 -0.077 0.000 0.455 265 F N 3.164 123.159 119.950 0.075 0.000 2.588 265 F HA 0.960 5.831 4.527 0.214 -0.215 0.314 265 F C -2.321 173.625 175.800 0.244 0.000 1.134 265 F CA -0.989 57.108 58.000 0.161 0.000 0.961 265 F CB 4.302 43.349 39.000 0.078 0.000 1.239 265 F HN 0.185 8.899 8.300 0.305 -0.231 0.448 266 T N 6.938 121.260 114.554 -0.386 0.000 2.868 266 T HA 0.407 4.641 4.350 -0.193 0.000 0.306 266 T C -2.372 172.043 174.700 -0.475 0.000 1.224 266 T CA -1.585 60.355 62.100 -0.267 0.000 1.012 266 T CB 2.066 70.949 68.868 0.026 0.000 1.221 266 T HN 0.625 8.567 8.240 -0.496 0.000 0.499 267 Q N 3.987 123.659 119.800 -0.213 0.000 2.496 267 Q HA 0.503 4.711 4.340 -0.220 0.000 0.286 267 Q C -2.196 173.837 176.000 0.054 0.000 1.103 267 Q CA -3.287 52.433 55.803 -0.138 0.000 0.813 267 Q CB 2.074 30.763 28.738 -0.081 0.000 1.444 267 Q HN -0.083 8.148 8.270 -0.065 0.000 0.443 268 P HA -0.047 4.431 4.420 0.097 0.000 0.231 268 P C -1.331 176.107 177.300 0.229 0.000 1.168 268 P CA 0.769 63.939 63.100 0.117 0.000 0.779 268 P CB 0.500 32.231 31.700 0.052 0.000 0.844 269 Q N -2.885 116.996 119.800 0.136 0.000 2.309 269 Q HA 0.140 4.515 4.340 0.059 0.000 0.264 269 Q C 0.164 175.978 176.000 -0.311 0.000 1.008 269 Q CA -0.999 54.805 55.803 0.001 0.000 0.853 269 Q CB 1.556 30.280 28.738 -0.024 0.000 1.314 269 Q HN -0.480 7.811 8.270 0.093 0.035 0.448 270 Q N 4.543 123.926 119.800 -0.696 0.000 2.135 270 Q HA -0.340 2.484 4.340 -2.527 0.000 0.204 270 Q C 0.017 175.682 176.000 -0.558 0.000 0.981 270 Q CA 3.834 58.886 55.803 -1.252 0.000 0.856 270 Q CB 0.084 28.329 28.738 -0.821 0.000 0.902 270 Q HN 0.597 8.609 8.270 -0.430 0.000 0.425 271 N N -2.836 115.686 118.700 -0.296 0.000 2.320 271 N HA 0.027 4.667 4.740 -0.166 0.000 0.237 271 N C -1.082 174.369 175.510 -0.098 0.000 1.129 271 N CA -0.476 52.476 53.050 -0.163 0.000 0.854 271 N CB -0.730 37.688 38.487 -0.114 0.000 1.083 271 N HN 0.047 8.213 8.380 -0.272 0.051 0.504 272 A N 1.153 123.916 122.820 -0.094 0.000 2.507 272 A HA -0.074 4.237 4.320 -0.014 0.000 0.235 272 A C -0.445 177.140 177.584 0.001 0.000 1.070 272 A CA 0.482 52.505 52.037 -0.023 0.000 0.768 272 A CB 0.695 19.699 19.000 0.005 0.000 1.011 272 A HN -0.716 7.273 8.150 -0.145 0.074 0.502 273 E N 1.175 121.391 120.200 0.027 0.000 2.373 273 E HA 0.007 4.368 4.350 0.018 0.000 0.263 273 E C 0.010 176.651 176.600 0.069 0.000 1.073 273 E CA -0.265 56.155 56.400 0.034 0.000 0.894 273 E CB 1.073 30.790 29.700 0.029 0.000 1.008 273 E HN 0.119 8.498 8.360 0.031 0.000 0.420 274 S N 1.040 116.773 115.700 0.055 0.000 2.558 274 S HA -0.199 4.333 4.470 0.103 0.000 0.288 274 S C 0.641 175.289 174.600 0.081 0.000 1.318 274 S CA 0.729 58.972 58.200 0.073 0.000 1.056 274 S CB 0.394 63.613 63.200 0.032 0.000 0.853 274 S HN 0.225 8.554 8.310 0.033 0.000 0.505 275 R N 3.593 124.159 120.500 0.109 0.000 2.738 275 R HA 0.451 4.865 4.340 0.005 -0.071 0.280 275 R C 0.160 176.426 176.300 -0.057 0.000 1.456 275 R CA -1.680 54.436 56.100 0.026 0.000 1.612 275 R CB -0.431 29.888 30.300 0.031 0.000 1.286 275 R HN -0.106 8.255 8.270 0.151 0.000 0.660 276 R N -0.805 119.673 120.500 -0.037 0.000 2.120 276 R HA -0.485 3.822 4.340 -0.055 0.000 0.234 276 R C 0.856 177.099 176.300 -0.095 0.000 1.123 276 R CA 4.125 60.190 56.100 -0.058 0.000 0.975 276 R CB -0.048 30.228 30.300 -0.040 0.000 0.866 276 R HN 0.300 8.559 8.270 -0.018 0.000 0.446 277 D N -2.247 118.095 120.400 -0.097 0.000 2.182 277 D HA -0.260 4.324 4.640 -0.094 0.000 0.201 277 D C 1.428 177.632 176.300 -0.161 0.000 0.986 277 D CA 2.435 56.370 54.000 -0.109 0.000 0.847 277 D CB -1.231 39.515 40.800 -0.090 0.000 0.942 277 D HN 0.097 8.399 8.370 -0.079 0.020 0.467 278 V N 0.478 120.243 119.914 -0.249 0.000 2.343 278 V HA -0.378 3.564 4.120 -0.297 0.000 0.247 278 V C 2.044 177.973 176.094 -0.276 0.000 1.051 278 V CA 3.348 65.431 62.300 -0.362 0.000 1.036 278 V CB -0.625 30.735 31.823 -0.773 0.000 0.654 278 V HN -0.604 7.321 8.190 -0.254 0.112 0.451 279 L N -1.335 119.756 121.223 -0.220 0.000 2.046 279 L HA -0.387 3.868 4.340 -0.143 0.000 0.208 279 L C 1.899 178.699 176.870 -0.116 0.000 1.077 279 L CA 3.160 57.913 54.840 -0.145 0.000 0.747 279 L CB -1.086 40.907 42.059 -0.110 0.000 0.896 279 L HN -0.892 7.206 8.230 -0.221 0.000 0.432 280 A N -0.678 122.076 122.820 -0.111 0.000 1.908 280 A HA -0.303 4.066 4.320 -0.085 -0.100 0.218 280 A C 2.493 180.016 177.584 -0.101 0.000 1.181 280 A CA 2.941 54.920 52.037 -0.095 0.000 0.627 280 A CB -0.786 18.161 19.000 -0.088 0.000 0.818 280 A HN -0.133 7.947 8.150 -0.116 0.000 0.445 281 S N -1.004 114.626 115.700 -0.116 0.000 2.382 281 S HA -0.337 4.073 4.470 -0.100 0.000 0.228 281 S C 2.075 176.610 174.600 -0.107 0.000 1.027 281 S CA 3.851 61.984 58.200 -0.112 0.000 0.991 281 S CB -0.181 62.945 63.200 -0.124 0.000 0.823 281 S HN -0.241 7.991 8.310 -0.130 0.000 0.469 282 A N 1.652 124.404 122.820 -0.114 0.000 1.877 282 A HA -0.414 3.845 4.320 -0.102 0.000 0.216 282 A C 1.406 178.948 177.584 -0.069 0.000 1.186 282 A CA 3.043 55.023 52.037 -0.095 0.000 0.620 282 A CB -0.751 18.195 19.000 -0.090 0.000 0.822 282 A HN -0.153 7.919 8.150 -0.130 0.000 0.443 283 A N -1.734 121.046 122.820 -0.067 0.000 1.933 283 A HA -0.334 3.969 4.320 -0.028 0.000 0.218 283 A C 1.806 179.354 177.584 -0.059 0.000 1.175 283 A CA 3.027 55.036 52.037 -0.048 0.000 0.628 283 A CB -0.855 18.115 19.000 -0.049 0.000 0.814 283 A HN -0.095 8.008 8.150 -0.077 0.000 0.444 284 R N -0.671 119.779 120.500 -0.083 0.000 2.075 284 R HA -0.219 4.195 4.340 -0.119 -0.145 0.232 284 R C 2.472 178.729 176.300 -0.071 0.000 1.126 284 R CA 3.062 59.105 56.100 -0.096 0.000 0.963 284 R CB -0.039 30.201 30.300 -0.101 0.000 0.858 284 R HN -0.337 7.881 8.270 -0.086 0.000 0.435 285 I N 0.010 120.542 120.570 -0.063 0.000 2.226 285 I HA -0.442 3.699 4.170 -0.048 0.000 0.245 285 I C 2.030 178.131 176.117 -0.027 0.000 1.100 285 I CA 4.077 65.347 61.300 -0.050 0.000 1.374 285 I CB 0.056 38.017 38.000 -0.066 0.000 1.057 285 I HN -0.347 7.820 8.210 -0.071 0.000 0.413 286 I N -0.981 119.579 120.570 -0.017 0.000 2.179 286 I HA -0.515 3.664 4.170 0.015 0.000 0.242 286 I C 1.919 178.062 176.117 0.043 0.000 1.088 286 I CA 2.717 64.025 61.300 0.015 0.000 1.357 286 I CB -1.160 36.853 38.000 0.022 0.000 1.051 286 I HN -0.379 7.814 8.210 -0.028 0.000 0.409 287 A N -1.831 121.012 122.820 0.037 0.000 1.930 287 A HA -0.284 4.158 4.320 0.203 0.000 0.217 287 A C 2.814 180.435 177.584 0.062 0.000 1.175 287 A CA 2.943 55.030 52.037 0.083 0.000 0.627 287 A CB -0.743 18.211 19.000 -0.077 0.000 0.815 287 A HN -0.030 8.122 8.150 0.002 0.000 0.443 288 E N -2.585 117.617 120.200 0.004 0.000 2.268 288 E HA -0.210 4.145 4.350 0.007 0.000 0.195 288 E C 1.344 177.958 176.600 0.022 0.000 0.995 288 E CA 1.625 58.027 56.400 0.003 0.000 0.836 288 E CB -0.002 29.684 29.700 -0.023 0.000 0.763 288 E HN -0.246 8.104 8.360 -0.017 0.000 0.491 289 G N -1.991 106.826 108.800 0.027 0.000 2.813 289 G HA2 0.017 3.990 3.960 0.021 0.000 0.209 289 G HA3 0.017 3.991 3.960 0.023 0.000 0.209 289 G C 0.228 175.152 174.900 0.040 0.000 1.150 289 G CA -0.120 44.996 45.100 0.028 0.000 0.785 289 G HN -0.618 7.540 8.290 0.026 0.147 0.535 290 L N 0.000 121.261 121.223 0.063 0.000 2.949 290 L HA 0.000 4.369 4.340 0.048 0.000 0.249 290 L CA 0.000 54.879 54.840 0.066 0.000 0.813 290 L CB 0.000 42.118 42.059 0.098 0.000 0.961 290 L HN 0.000 8.229 8.230 0.077 0.047 0.502