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 1n3h_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNKLSGGGGR RTRVEGGQLG GEEWTRHGSF VNKPTRGWLH PNDKVMGPGV DATA SEQUENCE SYLVRYMGCV EVLQSMRALD FNTRTQVTRE AISLVCEAVP GAKGATRRRK DATA SEQUENCE PCSRPLSSIL GRSNLKFAGM PITLTVSTSS LNLMAADCKQ IIANHHMQSI DATA SEQUENCE SFASGGDPDT AEYVAYVAKD PVNQRACHIL ECPEGLAQDV ISTIGQAFEL DATA SEQUENCE RFKQYLR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.481 4.480 0.001 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 N N 2.114 120.815 118.700 0.001 0.000 2.321 2 N HA 0.193 4.934 4.740 0.002 0.000 0.242 2 N C -0.438 175.073 175.510 0.002 0.000 1.141 2 N CA -0.400 52.651 53.050 0.002 0.000 0.864 2 N CB 0.462 38.950 38.487 0.002 0.000 1.100 2 N HN 0.286 8.667 8.380 0.001 0.000 0.510 3 K N -1.336 119.065 120.400 0.001 0.000 2.401 3 K HA 0.055 4.376 4.320 0.001 0.000 0.230 3 K C 0.638 177.239 176.600 0.001 0.000 1.183 3 K CA 0.284 56.571 56.287 0.001 0.000 0.798 3 K CB 0.641 33.142 32.500 0.001 0.000 1.455 3 K HN -0.472 7.693 8.250 0.001 0.086 0.430 4 L N -0.633 120.591 121.223 0.001 0.000 1.971 4 L HA -0.195 4.145 4.340 0.001 0.000 0.215 4 L C 0.941 177.812 176.870 0.001 0.000 1.072 4 L CA 1.749 56.590 54.840 0.001 0.000 0.758 4 L CB 0.150 42.210 42.059 0.001 0.000 0.889 4 L HN -0.370 7.860 8.230 0.001 0.000 0.433 5 S N -2.499 113.201 115.700 0.001 0.000 3.900 5 S HA -0.135 4.335 4.470 0.001 0.000 0.248 5 S C 0.492 175.093 174.600 0.001 0.000 1.310 5 S CA -0.695 57.505 58.200 0.001 0.000 0.915 5 S CB -1.054 62.146 63.200 0.001 0.000 1.588 5 S HN -0.169 8.141 8.310 0.001 0.000 0.472 6 G N 4.262 113.063 108.800 0.001 0.000 2.634 6 G HA2 -0.392 3.569 3.960 0.001 0.000 0.309 6 G HA3 -0.392 3.569 3.960 0.002 0.000 0.309 6 G C -2.003 172.898 174.900 0.002 0.000 1.265 6 G CA 0.113 45.214 45.100 0.001 0.000 0.998 6 G HN -0.255 8.004 8.290 0.001 0.032 0.551 7 G N -3.053 105.748 108.800 0.002 0.000 2.350 7 G HA2 -0.087 3.874 3.960 0.002 0.000 0.304 7 G HA3 -0.087 3.874 3.960 0.002 0.000 0.304 7 G C -1.556 173.346 174.900 0.003 0.000 1.421 7 G CA -0.498 44.603 45.100 0.002 0.000 0.934 7 G HN -0.346 7.946 8.290 0.002 0.000 0.632 8 G N 0.175 108.977 108.800 0.003 0.000 2.593 8 G HA2 -0.347 3.615 3.960 0.004 0.000 0.237 8 G HA3 -0.347 3.615 3.960 0.004 0.000 0.237 8 G C -0.882 174.020 174.900 0.004 0.000 1.312 8 G CA -0.337 44.766 45.100 0.004 0.000 0.896 8 G HN 0.226 8.518 8.290 0.003 0.000 0.574 9 G N -1.321 107.481 108.800 0.004 0.000 3.331 9 G HA2 -0.028 3.935 3.960 0.004 0.000 0.153 9 G HA3 -0.028 3.935 3.960 0.004 0.000 0.153 9 G C -0.981 173.922 174.900 0.005 0.000 1.216 9 G CA -0.218 44.885 45.100 0.004 0.000 1.426 9 G HN -0.026 8.266 8.290 0.005 0.000 0.705 10 R N -0.724 119.779 120.500 0.005 0.000 3.683 10 R HA -0.194 4.150 4.340 0.006 0.000 0.557 10 R C -0.350 175.953 176.300 0.006 0.000 0.304 10 R CA 0.121 56.224 56.100 0.006 0.000 1.724 10 R CB 0.776 31.080 30.300 0.007 0.000 1.069 10 R HN 0.016 8.289 8.270 0.005 0.000 0.564 11 R N 1.748 122.251 120.500 0.006 0.000 2.490 11 R HA 0.038 4.381 4.340 0.005 0.000 0.280 11 R C -0.586 175.718 176.300 0.007 0.000 1.077 11 R CA 0.928 57.032 56.100 0.006 0.000 1.065 11 R CB 0.470 30.773 30.300 0.005 0.000 1.003 11 R HN 0.288 8.563 8.270 0.007 0.000 0.470 12 T N 2.845 117.402 114.554 0.006 0.000 3.636 12 T HA 0.070 4.424 4.350 0.007 0.000 0.279 12 T C 0.149 174.852 174.700 0.005 0.000 0.977 12 T CA -0.038 62.065 62.100 0.006 0.000 1.139 12 T CB 0.943 69.814 68.868 0.006 0.000 1.147 12 T HN 0.207 8.450 8.240 0.005 0.000 0.442 13 R N -0.103 120.400 120.500 0.004 0.000 3.917 13 R HA -0.193 4.149 4.340 0.003 0.000 0.464 13 R C -1.374 174.928 176.300 0.004 0.000 0.241 13 R CA 0.531 56.633 56.100 0.004 0.000 1.459 13 R CB 0.429 30.732 30.300 0.004 0.000 1.084 13 R HN 0.006 8.279 8.270 0.004 0.000 0.525 14 V N -1.525 118.391 119.914 0.003 0.000 2.546 14 V HA 0.253 4.375 4.120 0.003 0.000 0.284 14 V C -0.679 175.417 176.094 0.003 0.000 1.050 14 V CA -0.152 62.150 62.300 0.003 0.000 0.981 14 V CB 0.420 32.245 31.823 0.003 0.000 0.990 14 V HN -0.016 8.176 8.190 0.003 0.000 0.474 15 E N 4.409 124.611 120.200 0.003 0.000 2.433 15 E HA 0.167 4.519 4.350 0.004 0.000 0.273 15 E C -0.261 176.341 176.600 0.003 0.000 0.950 15 E CA -0.860 55.542 56.400 0.004 0.000 0.796 15 E CB 2.709 32.411 29.700 0.004 0.000 1.330 15 E HN 0.231 8.593 8.360 0.003 0.000 0.455 16 G N -0.896 107.905 108.800 0.003 0.000 2.325 16 G HA2 0.114 4.076 3.960 0.003 0.000 0.298 16 G HA3 0.114 4.076 3.960 0.003 0.000 0.298 16 G C -1.173 173.728 174.900 0.002 0.000 1.134 16 G CA -0.089 45.013 45.100 0.003 0.000 0.876 16 G HN 0.220 8.512 8.290 0.003 0.000 0.452 17 G N 0.872 109.673 108.800 0.002 0.000 5.021 17 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.254 17 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.254 17 G C -0.987 173.914 174.900 0.002 0.000 0.932 17 G CA 0.091 45.192 45.100 0.001 0.000 0.743 17 G HN 0.228 8.520 8.290 0.003 0.000 0.441 18 Q N -0.165 119.638 119.800 0.006 0.000 3.761 18 Q HA 0.178 4.523 4.340 0.007 0.000 0.206 18 Q C -1.509 174.500 176.000 0.015 0.000 0.900 18 Q CA -0.163 55.645 55.803 0.008 0.000 0.737 18 Q CB 0.764 29.505 28.738 0.006 0.000 1.454 18 Q HN -0.165 8.108 8.270 0.006 0.000 0.448 19 L N 3.471 124.707 121.223 0.021 0.000 2.318 19 L HA 0.326 4.683 4.340 0.027 0.000 0.277 19 L C 0.105 177.007 176.870 0.054 0.000 1.008 19 L CA -0.287 54.572 54.840 0.032 0.000 0.846 19 L CB 0.281 42.356 42.059 0.027 0.000 1.220 19 L HN 0.103 8.345 8.230 0.020 0.000 0.423 20 G N 2.689 111.521 108.800 0.054 0.000 2.648 20 G HA2 0.118 4.123 3.960 0.074 0.000 0.217 20 G HA3 0.118 4.112 3.960 0.056 0.000 0.217 20 G C -1.574 173.394 174.900 0.114 0.000 1.386 20 G CA 0.111 45.255 45.100 0.074 0.000 0.920 20 G HN 0.353 8.667 8.290 0.041 0.000 0.540 21 G N -3.127 105.727 108.800 0.090 0.000 2.633 21 G HA2 -0.059 3.939 3.960 0.064 0.000 0.299 21 G HA3 -0.059 3.978 3.960 0.129 0.000 0.299 21 G C -0.701 174.245 174.900 0.077 0.000 1.501 21 G CA -0.581 44.574 45.100 0.092 0.000 0.887 21 G HN -0.820 7.513 8.290 0.072 0.000 0.561 22 E N 0.407 120.637 120.200 0.050 0.000 2.049 22 E HA -0.246 4.126 4.350 0.037 0.000 0.198 22 E C -0.055 176.584 176.600 0.065 0.000 1.007 22 E CA 1.485 57.909 56.400 0.041 0.000 0.809 22 E CB 0.356 30.066 29.700 0.016 0.000 0.749 22 E HN 0.023 8.402 8.360 0.032 0.000 0.450 23 E N -0.501 119.748 120.200 0.082 0.000 2.283 23 E HA 0.083 4.530 4.350 0.162 0.000 0.258 23 E C -0.916 175.846 176.600 0.270 0.000 0.893 23 E CA -0.434 56.037 56.400 0.118 0.000 0.798 23 E CB -0.295 29.392 29.700 -0.020 0.000 1.242 23 E HN -0.205 8.197 8.360 0.070 0.000 0.414 24 W N -0.558 120.750 121.300 0.012 0.000 3.078 24 W HA -0.279 4.389 4.660 0.014 0.000 0.454 24 W C -1.671 174.874 176.519 0.043 0.000 1.856 24 W CA 0.065 57.420 57.345 0.018 0.000 0.459 24 W CB -0.341 29.124 29.460 0.008 0.000 2.859 24 W HN -0.067 8.408 8.180 0.490 0.000 0.416 25 T N 2.179 116.844 114.554 0.185 0.000 2.912 25 T HA 0.289 4.800 4.350 0.268 0.000 0.326 25 T C -0.374 174.377 174.700 0.086 0.000 1.080 25 T CA -0.481 61.717 62.100 0.164 0.000 1.000 25 T CB 0.308 69.234 68.868 0.098 0.000 1.008 25 T HN 0.143 8.422 8.240 0.066 0.000 0.473 26 R N 3.615 124.200 120.500 0.141 0.000 2.617 26 R HA 0.198 4.533 4.340 -0.008 0.000 0.432 26 R C -1.000 175.351 176.300 0.084 0.000 1.018 26 R CA 0.138 56.276 56.100 0.063 0.000 1.077 26 R CB -0.308 30.041 30.300 0.081 0.000 1.394 26 R HN 0.387 8.803 8.270 0.244 0.000 0.608 27 H N -0.844 118.248 119.070 0.037 0.000 2.615 27 H HA 0.295 4.862 4.556 0.019 0.000 0.346 27 H C -0.343 175.020 175.328 0.059 0.000 1.200 27 H CA -1.411 54.659 56.048 0.037 0.000 1.264 27 H CB 0.729 30.514 29.762 0.038 0.000 1.699 27 H HN -0.337 7.946 8.280 0.006 0.000 0.567 28 G N -1.699 107.183 108.800 0.138 0.000 2.444 28 G HA2 0.131 4.111 3.960 0.033 0.000 0.268 28 G HA3 0.131 4.243 3.960 0.253 0.000 0.268 28 G C -0.611 174.393 174.900 0.172 0.000 1.203 28 G CA -0.570 44.613 45.100 0.137 0.000 0.835 28 G HN 0.049 8.494 8.290 0.259 0.000 0.543 29 S N 1.243 117.006 115.700 0.105 0.000 2.496 29 S HA 0.154 4.656 4.470 0.054 0.000 0.221 29 S C -0.838 173.815 174.600 0.088 0.000 1.260 29 S CA -0.356 57.876 58.200 0.054 0.000 1.181 29 S CB 0.998 64.169 63.200 -0.050 0.000 1.136 29 S HN 0.130 8.494 8.310 0.090 0.000 0.467 30 F N 4.316 124.255 119.950 -0.019 0.000 2.293 30 F HA 0.344 4.847 4.527 -0.038 0.000 0.370 30 F C -1.639 174.120 175.800 -0.069 0.000 1.090 30 F CA -1.490 56.483 58.000 -0.046 0.000 1.133 30 F CB 0.116 39.082 39.000 -0.057 0.000 1.360 30 F HN -0.054 8.185 8.300 -0.103 0.000 0.489 31 V N 5.485 125.335 119.914 -0.106 0.000 2.488 31 V HA 0.017 4.016 4.120 -0.203 0.000 0.293 31 V C -0.466 175.599 176.094 -0.049 0.000 1.027 31 V CA -1.169 61.045 62.300 -0.144 0.000 0.862 31 V CB 1.405 33.128 31.823 -0.167 0.000 1.008 31 V HN 0.092 8.266 8.190 -0.026 0.000 0.428 32 N N 6.701 125.385 118.700 -0.027 0.000 2.537 32 N HA -0.358 4.384 4.740 0.002 0.000 0.286 32 N C -1.181 174.333 175.510 0.006 0.000 1.245 32 N CA 0.843 53.890 53.050 -0.006 0.000 0.704 32 N CB -0.097 38.381 38.487 -0.014 0.000 0.910 32 N HN 0.391 8.750 8.380 -0.035 0.000 0.542 33 K N -0.978 119.435 120.400 0.021 0.000 2.387 33 K HA 0.015 4.342 4.320 0.012 0.000 0.166 33 K C -2.384 174.231 176.600 0.025 0.000 2.438 33 K CA 0.264 56.564 56.287 0.021 0.000 1.319 33 K CB 0.029 32.542 32.500 0.022 0.000 2.710 33 K HN -0.163 8.105 8.250 0.030 0.000 0.450 34 P HA 0.006 4.433 4.420 0.012 0.000 0.271 34 P C -1.455 175.856 177.300 0.018 0.000 1.244 34 P CA 0.253 63.370 63.100 0.028 0.000 0.793 34 P CB 0.413 32.141 31.700 0.046 0.000 0.984 35 T N 1.951 116.505 114.554 -0.001 0.000 3.686 35 T HA 0.179 4.535 4.350 0.011 0.000 0.248 35 T C -1.485 173.203 174.700 -0.020 0.000 1.090 35 T CA 0.058 62.156 62.100 -0.003 0.000 1.659 35 T CB -0.598 68.265 68.868 -0.008 0.000 0.780 35 T HN 0.141 8.373 8.240 -0.014 0.000 0.632 36 R N 2.854 123.346 120.500 -0.014 0.000 2.739 36 R HA 0.501 4.815 4.340 -0.045 0.000 0.271 36 R C -2.404 173.902 176.300 0.010 0.000 1.010 36 R CA -1.759 54.322 56.100 -0.031 0.000 0.897 36 R CB 2.185 32.445 30.300 -0.067 0.000 1.236 36 R HN -0.205 8.068 8.270 0.004 0.000 0.466 37 G N -2.183 106.630 108.800 0.022 0.000 2.687 37 G HA2 0.125 4.301 3.960 0.113 0.000 0.291 37 G HA3 0.125 4.209 3.960 0.125 -0.049 0.291 37 G C -1.435 173.543 174.900 0.130 0.000 1.420 37 G CA -1.072 44.087 45.100 0.099 0.000 0.796 37 G HN -0.150 8.133 8.290 -0.010 0.000 0.485 38 W N 2.138 123.453 121.300 0.025 0.000 2.520 38 W HA -0.325 4.433 4.660 0.015 -0.089 0.337 38 W C 0.584 177.139 176.519 0.060 0.000 1.406 38 W CA 1.744 59.107 57.345 0.030 0.000 1.318 38 W CB -0.827 28.650 29.460 0.029 0.000 1.338 38 W HN 0.304 8.742 8.180 0.371 -0.035 0.570 39 L N 3.497 124.781 121.223 0.102 0.000 3.461 39 L HA -0.556 3.863 4.340 0.100 -0.019 0.094 39 L C -1.429 175.597 176.870 0.261 0.000 4.424 39 L CA 2.772 57.730 54.840 0.197 0.000 0.523 39 L CB -0.909 41.352 42.059 0.337 0.000 3.542 39 L HN 0.965 9.373 8.230 -0.183 -0.288 0.792 40 H N -2.594 116.536 119.070 0.100 0.000 2.908 40 H HA 0.346 4.925 4.556 0.039 0.000 0.350 40 H C -2.647 172.722 175.328 0.067 0.000 1.217 40 H CA -2.212 53.874 56.048 0.063 0.000 1.168 40 H CB 1.850 31.646 29.762 0.057 0.000 1.891 40 H HN 0.043 8.457 8.280 0.327 0.061 0.566 41 P HA -0.268 4.168 4.420 0.026 0.000 0.271 41 P C 0.614 177.972 177.300 0.097 0.000 1.197 41 P CA 0.699 63.834 63.100 0.059 0.000 0.777 41 P CB 0.661 32.389 31.700 0.047 0.000 0.827 42 N N 1.413 120.159 118.700 0.077 0.000 2.133 42 N HA -0.475 4.322 4.740 0.096 0.000 0.193 42 N C 1.582 177.128 175.510 0.061 0.000 1.012 42 N CA 3.691 56.786 53.050 0.076 0.000 0.871 42 N CB -0.617 37.905 38.487 0.059 0.000 1.011 42 N HN 0.402 8.819 8.380 0.062 0.000 0.435 43 D N -1.170 119.263 120.400 0.055 0.000 2.158 43 D HA -0.274 4.382 4.640 0.026 0.000 0.197 43 D C 2.423 178.749 176.300 0.044 0.000 0.995 43 D CA 3.131 57.156 54.000 0.042 0.000 0.846 43 D CB -0.391 40.435 40.800 0.043 0.000 0.941 43 D HN 0.240 8.629 8.370 0.056 0.015 0.456 44 K N -2.087 118.360 120.400 0.077 0.000 2.283 44 K HA -0.183 4.160 4.320 0.039 0.000 0.202 44 K C 2.231 178.858 176.600 0.045 0.000 1.048 44 K CA 2.028 58.358 56.287 0.071 0.000 0.948 44 K CB -0.056 32.527 32.500 0.139 0.000 0.742 44 K HN -0.011 8.181 8.250 0.105 0.122 0.458 45 V N -2.779 117.164 119.914 0.050 0.000 2.502 45 V HA -0.036 4.068 4.120 -0.026 0.000 0.234 45 V C 1.874 177.951 176.094 -0.028 0.000 1.072 45 V CA 2.437 64.739 62.300 0.004 0.000 1.094 45 V CB 0.031 31.871 31.823 0.028 0.000 0.761 45 V HN -0.181 7.875 8.190 0.068 0.175 0.489 46 M N -2.549 117.044 119.600 -0.012 0.000 2.426 46 M HA -0.170 4.285 4.480 -0.042 0.000 0.261 46 M C 1.074 177.357 176.300 -0.029 0.000 1.068 46 M CA 2.490 57.774 55.300 -0.026 0.000 1.066 46 M CB -0.592 32.000 32.600 -0.014 0.000 1.399 46 M HN -0.198 8.099 8.290 0.010 0.000 0.449 47 G N 0.071 108.858 108.800 -0.021 0.000 2.651 47 G HA2 0.092 4.036 3.960 -0.026 0.000 0.226 47 G HA3 0.092 4.119 3.960 -0.015 -0.076 0.226 47 G C -1.153 173.725 174.900 -0.037 0.000 1.542 47 G CA 0.565 45.651 45.100 -0.024 0.000 0.868 47 G HN -0.278 7.952 8.290 -0.010 0.054 0.588 48 P HA 0.127 4.514 4.420 -0.055 0.000 0.234 48 P C -0.442 176.815 177.300 -0.071 0.000 1.175 48 P CA -0.441 62.628 63.100 -0.052 0.000 0.801 48 P CB 1.080 32.752 31.700 -0.047 0.000 0.891 49 G N -1.557 107.203 108.800 -0.067 0.000 2.892 49 G HA2 -0.345 3.730 3.960 -0.099 0.000 0.686 49 G HA3 -0.345 3.544 3.960 -0.118 0.000 0.686 49 G C -0.561 174.276 174.900 -0.105 0.000 1.244 49 G CA -0.266 44.775 45.100 -0.099 0.000 0.947 49 G HN -0.550 7.606 8.290 -0.046 0.106 0.584 50 V N 2.830 122.676 119.914 -0.114 0.000 2.284 50 V HA 0.108 4.186 4.120 -0.070 0.000 0.260 50 V C -0.488 175.537 176.094 -0.115 0.000 1.084 50 V CA -0.745 61.516 62.300 -0.065 0.000 0.894 50 V CB -1.511 30.383 31.823 0.118 0.000 1.119 50 V HN -0.250 7.846 8.190 -0.157 0.000 0.484 51 S N 6.722 122.319 115.700 -0.173 0.000 2.472 51 S HA 0.677 5.269 4.470 -0.089 -0.175 0.303 51 S C -1.280 173.183 174.600 -0.229 0.000 1.099 51 S CA -1.434 56.675 58.200 -0.152 0.000 1.077 51 S CB 2.521 65.628 63.200 -0.155 0.000 1.031 51 S HN -0.324 7.854 8.310 -0.219 0.000 0.487 52 Y N 2.399 122.700 120.300 0.002 0.000 2.625 52 Y HA 0.165 4.721 4.550 0.009 0.000 0.338 52 Y C -1.778 174.129 175.900 0.012 0.000 1.123 52 Y CA -0.482 57.629 58.100 0.018 0.000 1.046 52 Y CB 4.433 42.922 38.460 0.049 0.000 1.299 52 Y HN 0.133 8.474 8.280 0.102 0.000 0.464 53 L N 2.379 123.761 121.223 0.264 0.000 2.367 53 L HA 0.325 4.903 4.340 0.091 -0.184 0.275 53 L C -0.850 176.083 176.870 0.104 0.000 1.129 53 L CA 0.225 55.144 54.840 0.131 0.000 0.839 53 L CB 0.165 42.286 42.059 0.103 0.000 1.133 53 L HN 0.339 8.804 8.230 0.391 0.000 0.453 54 V N -0.595 119.364 119.914 0.074 0.000 2.851 54 V HA 0.526 4.763 4.120 0.048 -0.089 0.307 54 V C -1.552 174.576 176.094 0.055 0.000 1.129 54 V CA -2.341 59.996 62.300 0.062 0.000 0.932 54 V CB 3.249 35.120 31.823 0.081 0.000 1.024 54 V HN 1.032 9.152 8.190 0.063 0.107 0.426 55 R N 4.808 125.329 120.500 0.035 0.000 2.272 55 R HA 0.085 4.554 4.340 0.062 -0.092 0.334 55 R C -0.747 175.596 176.300 0.071 0.000 1.117 55 R CA -1.046 55.078 56.100 0.041 0.000 0.966 55 R CB 0.019 30.318 30.300 -0.001 0.000 1.049 55 R HN 0.321 8.597 8.270 0.011 0.000 0.477 56 Y N 7.945 128.232 120.300 -0.021 0.000 2.425 56 Y HA -0.146 4.370 4.550 -0.058 0.000 0.331 56 Y C -1.641 174.271 175.900 0.020 0.000 1.157 56 Y CA 0.097 58.185 58.100 -0.021 0.000 1.372 56 Y CB 1.115 39.568 38.460 -0.012 0.000 1.253 56 Y HN -0.243 8.164 8.280 0.212 0.000 0.536 57 M N 7.183 126.466 119.600 -0.529 0.000 2.046 57 M HA 0.381 4.721 4.480 -0.354 -0.072 0.309 57 M C -0.179 175.744 176.300 -0.629 0.000 0.935 57 M CA -1.563 53.472 55.300 -0.442 0.000 0.915 57 M CB 1.377 33.906 32.600 -0.118 0.000 1.474 57 M HN 0.426 8.440 8.290 -0.315 0.087 0.415 58 G N 4.544 112.978 108.800 -0.611 0.000 2.557 58 G HA2 -0.402 3.364 3.960 -0.323 0.000 0.734 58 G HA3 -0.402 3.659 3.960 -0.235 -0.242 0.734 58 G C -0.788 173.933 174.900 -0.299 0.000 1.327 58 G CA 1.346 46.215 45.100 -0.385 0.000 0.910 58 G HN 0.650 8.638 8.290 -0.504 0.000 0.553 59 C N -1.894 117.285 119.300 -0.202 0.000 2.607 59 C HA 0.332 4.673 4.460 -0.271 -0.044 0.350 59 C C -1.441 173.458 174.990 -0.152 0.000 1.101 59 C CA -2.299 56.556 59.018 -0.273 0.000 1.282 59 C CB 2.902 30.365 27.740 -0.462 0.000 1.825 59 C HN -0.310 7.821 8.230 -0.166 0.000 0.460 60 V N 1.513 121.380 119.914 -0.078 0.000 2.368 60 V HA 0.190 4.293 4.120 -0.028 0.000 0.266 60 V C -1.747 174.342 176.094 -0.007 0.000 1.045 60 V CA -1.119 61.171 62.300 -0.017 0.000 0.899 60 V CB -0.654 31.193 31.823 0.040 0.000 1.006 60 V HN 0.041 8.129 8.190 -0.051 0.071 0.470 61 E N 7.814 128.005 120.200 -0.015 0.000 2.313 61 E HA 0.115 4.472 4.350 0.010 0.000 0.272 61 E C -1.711 174.903 176.600 0.024 0.000 1.038 61 E CA -0.449 55.953 56.400 0.003 0.000 0.863 61 E CB 1.942 31.639 29.700 -0.006 0.000 1.060 61 E HN 0.515 8.738 8.360 -0.024 0.122 0.402 62 V N 4.500 124.437 119.914 0.038 0.000 2.567 62 V HA 0.128 4.252 4.120 0.033 0.016 0.298 62 V C -1.612 174.506 176.094 0.041 0.000 1.047 62 V CA -0.746 61.579 62.300 0.042 0.000 0.880 62 V CB 2.078 33.934 31.823 0.056 0.000 1.009 62 V HN 0.421 8.637 8.190 0.043 0.000 0.429 63 L N 5.399 126.641 121.223 0.031 0.000 3.073 63 L HA 0.204 4.565 4.340 0.034 0.000 0.242 63 L C -0.920 175.966 176.870 0.028 0.000 1.317 63 L CA -1.009 53.848 54.840 0.029 0.000 1.081 63 L CB -0.449 41.623 42.059 0.022 0.000 1.456 63 L HN 0.323 8.460 8.230 0.027 0.109 0.525 64 Q N -3.193 116.627 119.800 0.033 0.000 2.474 64 Q HA -0.154 4.202 4.340 0.027 0.000 0.256 64 Q C -0.608 175.409 176.000 0.028 0.000 1.048 64 Q CA -0.007 55.815 55.803 0.031 0.000 0.922 64 Q CB 0.629 29.390 28.738 0.038 0.000 1.288 64 Q HN -0.358 7.851 8.270 0.039 0.085 0.484 65 S N -0.948 114.765 115.700 0.022 0.000 2.690 65 S HA 0.117 4.598 4.470 0.019 0.000 0.285 65 S C -0.183 174.427 174.600 0.017 0.000 1.135 65 S CA -0.998 57.212 58.200 0.017 0.000 1.020 65 S CB 0.909 64.115 63.200 0.011 0.000 1.159 65 S HN 0.049 8.372 8.310 0.022 0.000 0.534 66 M N 0.340 119.946 119.600 0.010 0.000 2.719 66 M HA 0.058 4.544 4.480 0.011 0.000 0.247 66 M C -0.330 175.968 176.300 -0.003 0.000 1.287 66 M CA 0.631 55.934 55.300 0.005 0.000 1.004 66 M CB -0.560 32.040 32.600 0.001 0.000 1.514 66 M HN 0.117 8.412 8.290 0.007 0.000 0.462 67 R N -0.179 120.321 120.500 0.001 0.000 2.719 67 R HA 0.024 4.360 4.340 -0.007 0.000 0.175 67 R C -2.100 174.203 176.300 0.004 0.000 1.355 67 R CA 0.428 56.526 56.100 -0.005 0.000 1.082 67 R CB -0.016 30.274 30.300 -0.016 0.000 1.468 67 R HN -0.435 7.732 8.270 0.007 0.107 0.682 68 A N 0.397 123.226 122.820 0.015 0.000 2.320 68 A HA 0.322 4.652 4.320 0.018 0.000 0.334 68 A C -1.390 176.215 177.584 0.036 0.000 1.147 68 A CA -1.490 50.561 52.037 0.023 0.000 0.820 68 A CB 2.111 21.126 19.000 0.027 0.000 1.218 68 A HN 0.146 8.306 8.150 0.017 0.000 0.482 69 L N -2.100 119.147 121.223 0.041 0.000 0.653 69 L HA -0.264 4.112 4.340 0.059 0.000 0.357 69 L C -1.040 175.878 176.870 0.080 0.000 1.005 69 L CA 0.365 55.243 54.840 0.065 0.000 1.221 69 L CB 0.614 42.719 42.059 0.077 0.000 0.046 69 L HN 0.290 8.539 8.230 0.032 0.000 0.116 70 D N 7.552 128.015 120.400 0.104 0.000 2.845 70 D HA 0.157 4.813 4.640 0.026 0.000 0.235 70 D C -0.897 175.508 176.300 0.174 0.000 1.158 70 D CA 1.433 55.485 54.000 0.088 0.000 0.990 70 D CB -0.973 39.872 40.800 0.074 0.000 1.094 70 D HN 0.332 8.766 8.370 0.108 0.000 0.486 71 F N -0.639 119.310 119.950 -0.002 0.000 1.750 71 F HA -0.143 4.386 4.527 0.003 0.000 0.248 71 F C -1.297 174.501 175.800 -0.004 0.000 1.260 71 F CA 1.697 59.697 58.000 0.001 0.000 1.263 71 F CB 0.915 39.918 39.000 0.004 0.000 2.040 71 F HN -0.035 8.277 8.300 0.130 0.066 0.118 72 N N -3.442 115.406 118.700 0.245 0.000 2.223 72 N HA 0.077 4.867 4.740 0.083 0.000 0.309 72 N C -0.763 174.800 175.510 0.087 0.000 0.844 72 N CA 0.798 53.925 53.050 0.128 0.000 0.672 72 N CB 2.174 40.737 38.487 0.126 0.000 2.157 72 N HN -0.105 8.433 8.380 0.263 0.000 0.984 73 T N -3.926 110.682 114.554 0.090 0.000 5.504 73 T HA -0.405 3.978 4.350 0.055 0.000 0.268 73 T C 0.045 174.775 174.700 0.051 0.000 2.211 73 T CA 1.194 63.330 62.100 0.060 0.000 3.769 73 T CB -1.071 67.829 68.868 0.054 0.000 0.563 73 T HN 0.257 8.565 8.240 0.114 0.000 1.119 74 R N -0.654 119.879 120.500 0.054 0.000 2.088 74 R HA -0.306 4.075 4.340 0.068 0.000 0.232 74 R C 1.819 178.144 176.300 0.042 0.000 1.136 74 R CA 3.240 59.374 56.100 0.057 0.000 0.926 74 R CB -0.887 29.453 30.300 0.066 0.000 0.837 74 R HN 0.322 8.567 8.270 0.060 0.061 0.429 75 T N -2.900 111.666 114.554 0.020 0.000 2.569 75 T HA -0.336 4.022 4.350 0.014 0.000 0.263 75 T C 1.803 176.509 174.700 0.010 0.000 1.074 75 T CA 4.073 66.177 62.100 0.006 0.000 1.176 75 T CB -0.590 68.262 68.868 -0.026 0.000 0.863 75 T HN -0.277 7.969 8.240 0.010 0.000 0.410 76 Q N 0.056 119.859 119.800 0.005 0.000 2.065 76 Q HA -0.411 3.930 4.340 0.001 0.000 0.213 76 Q C 2.538 178.549 176.000 0.018 0.000 1.012 76 Q CA 3.039 58.848 55.803 0.009 0.000 0.876 76 Q CB -1.190 27.557 28.738 0.015 0.000 0.954 76 Q HN 0.280 8.549 8.270 -0.002 0.000 0.413 77 V N 0.988 120.920 119.914 0.030 0.000 2.220 77 V HA -0.535 3.604 4.120 0.033 0.000 0.242 77 V C 2.031 178.149 176.094 0.041 0.000 1.041 77 V CA 4.056 66.378 62.300 0.038 0.000 0.990 77 V CB -0.335 31.518 31.823 0.050 0.000 0.634 77 V HN -0.175 8.035 8.190 0.033 0.000 0.452 78 T N 1.156 115.741 114.554 0.053 0.000 2.685 78 T HA -0.545 3.850 4.350 0.075 0.000 0.268 78 T C 1.834 176.561 174.700 0.045 0.000 1.034 78 T CA 4.608 66.746 62.100 0.063 0.000 1.149 78 T CB -0.622 68.290 68.868 0.073 0.000 0.860 78 T HN -0.563 7.710 8.240 0.056 0.000 0.449 79 R N 1.744 122.260 120.500 0.027 0.000 2.094 79 R HA -0.275 4.264 4.340 0.005 -0.197 0.239 79 R C 2.520 178.818 176.300 -0.003 0.000 1.137 79 R CA 3.832 59.936 56.100 0.007 0.000 0.943 79 R CB 0.001 30.300 30.300 -0.002 0.000 0.850 79 R HN 0.450 8.726 8.270 0.027 0.011 0.433 80 E N -2.389 117.813 120.200 0.003 0.000 2.285 80 E HA -0.174 4.168 4.350 -0.013 0.000 0.194 80 E C 1.913 178.515 176.600 0.002 0.000 0.997 80 E CA 2.387 58.785 56.400 -0.003 0.000 0.845 80 E CB -0.169 29.532 29.700 0.002 0.000 0.782 80 E HN -0.419 7.947 8.360 0.010 0.000 0.491 81 A N 0.229 123.060 122.820 0.019 0.000 1.854 81 A HA -0.246 4.086 4.320 0.020 0.000 0.214 81 A C 1.873 179.474 177.584 0.029 0.000 1.192 81 A CA 3.271 55.326 52.037 0.030 0.000 0.611 81 A CB -0.295 18.737 19.000 0.054 0.000 0.832 81 A HN 0.214 8.241 8.150 0.026 0.138 0.442 82 I N -2.004 118.588 120.570 0.036 0.000 2.163 82 I HA -0.572 3.646 4.170 0.080 0.000 0.240 82 I C 1.744 177.829 176.117 -0.053 0.000 1.081 82 I CA 4.286 65.605 61.300 0.032 0.000 1.353 82 I CB -0.080 37.954 38.000 0.057 0.000 1.054 82 I HN 0.403 8.531 8.210 0.040 0.107 0.407 83 S N -0.707 114.948 115.700 -0.076 0.000 2.420 83 S HA -0.345 4.035 4.470 -0.150 0.000 0.237 83 S C 2.133 176.695 174.600 -0.063 0.000 1.023 83 S CA 2.861 61.004 58.200 -0.095 0.000 0.991 83 S CB -0.121 63.035 63.200 -0.072 0.000 0.792 83 S HN -0.424 7.855 8.310 -0.052 0.000 0.488 84 L N 1.323 122.525 121.223 -0.036 0.000 2.072 84 L HA -0.118 4.205 4.340 -0.029 0.000 0.205 84 L C 1.030 177.884 176.870 -0.026 0.000 1.079 84 L CA 3.023 57.847 54.840 -0.026 0.000 0.752 84 L CB -0.171 41.880 42.059 -0.014 0.000 0.906 84 L HN -0.611 7.456 8.230 -0.026 0.147 0.436 85 V N 0.348 120.252 119.914 -0.017 0.000 2.568 85 V HA -0.293 3.812 4.120 -0.024 0.000 0.253 85 V C 1.468 177.554 176.094 -0.014 0.000 1.072 85 V CA 2.008 64.302 62.300 -0.011 0.000 1.084 85 V CB -0.930 30.904 31.823 0.019 0.000 0.676 85 V HN -0.279 7.821 8.190 -0.009 0.085 0.469 86 C N -2.520 116.760 119.300 -0.033 0.000 2.486 86 C HA -0.173 4.428 4.460 -0.014 -0.149 0.279 86 C C 1.657 176.626 174.990 -0.034 0.000 1.302 86 C CA 2.709 61.703 59.018 -0.041 0.000 1.720 86 C CB -1.195 26.486 27.740 -0.097 0.000 2.030 86 C HN -0.441 7.624 8.230 -0.050 0.135 0.490 87 E N 0.499 120.677 120.200 -0.038 0.000 2.171 87 E HA -0.323 4.009 4.350 -0.030 0.000 0.197 87 E C 0.998 177.582 176.600 -0.027 0.000 0.997 87 E CA 2.485 58.867 56.400 -0.031 0.000 0.810 87 E CB 0.107 29.789 29.700 -0.029 0.000 0.738 87 E HN -0.640 7.614 8.360 -0.043 0.081 0.467 88 A N -1.596 121.207 122.820 -0.029 0.000 1.844 88 A HA 0.013 4.314 4.320 -0.032 0.000 0.212 88 A C 0.867 178.433 177.584 -0.029 0.000 1.221 88 A CA 1.940 53.958 52.037 -0.032 0.000 0.607 88 A CB 0.671 19.647 19.000 -0.040 0.000 0.878 88 A HN -0.559 7.447 8.150 -0.029 0.127 0.451 89 V N -1.420 118.479 119.914 -0.024 0.000 2.205 89 V HA 0.448 4.558 4.120 -0.016 0.000 0.263 89 V C -1.657 174.438 176.094 0.002 0.000 1.138 89 V CA -3.669 58.623 62.300 -0.013 0.000 1.059 89 V CB 1.700 33.514 31.823 -0.016 0.000 1.232 89 V HN -0.035 8.031 8.190 -0.023 0.110 0.469 90 P HA -0.071 4.372 4.420 -0.007 -0.027 0.228 90 P C 0.590 177.899 177.300 0.014 0.000 1.151 90 P CA 1.190 64.289 63.100 -0.002 0.000 0.770 90 P CB -0.008 31.686 31.700 -0.010 0.000 0.786 91 G N -2.121 106.690 108.800 0.018 0.000 2.517 91 G HA2 -0.226 3.747 3.960 0.021 0.000 0.222 91 G HA3 -0.226 3.749 3.960 0.025 0.000 0.222 91 G C -0.674 174.252 174.900 0.044 0.000 1.109 91 G CA 0.586 45.702 45.100 0.026 0.000 0.746 91 G HN 0.245 8.473 8.290 0.012 0.070 0.576 92 A N 1.558 124.417 122.820 0.064 0.000 2.880 92 A HA 0.323 4.701 4.320 0.096 0.000 0.328 92 A C -1.233 176.433 177.584 0.137 0.000 1.440 92 A CA -1.676 50.430 52.037 0.115 0.000 1.068 92 A CB -0.449 18.645 19.000 0.157 0.000 1.163 92 A HN -0.680 7.459 8.150 0.056 0.044 0.510 93 K N 3.131 123.585 120.400 0.090 0.000 2.477 93 K HA -0.367 3.961 4.320 0.014 0.000 0.275 93 K C -0.355 176.288 176.600 0.072 0.000 1.054 93 K CA 0.706 57.026 56.287 0.055 0.000 1.135 93 K CB -0.893 31.635 32.500 0.046 0.000 0.854 93 K HN -0.156 8.139 8.250 0.074 0.000 0.484 94 G N 3.409 112.151 108.800 -0.097 0.000 3.361 94 G HA2 0.141 4.016 3.960 -0.141 0.000 0.200 94 G HA3 0.141 3.528 3.960 -0.954 0.000 0.200 94 G C -1.329 173.375 174.900 -0.327 0.000 1.355 94 G CA 1.326 46.206 45.100 -0.367 0.000 0.798 94 G HN 0.283 8.511 8.290 -0.103 0.000 0.803 95 A N -0.370 122.270 122.820 -0.301 0.000 2.074 95 A HA 0.462 4.686 4.320 -0.160 0.000 0.200 95 A C -0.780 176.737 177.584 -0.112 0.000 1.335 95 A CA 0.185 52.108 52.037 -0.190 0.000 0.922 95 A CB 1.478 20.360 19.000 -0.197 0.000 0.972 95 A HN -0.337 7.624 8.150 -0.315 0.000 0.475 96 T N -2.553 111.940 114.554 -0.102 0.000 2.565 96 T HA 0.177 4.496 4.350 -0.053 0.000 0.266 96 T C -2.019 172.654 174.700 -0.045 0.000 0.905 96 T CA -1.022 61.041 62.100 -0.061 0.000 1.122 96 T CB 1.178 70.014 68.868 -0.053 0.000 1.437 96 T HN -0.423 7.741 8.240 -0.127 0.000 0.506 97 R N -0.242 120.240 120.500 -0.031 0.000 3.681 97 R HA 0.124 4.454 4.340 -0.016 0.000 0.252 97 R C -0.686 175.605 176.300 -0.015 0.000 1.000 97 R CA 1.008 57.097 56.100 -0.019 0.000 1.056 97 R CB 0.896 31.188 30.300 -0.013 0.000 1.243 97 R HN 0.374 8.626 8.270 -0.030 0.000 0.549 98 R N 1.779 122.273 120.500 -0.011 0.000 1.195 98 R HA -0.375 3.960 4.340 -0.007 0.000 0.014 98 R C -1.210 175.083 176.300 -0.012 0.000 0.961 98 R CA 2.276 58.370 56.100 -0.009 0.000 1.984 98 R CB -0.394 29.901 30.300 -0.008 0.000 0.125 98 R HN 0.641 8.906 8.270 -0.008 0.000 0.732 99 R N -2.838 117.653 120.500 -0.014 0.000 2.728 99 R HA 0.208 4.539 4.340 -0.017 0.000 0.274 99 R C -2.297 173.993 176.300 -0.017 0.000 1.030 99 R CA -0.856 55.235 56.100 -0.015 0.000 0.876 99 R CB 2.185 32.477 30.300 -0.013 0.000 1.259 99 R HN 0.123 8.338 8.270 -0.014 0.046 0.468 100 K N -0.273 120.117 120.400 -0.018 0.000 2.609 100 K HA 0.244 4.554 4.320 -0.016 0.000 0.261 100 K C -2.354 174.235 176.600 -0.017 0.000 0.945 100 K CA -0.742 55.534 56.287 -0.018 0.000 0.898 100 K CB 1.862 34.349 32.500 -0.023 0.000 1.349 100 K HN 0.034 8.274 8.250 -0.017 0.000 0.420 101 P HA -0.085 4.328 4.420 -0.012 0.000 0.210 101 P C -0.956 176.336 177.300 -0.014 0.000 1.189 101 P CA 0.499 63.591 63.100 -0.013 0.000 0.920 101 P CB 0.180 31.874 31.700 -0.011 0.000 0.782 102 C N -5.208 114.083 119.300 -0.014 0.000 0.168 102 C HA -0.535 3.916 4.460 -0.014 0.000 0.017 102 C C -0.090 174.894 174.990 -0.011 0.000 0.171 102 C CA 1.371 60.380 59.018 -0.014 0.000 0.499 102 C CB 0.543 28.272 27.740 -0.018 0.000 3.212 102 C HN -0.164 8.058 8.230 -0.014 0.000 1.118 103 S N -1.422 114.272 115.700 -0.009 0.000 6.667 103 S HA 0.020 4.486 4.470 -0.007 0.000 0.084 103 S C -1.905 172.692 174.600 -0.004 0.000 1.309 103 S CA -0.155 58.041 58.200 -0.006 0.000 1.259 103 S CB 0.997 64.194 63.200 -0.005 0.000 1.772 103 S HN 0.406 8.989 8.310 -0.010 -0.279 0.565 104 R N 0.448 120.947 120.500 -0.002 0.000 2.692 104 R HA 0.269 4.629 4.340 0.002 -0.019 0.269 104 R C -2.094 174.208 176.300 0.003 0.000 1.030 104 R CA -2.090 54.011 56.100 0.002 0.000 0.882 104 R CB 2.282 32.584 30.300 0.005 0.000 1.250 104 R HN -0.227 8.042 8.270 -0.003 0.000 0.465 105 P HA -0.147 4.274 4.420 0.002 0.000 0.205 105 P C -0.494 176.811 177.300 0.007 0.000 1.181 105 P CA 1.934 65.037 63.100 0.006 0.000 0.933 105 P CB 0.702 32.409 31.700 0.012 0.000 0.775 106 L N -8.056 113.174 121.223 0.012 0.000 2.186 106 L HA 0.151 4.498 4.340 0.011 0.000 0.182 106 L C -0.348 176.531 176.870 0.015 0.000 1.190 106 L CA 0.510 55.358 54.840 0.014 0.000 1.051 106 L CB 0.856 42.928 42.059 0.020 0.000 2.162 106 L HN -0.521 7.718 8.230 0.015 0.000 0.494 107 S N -1.435 114.276 115.700 0.019 0.000 2.566 107 S HA 0.131 4.609 4.470 0.014 0.000 0.277 107 S C 0.324 174.933 174.600 0.015 0.000 1.150 107 S CA -0.903 57.307 58.200 0.017 0.000 1.032 107 S CB 1.199 64.412 63.200 0.020 0.000 1.157 107 S HN -0.633 7.691 8.310 0.022 0.000 0.507 108 S N 1.754 117.462 115.700 0.014 0.000 2.603 108 S HA 0.026 4.502 4.470 0.011 0.000 0.229 108 S C 0.428 175.038 174.600 0.017 0.000 0.972 108 S CA 0.772 58.980 58.200 0.013 0.000 0.935 108 S CB -0.100 63.107 63.200 0.012 0.000 0.769 108 S HN 0.248 8.567 8.310 0.014 0.000 0.536 109 I N -1.359 119.224 120.570 0.020 0.000 3.112 109 I HA -0.075 4.111 4.170 0.027 0.000 0.284 109 I C -0.873 175.258 176.117 0.022 0.000 1.227 109 I CA 0.884 62.199 61.300 0.025 0.000 1.369 109 I CB -0.381 37.638 38.000 0.030 0.000 1.376 109 I HN -0.536 7.605 8.210 0.021 0.081 0.608 110 L N -0.447 120.792 121.223 0.026 0.000 0.588 110 L HA -0.363 3.994 4.340 0.028 0.000 0.356 110 L C -1.415 175.465 176.870 0.017 0.000 1.004 110 L CA 0.892 55.746 54.840 0.022 0.000 1.223 110 L CB -0.022 42.047 42.059 0.017 0.000 0.066 110 L HN 0.132 8.381 8.230 0.032 0.000 0.099 111 G N 1.517 110.326 108.800 0.014 0.000 2.482 111 G HA2 0.285 4.251 3.960 0.009 0.000 0.184 111 G HA3 0.285 4.252 3.960 0.011 0.000 0.184 111 G C -1.978 172.923 174.900 0.001 0.000 1.331 111 G CA 0.574 45.679 45.100 0.009 0.000 0.668 111 G HN 0.302 8.602 8.290 0.016 0.000 0.631 112 R N -2.503 117.995 120.500 -0.004 0.000 2.907 112 R HA 0.160 4.493 4.340 -0.013 0.000 0.246 112 R C -2.794 173.492 176.300 -0.024 0.000 1.082 112 R CA -0.514 55.578 56.100 -0.014 0.000 1.003 112 R CB 1.705 31.995 30.300 -0.015 0.000 1.261 112 R HN -0.570 7.585 8.270 -0.001 0.115 0.474 113 S N 3.161 118.843 115.700 -0.030 0.000 2.480 113 S HA 0.680 5.355 4.470 -0.050 -0.236 0.286 113 S C -0.392 174.173 174.600 -0.059 0.000 1.180 113 S CA -1.406 56.767 58.200 -0.044 0.000 1.075 113 S CB 1.807 64.987 63.200 -0.034 0.000 0.996 113 S HN 0.208 8.502 8.310 -0.026 0.000 0.487 114 N N 4.414 123.066 118.700 -0.080 0.000 2.426 114 N HA 0.303 4.995 4.740 -0.079 0.000 0.275 114 N C -1.273 174.171 175.510 -0.111 0.000 1.019 114 N CA -0.711 52.285 53.050 -0.090 0.000 0.941 114 N CB 1.925 40.358 38.487 -0.089 0.000 1.123 114 N HN 0.574 8.788 8.380 -0.092 0.111 0.486 115 L N 0.592 121.745 121.223 -0.116 0.000 2.843 115 L HA 0.444 4.706 4.340 -0.130 0.000 0.234 115 L C -0.455 176.294 176.870 -0.203 0.000 1.264 115 L CA -1.335 53.427 54.840 -0.131 0.000 1.052 115 L CB -0.963 41.039 42.059 -0.095 0.000 1.372 115 L HN 0.180 8.346 8.230 -0.106 0.000 0.466 116 K N 1.423 121.661 120.400 -0.271 0.000 2.021 116 K HA -0.130 3.857 4.320 -0.555 0.000 0.205 116 K C 0.220 176.295 176.600 -0.874 0.000 1.047 116 K CA 2.126 58.069 56.287 -0.573 0.000 0.943 116 K CB 0.686 32.886 32.500 -0.501 0.000 0.725 116 K HN -0.123 8.005 8.250 -0.204 0.000 0.439 117 F N -2.101 117.835 119.950 -0.023 0.000 2.627 117 F HA 0.215 4.737 4.527 -0.008 0.000 0.344 117 F C -1.681 174.079 175.800 -0.066 0.000 1.505 117 F CA -1.701 56.292 58.000 -0.012 0.000 1.111 117 F CB 0.543 39.568 39.000 0.041 0.000 1.585 117 F HN -0.452 7.779 8.300 -0.116 0.000 0.582 118 A N 0.364 123.188 122.820 0.008 0.000 2.386 118 A HA -0.026 4.260 4.320 -0.173 -0.070 0.248 118 A C 0.521 178.106 177.584 0.001 0.000 1.082 118 A CA 0.007 52.006 52.037 -0.063 0.000 0.789 118 A CB 0.993 19.952 19.000 -0.067 0.000 1.025 118 A HN -0.352 7.783 8.150 -0.026 0.000 0.490 119 G N 1.967 110.755 108.800 -0.020 0.000 2.374 119 G HA2 -0.349 3.613 3.960 0.003 0.000 0.289 119 G HA3 -0.349 3.627 3.960 0.026 0.000 0.289 119 G C -0.774 174.152 174.900 0.044 0.000 1.004 119 G CA 0.396 45.506 45.100 0.016 0.000 1.292 119 G HN -0.070 8.175 8.290 -0.075 0.000 0.502 120 M N 1.755 121.394 119.600 0.064 0.000 2.053 120 M HA 0.502 5.018 4.480 0.060 0.000 0.297 120 M C -2.861 173.482 176.300 0.071 0.000 0.921 120 M CA -3.036 52.310 55.300 0.077 0.000 0.918 120 M CB 3.052 35.717 32.600 0.108 0.000 1.499 120 M HN -0.569 7.761 8.290 0.066 0.000 0.422 121 P HA -0.035 4.409 4.420 0.041 0.000 0.262 121 P C -1.809 175.511 177.300 0.032 0.000 1.199 121 P CA 0.660 63.782 63.100 0.037 0.000 0.763 121 P CB -0.542 31.174 31.700 0.027 0.000 0.790 122 I N -1.053 119.538 120.570 0.034 0.000 3.066 122 I HA 0.423 4.672 4.170 0.006 -0.076 0.307 122 I C -2.176 173.948 176.117 0.012 0.000 1.366 122 I CA -1.703 59.605 61.300 0.014 0.000 0.972 122 I CB 4.293 42.296 38.000 0.005 0.000 1.307 122 I HN 0.145 8.381 8.210 0.043 0.000 0.470 123 T N 2.197 116.746 114.554 -0.008 0.000 2.747 123 T HA 0.219 4.718 4.350 0.017 -0.139 0.301 123 T C -0.544 174.133 174.700 -0.038 0.000 0.952 123 T CA -0.859 61.234 62.100 -0.011 0.000 0.983 123 T CB -0.851 68.000 68.868 -0.027 0.000 0.930 123 T HN 0.598 8.827 8.240 -0.018 0.000 0.494 124 L N 7.810 129.018 121.223 -0.024 0.000 2.276 124 L HA 0.233 4.517 4.340 -0.094 0.000 0.286 124 L C -1.921 174.897 176.870 -0.087 0.000 1.061 124 L CA -1.052 53.751 54.840 -0.063 0.000 0.807 124 L CB 1.464 43.498 42.059 -0.041 0.000 1.177 124 L HN 0.363 8.602 8.230 0.017 0.000 0.429 125 T N 8.243 122.716 114.554 -0.135 0.000 2.758 125 T HA 0.182 4.434 4.350 -0.164 0.000 0.285 125 T C -2.377 172.171 174.700 -0.253 0.000 0.981 125 T CA 0.305 62.302 62.100 -0.172 0.000 0.965 125 T CB 1.116 69.894 68.868 -0.150 0.000 0.927 125 T HN 0.728 8.887 8.240 -0.135 0.000 0.448 126 V N 7.790 127.487 119.914 -0.362 0.000 2.394 126 V HA 0.180 3.989 4.120 -0.518 0.000 0.282 126 V C -2.438 173.404 176.094 -0.420 0.000 1.031 126 V CA -1.231 60.720 62.300 -0.582 0.000 0.881 126 V CB 1.924 32.976 31.823 -1.285 0.000 0.982 126 V HN -0.180 7.710 8.190 -0.319 0.108 0.451 127 S N 7.720 123.225 115.700 -0.325 0.000 2.632 127 S HA 0.400 4.767 4.470 -0.172 0.000 0.289 127 S C -1.247 173.259 174.600 -0.157 0.000 1.115 127 S CA -1.931 56.150 58.200 -0.199 0.000 0.889 127 S CB 3.011 66.118 63.200 -0.156 0.000 1.116 127 S HN 0.083 8.192 8.310 -0.335 0.000 0.486 128 T N 0.416 114.915 114.554 -0.092 0.000 2.695 128 T HA -0.280 4.194 4.350 -0.045 -0.151 0.264 128 T C 1.040 175.674 174.700 -0.110 0.000 0.993 128 T CA 0.938 62.998 62.100 -0.067 0.000 1.248 128 T CB -1.450 67.400 68.868 -0.030 0.000 0.946 128 T HN 0.353 8.548 8.240 -0.076 0.000 0.526 129 S N 4.496 120.097 115.700 -0.164 0.000 3.711 129 S HA -0.299 4.023 4.470 -0.247 0.000 0.374 129 S C -1.041 173.491 174.600 -0.113 0.000 0.969 129 S CA 1.670 59.753 58.200 -0.194 0.000 1.198 129 S CB -0.939 62.132 63.200 -0.215 0.000 0.903 129 S HN 0.092 8.302 8.310 -0.168 0.000 0.493 130 S N -1.682 113.950 115.700 -0.113 0.000 2.354 130 S HA 0.015 4.476 4.470 -0.016 0.000 0.306 130 S C -2.722 171.800 174.600 -0.130 0.000 0.900 130 S CA 0.564 58.715 58.200 -0.081 0.000 0.921 130 S CB 1.916 65.062 63.200 -0.090 0.000 1.209 130 S HN -0.439 7.784 8.310 -0.145 0.000 0.433 131 L N 5.890 127.053 121.223 -0.100 0.000 2.316 131 L HA 0.510 4.885 4.340 -0.206 -0.159 0.280 131 L C -1.730 175.077 176.870 -0.105 0.000 1.006 131 L CA -0.837 53.913 54.840 -0.150 0.000 0.836 131 L CB 2.437 44.398 42.059 -0.163 0.000 1.221 131 L HN 0.421 8.630 8.230 -0.034 0.000 0.418 132 N N 3.880 122.501 118.700 -0.133 0.000 2.399 132 N HA 0.237 4.946 4.740 -0.053 0.000 0.295 132 N C -1.716 173.724 175.510 -0.117 0.000 1.048 132 N CA -0.542 52.445 53.050 -0.105 0.000 0.886 132 N CB 1.815 40.222 38.487 -0.133 0.000 1.185 132 N HN -0.113 8.169 8.380 -0.163 0.000 0.487 133 L N 1.462 122.620 121.223 -0.108 0.000 2.334 133 L HA 0.505 4.886 4.340 -0.117 -0.111 0.270 133 L C -0.472 176.344 176.870 -0.089 0.000 1.018 133 L CA -0.913 53.857 54.840 -0.118 0.000 0.811 133 L CB 2.712 44.671 42.059 -0.166 0.000 1.271 133 L HN -0.110 8.067 8.230 -0.088 0.000 0.443 134 M N 1.204 120.758 119.600 -0.077 0.000 2.124 134 M HA 0.259 4.772 4.480 -0.061 -0.070 0.280 134 M C -1.705 174.565 176.300 -0.050 0.000 0.954 134 M CA -0.916 54.348 55.300 -0.061 0.000 0.958 134 M CB 3.380 35.945 32.600 -0.058 0.000 1.611 134 M HN 0.388 8.632 8.290 -0.076 0.000 0.449 135 A N 4.200 126.989 122.820 -0.051 0.000 2.513 135 A HA -0.070 4.228 4.320 -0.037 0.000 0.274 135 A C -0.329 177.235 177.584 -0.033 0.000 1.115 135 A CA 0.934 52.945 52.037 -0.044 0.000 0.792 135 A CB -0.191 18.773 19.000 -0.059 0.000 1.053 135 A HN 0.655 8.714 8.150 -0.056 0.057 0.515 136 A N 6.690 129.498 122.820 -0.020 0.000 1.832 136 A HA -0.245 4.065 4.320 -0.017 0.000 0.214 136 A C 1.521 179.097 177.584 -0.014 0.000 1.204 136 A CA 2.809 54.838 52.037 -0.013 0.000 0.606 136 A CB -0.134 18.866 19.000 -0.001 0.000 0.849 136 A HN 0.412 8.554 8.150 -0.014 0.000 0.445 137 D N -1.582 118.811 120.400 -0.010 0.000 2.162 137 D HA -0.144 4.491 4.640 -0.008 0.000 0.203 137 D C 1.705 177.992 176.300 -0.022 0.000 0.967 137 D CA 2.208 56.201 54.000 -0.011 0.000 0.840 137 D CB 0.031 40.829 40.800 -0.003 0.000 0.972 137 D HN -0.643 7.723 8.370 -0.006 0.000 0.482 138 C N -1.875 117.404 119.300 -0.034 0.000 2.422 138 C HA -0.173 4.257 4.460 -0.050 0.000 0.286 138 C C -0.501 174.462 174.990 -0.044 0.000 1.412 138 C CA 1.177 60.164 59.018 -0.051 0.000 1.786 138 C CB 0.226 27.917 27.740 -0.082 0.000 1.835 138 C HN -0.061 8.149 8.230 -0.033 0.000 0.533 139 K N -3.040 117.339 120.400 -0.035 0.000 3.181 139 K HA -0.355 3.948 4.320 -0.028 0.000 0.269 139 K C -1.675 174.903 176.600 -0.036 0.000 1.097 139 K CA 1.002 57.270 56.287 -0.031 0.000 0.783 139 K CB -2.062 30.423 32.500 -0.026 0.000 1.267 139 K HN 0.018 8.199 8.250 -0.032 0.050 0.484 140 Q N -3.848 115.927 119.800 -0.042 0.000 2.833 140 Q HA 0.206 4.522 4.340 -0.039 0.000 0.340 140 Q C -1.930 174.042 176.000 -0.047 0.000 0.800 140 Q CA -1.624 54.152 55.803 -0.045 0.000 0.821 140 Q CB 2.383 31.089 28.738 -0.053 0.000 1.340 140 Q HN -0.354 7.891 8.270 -0.042 0.000 0.515 141 I N -1.464 119.077 120.570 -0.048 0.000 2.582 141 I HA 0.145 4.362 4.170 -0.053 -0.080 0.292 141 I C -1.307 174.780 176.117 -0.051 0.000 1.066 141 I CA -1.381 59.890 61.300 -0.049 0.000 1.053 141 I CB 3.525 41.498 38.000 -0.044 0.000 1.241 141 I HN -0.079 8.104 8.210 -0.045 0.000 0.421 142 I N 4.612 125.146 120.570 -0.060 0.000 2.336 142 I HA 0.238 4.374 4.170 -0.057 0.000 0.292 142 I C -1.349 174.741 176.117 -0.043 0.000 0.991 142 I CA -2.123 59.139 61.300 -0.064 0.000 1.227 142 I CB -0.018 37.925 38.000 -0.094 0.000 1.366 142 I HN 0.111 8.175 8.210 -0.066 0.108 0.466 143 A N 7.918 130.727 122.820 -0.019 0.000 2.256 143 A HA 0.152 4.529 4.320 0.096 0.000 0.317 143 A C -1.360 176.224 177.584 0.001 0.000 1.318 143 A CA -0.283 51.786 52.037 0.054 0.000 0.894 143 A CB 0.590 19.643 19.000 0.089 0.000 1.165 143 A HN 0.348 8.479 8.150 -0.031 0.000 0.525 144 N N 5.776 124.513 118.700 0.062 0.000 2.701 144 N HA 0.150 4.769 4.740 -0.201 0.000 0.258 144 N C -1.720 173.810 175.510 0.034 0.000 1.262 144 N CA 0.895 53.904 53.050 -0.068 0.000 0.780 144 N CB 1.665 40.084 38.487 -0.112 0.000 1.380 144 N HN 0.317 8.799 8.380 0.169 0.000 0.548 145 H N -0.633 118.430 119.070 -0.011 0.000 2.616 145 H HA 0.427 4.989 4.556 0.010 0.000 0.229 145 H C -1.048 174.387 175.328 0.178 0.000 1.418 145 H CA -0.517 55.558 56.048 0.044 0.000 1.248 145 H CB -1.194 28.581 29.762 0.023 0.000 1.822 145 H HN -0.105 7.785 8.280 -0.649 0.000 0.522 146 H N 0.922 119.966 119.070 -0.044 0.000 2.516 146 H HA 0.008 4.563 4.556 -0.002 0.000 0.284 146 H C -0.737 174.660 175.328 0.114 0.000 0.999 146 H CA 1.156 57.205 56.048 0.003 0.000 1.303 146 H CB 1.581 31.317 29.762 -0.043 0.000 1.452 146 H HN -0.004 8.348 8.280 0.120 0.000 0.530 147 M N -3.531 116.180 119.600 0.184 0.000 2.535 147 M HA 0.207 4.774 4.480 0.145 0.000 0.314 147 M C -1.499 174.842 176.300 0.068 0.000 1.153 147 M CA -0.627 54.749 55.300 0.127 0.000 0.924 147 M CB 3.137 35.805 32.600 0.114 0.000 1.710 147 M HN -0.640 7.745 8.290 0.158 0.000 0.451 148 Q N 0.399 120.211 119.800 0.020 0.000 3.394 148 Q HA 0.188 4.510 4.340 -0.030 0.000 0.285 148 Q C -1.526 174.426 176.000 -0.080 0.000 0.866 148 Q CA -0.157 55.612 55.803 -0.056 0.000 0.844 148 Q CB 0.397 29.053 28.738 -0.137 0.000 1.472 148 Q HN 0.474 8.760 8.270 0.027 0.000 0.401 149 S N 1.642 117.359 115.700 0.028 0.000 2.774 149 S HA 0.274 4.804 4.470 0.099 0.000 0.297 149 S C -1.417 173.273 174.600 0.151 0.000 1.143 149 S CA -0.195 58.068 58.200 0.105 0.000 1.090 149 S CB 0.371 63.657 63.200 0.145 0.000 1.019 149 S HN -0.034 8.309 8.310 0.056 0.000 0.482 150 I N 2.091 122.767 120.570 0.177 0.000 2.595 150 I HA 0.460 4.724 4.170 0.156 0.000 0.276 150 I C -1.532 174.674 176.117 0.147 0.000 1.109 150 I CA -0.561 60.841 61.300 0.171 0.000 1.084 150 I CB -0.014 38.113 38.000 0.213 0.000 1.206 150 I HN 0.213 8.535 8.210 0.186 0.000 0.486 151 S N 5.099 120.874 115.700 0.126 0.000 3.600 151 S HA 0.032 4.473 4.470 -0.050 0.000 0.179 151 S C -0.143 174.399 174.600 -0.097 0.000 0.816 151 S CA -0.098 58.121 58.200 0.032 0.000 0.916 151 S CB 0.970 64.271 63.200 0.169 0.000 1.164 151 S HN -0.042 8.361 8.310 0.156 0.000 0.709 152 F N 3.116 123.094 119.950 0.047 0.000 2.415 152 F HA 0.092 4.618 4.527 -0.002 0.000 0.348 152 F C -1.177 174.647 175.800 0.039 0.000 1.119 152 F CA -0.109 57.909 58.000 0.029 0.000 1.069 152 F CB 1.131 40.158 39.000 0.046 0.000 1.124 152 F HN -0.300 8.179 8.300 0.298 0.000 0.472 153 A N 5.219 128.177 122.820 0.230 0.000 3.445 153 A HA 0.041 4.469 4.320 0.179 0.000 0.184 153 A C -1.996 175.646 177.584 0.097 0.000 1.331 153 A CA 0.491 52.622 52.037 0.156 0.000 1.364 153 A CB 0.581 19.655 19.000 0.125 0.000 1.117 153 A HN 0.404 8.665 8.150 0.186 0.000 0.502 154 S N 1.530 117.241 115.700 0.018 0.000 2.730 154 S HA 0.103 4.579 4.470 0.010 0.000 0.150 154 S C 1.028 175.560 174.600 -0.114 0.000 1.139 154 S CA -0.740 57.449 58.200 -0.018 0.000 1.155 154 S CB 0.331 63.540 63.200 0.015 0.000 1.682 154 S HN -0.194 8.104 8.310 -0.020 0.000 0.452 155 G N 1.262 109.973 108.800 -0.148 0.000 2.529 155 G HA2 -0.287 3.499 3.960 -0.290 0.000 0.219 155 G HA3 -0.287 3.527 3.960 -0.244 0.000 0.219 155 G C -1.270 173.512 174.900 -0.197 0.000 1.177 155 G CA 1.740 46.703 45.100 -0.228 0.000 0.773 155 G HN 0.291 8.510 8.290 -0.118 0.000 0.573 156 G N -5.347 103.379 108.800 -0.124 0.000 4.665 156 G HA2 -0.037 3.919 3.960 -0.069 0.000 0.227 156 G HA3 -0.037 3.970 3.960 -0.104 -0.109 0.227 156 G C -2.139 172.733 174.900 -0.048 0.000 2.385 156 G CA -0.137 44.911 45.100 -0.086 0.000 0.869 156 G HN -0.427 7.803 8.290 -0.101 0.000 0.344 157 D N -1.289 119.095 120.400 -0.027 0.000 2.630 157 D HA 0.182 4.818 4.640 -0.007 0.000 0.137 157 D C -2.307 173.999 176.300 0.009 0.000 1.483 157 D CA 0.725 54.719 54.000 -0.009 0.000 1.490 157 D CB 1.148 41.939 40.800 -0.014 0.000 1.894 157 D HN -0.588 7.765 8.370 -0.027 0.000 0.269 158 P HA 0.100 4.530 4.420 0.018 0.000 0.273 158 P C -1.759 175.564 177.300 0.038 0.000 1.428 158 P CA 0.623 63.739 63.100 0.026 0.000 0.995 158 P CB -0.588 31.137 31.700 0.041 0.000 1.286 159 D N 0.923 121.347 120.400 0.040 0.000 2.278 159 D HA 0.052 4.730 4.640 0.063 0.000 0.228 159 D C -0.214 176.115 176.300 0.049 0.000 1.364 159 D CA 1.311 55.347 54.000 0.060 0.000 1.345 159 D CB 1.901 42.755 40.800 0.089 0.000 1.961 159 D HN -0.175 8.214 8.370 0.031 0.000 0.396 160 T N -1.635 112.946 114.554 0.044 0.000 3.908 160 T HA 0.144 4.495 4.350 0.002 0.000 0.282 160 T C -0.776 173.936 174.700 0.020 0.000 0.854 160 T CA 1.487 63.598 62.100 0.018 0.000 1.194 160 T CB 1.726 70.591 68.868 -0.005 0.000 0.975 160 T HN -0.102 8.170 8.240 0.052 0.000 0.426 161 A N 2.080 124.930 122.820 0.051 0.000 2.665 161 A HA 0.195 4.534 4.320 0.033 0.000 0.166 161 A C -1.774 175.859 177.584 0.082 0.000 1.431 161 A CA 0.969 53.035 52.037 0.048 0.000 1.883 161 A CB 0.173 19.190 19.000 0.029 0.000 1.829 161 A HN -0.519 7.791 8.150 0.086 -0.108 0.825 162 E N 0.076 120.362 120.200 0.144 0.000 3.385 162 E HA 0.250 4.666 4.350 0.110 0.000 0.206 162 E C -1.181 175.604 176.600 0.309 0.000 0.997 162 E CA -0.348 56.155 56.400 0.173 0.000 1.278 162 E CB 0.635 30.421 29.700 0.144 0.000 1.165 162 E HN 0.157 8.609 8.360 0.153 0.000 0.452 163 Y N -1.233 119.090 120.300 0.037 0.000 2.477 163 Y HA 0.131 4.719 4.550 0.064 0.000 0.347 163 Y C -1.270 174.679 175.900 0.082 0.000 0.981 163 Y CA -0.411 57.724 58.100 0.059 0.000 1.033 163 Y CB 3.571 42.063 38.460 0.053 0.000 1.245 163 Y HN -0.756 7.822 8.280 0.267 -0.137 0.455 164 V N 2.176 122.174 119.914 0.141 0.000 2.394 164 V HA 0.111 4.318 4.120 0.144 0.000 0.282 164 V C -1.976 174.314 176.094 0.328 0.000 1.031 164 V CA -0.819 61.604 62.300 0.205 0.000 0.881 164 V CB 1.172 33.160 31.823 0.273 0.000 0.982 164 V HN 0.193 8.371 8.190 -0.020 0.000 0.451 165 A N 6.339 129.318 122.820 0.265 0.000 2.350 165 A HA 0.516 5.089 4.320 0.422 0.000 0.324 165 A C -1.351 176.421 177.584 0.313 0.000 1.118 165 A CA -1.665 50.569 52.037 0.329 0.000 0.783 165 A CB 3.201 22.326 19.000 0.209 0.000 1.236 165 A HN 0.080 8.316 8.150 0.143 0.000 0.457 166 Y N 1.118 121.523 120.300 0.175 0.000 2.549 166 Y HA 0.305 4.947 4.550 0.153 0.000 0.339 166 Y C -1.367 174.645 175.900 0.187 0.000 1.053 166 Y CA -1.172 57.034 58.100 0.178 0.000 1.105 166 Y CB 3.829 42.404 38.460 0.191 0.000 1.258 166 Y HN 0.791 9.426 8.280 0.592 0.000 0.478 167 V N 1.428 121.522 119.914 0.300 0.000 2.588 167 V HA 0.296 4.574 4.120 0.264 0.000 0.304 167 V C -2.504 173.727 176.094 0.229 0.000 1.042 167 V CA -1.743 60.703 62.300 0.244 0.000 0.877 167 V CB 3.377 35.309 31.823 0.181 0.000 0.996 167 V HN 0.247 8.595 8.190 0.264 0.000 0.425 168 A N 7.230 130.186 122.820 0.228 0.000 2.446 168 A HA 0.530 4.947 4.320 0.162 0.000 0.282 168 A C -2.368 175.319 177.584 0.173 0.000 1.102 168 A CA -0.531 51.617 52.037 0.186 0.000 0.737 168 A CB 1.779 20.874 19.000 0.159 0.000 1.212 168 A HN -0.078 8.221 8.150 0.248 0.000 0.434 169 K N 2.396 122.884 120.400 0.146 0.000 2.865 169 K HA 0.237 4.634 4.320 0.128 0.000 0.215 169 K C -1.767 174.902 176.600 0.115 0.000 1.120 169 K CA -0.785 55.578 56.287 0.127 0.000 1.037 169 K CB 0.072 32.643 32.500 0.118 0.000 1.233 169 K HN 0.080 8.416 8.250 0.144 0.000 0.577 170 D N 3.736 124.204 120.400 0.113 0.000 2.107 170 D HA 0.067 4.772 4.640 0.108 0.000 0.204 170 D C -0.448 175.907 176.300 0.092 0.000 0.978 170 D CA 2.051 56.115 54.000 0.106 0.000 0.852 170 D CB -0.826 40.041 40.800 0.112 0.000 1.008 170 D HN 0.468 8.909 8.370 0.118 0.000 0.458 171 P HA 0.100 4.558 4.420 0.064 0.000 0.279 171 P C -1.267 176.071 177.300 0.063 0.000 1.282 171 P CA -0.823 62.318 63.100 0.068 0.000 0.788 171 P CB 1.023 32.760 31.700 0.061 0.000 1.139 172 V N -1.298 118.647 119.914 0.051 0.000 2.894 172 V HA 0.081 4.231 4.120 0.051 0.000 0.373 172 V C -1.003 175.116 176.094 0.040 0.000 1.286 172 V CA -0.194 62.133 62.300 0.046 0.000 1.331 172 V CB -0.350 31.496 31.823 0.038 0.000 1.415 172 V HN -0.034 8.185 8.190 0.047 0.000 0.585 173 N N 1.427 120.154 118.700 0.044 0.000 2.595 173 N HA 0.101 4.861 4.740 0.035 0.000 0.291 173 N C -0.874 174.662 175.510 0.044 0.000 1.706 173 N CA 0.008 53.081 53.050 0.039 0.000 0.867 173 N CB 0.759 39.266 38.487 0.034 0.000 1.414 173 N HN 0.095 8.433 8.380 0.051 0.074 0.492 174 Q N 0.203 120.034 119.800 0.051 0.000 0.000 174 Q HA -0.080 4.288 4.340 0.048 0.000 0.000 174 Q C -1.734 174.306 176.000 0.066 0.000 0.000 174 Q CA 0.583 56.421 55.803 0.057 0.000 0.000 174 Q CB 1.265 30.044 28.738 0.067 0.000 0.000 174 Q HN -0.221 8.081 8.270 0.053 0.000 0.000 175 R N -1.404 119.146 120.500 0.083 0.000 1.972 175 R HA -0.364 4.044 4.340 0.112 0.000 0.357 175 R C -1.846 174.514 176.300 0.099 0.000 1.200 175 R CA 0.452 56.610 56.100 0.096 0.000 1.089 175 R CB -1.902 28.448 30.300 0.083 0.000 3.139 175 R HN 0.050 8.373 8.270 0.087 0.000 0.492 176 A N 1.602 124.501 122.820 0.132 0.000 2.527 176 A HA 0.457 4.831 4.320 0.089 0.000 0.293 176 A C -2.463 175.242 177.584 0.202 0.000 1.117 176 A CA -0.956 51.154 52.037 0.123 0.000 0.723 176 A CB 4.151 23.201 19.000 0.083 0.000 1.313 176 A HN 0.112 8.357 8.150 0.158 0.000 0.411 177 C N -1.767 117.630 119.300 0.163 0.000 2.719 177 C HA 0.576 5.281 4.460 0.410 0.000 0.327 177 C C -0.970 174.152 174.990 0.219 0.000 1.238 177 C CA -1.980 57.204 59.018 0.278 0.000 1.727 177 C CB 3.695 31.556 27.740 0.203 0.000 2.256 177 C HN 0.041 8.316 8.230 0.076 0.000 0.489 178 H N -1.069 118.122 119.070 0.202 0.000 2.865 178 H HA 0.263 4.909 4.556 0.151 0.000 0.372 178 H C -1.749 173.702 175.328 0.205 0.000 1.173 178 H CA -1.251 54.916 56.048 0.198 0.000 1.147 178 H CB 3.633 33.549 29.762 0.256 0.000 1.805 178 H HN -0.053 8.545 8.280 0.530 0.000 0.553 179 I N -1.326 119.383 120.570 0.232 0.000 2.603 179 I HA 0.488 4.939 4.170 0.305 -0.097 0.300 179 I C -1.835 174.347 176.117 0.109 0.000 1.017 179 I CA -2.340 59.078 61.300 0.197 0.000 1.098 179 I CB 2.219 40.310 38.000 0.153 0.000 1.279 179 I HN -0.024 8.270 8.210 0.140 0.000 0.437 180 L N 3.092 124.391 121.223 0.127 0.000 2.465 180 L HA 0.625 5.112 4.340 0.029 -0.129 0.257 180 L C -2.887 173.970 176.870 -0.021 0.000 0.988 180 L CA -1.105 53.763 54.840 0.047 0.000 0.827 180 L CB 4.540 46.566 42.059 -0.055 0.000 1.397 180 L HN 0.978 9.346 8.230 0.231 0.000 0.410 181 E N 1.265 121.407 120.200 -0.097 0.000 2.199 181 E HA 0.385 4.573 4.350 -0.271 0.000 0.265 181 E C -2.117 174.443 176.600 -0.066 0.000 0.882 181 E CA -2.194 54.083 56.400 -0.205 0.000 0.759 181 E CB 4.046 33.540 29.700 -0.344 0.000 1.148 181 E HN 0.171 8.401 8.360 -0.045 0.103 0.412 182 C N 6.000 125.274 119.300 -0.044 0.000 2.203 182 C HA 0.458 4.929 4.460 0.018 0.000 0.325 182 C C -1.088 173.882 174.990 -0.035 0.000 1.156 182 C CA -2.781 56.233 59.018 -0.006 0.000 1.597 182 C CB 0.011 27.764 27.740 0.021 0.000 2.148 182 C HN 0.811 9.000 8.230 -0.069 0.000 0.472 183 P HA 0.002 4.404 4.420 -0.030 0.000 0.214 183 P C -1.371 175.902 177.300 -0.045 0.000 1.826 183 P CA -0.356 62.727 63.100 -0.029 0.000 0.977 183 P CB -1.961 29.732 31.700 -0.011 0.000 1.930 184 E N -3.788 116.364 120.200 -0.079 0.000 2.358 184 E HA -0.298 3.965 4.350 -0.145 0.000 0.246 184 E C -0.996 175.446 176.600 -0.264 0.000 1.127 184 E CA 0.966 57.285 56.400 -0.135 0.000 0.726 184 E CB -1.693 27.957 29.700 -0.085 0.000 1.272 184 E HN -0.092 8.165 8.360 -0.069 0.061 0.390 185 G N -4.416 104.202 108.800 -0.304 0.000 2.710 185 G HA2 0.125 3.389 3.960 -1.160 0.000 0.198 185 G HA3 0.125 4.203 3.960 -0.086 -0.170 0.198 185 G C -0.477 174.097 174.900 -0.543 0.000 1.797 185 G CA -0.094 44.684 45.100 -0.536 0.000 0.759 185 G HN -0.610 7.570 8.290 -0.184 0.000 0.808 186 L N 2.995 124.250 121.223 0.053 0.000 2.349 186 L HA -0.226 4.353 4.340 0.398 0.000 0.220 186 L C 1.505 178.439 176.870 0.107 0.000 1.130 186 L CA 1.502 56.480 54.840 0.230 0.000 0.791 186 L CB -0.666 41.587 42.059 0.323 0.000 0.918 186 L HN 0.102 8.413 8.230 0.135 0.000 0.444 187 A N -2.144 120.668 122.820 -0.012 0.000 2.038 187 A HA -0.536 3.789 4.320 0.008 0.000 0.224 187 A C 1.849 179.412 177.584 -0.035 0.000 1.190 187 A CA 2.821 54.841 52.037 -0.029 0.000 0.668 187 A CB -1.077 17.877 19.000 -0.077 0.000 0.820 187 A HN 0.297 8.362 8.150 -0.050 0.055 0.474 188 Q N -2.925 116.845 119.800 -0.049 0.000 2.077 188 Q HA -0.418 3.899 4.340 -0.038 0.000 0.206 188 Q C 2.642 178.631 176.000 -0.019 0.000 0.989 188 Q CA 3.125 58.917 55.803 -0.017 0.000 0.853 188 Q CB -0.203 28.557 28.738 0.037 0.000 0.907 188 Q HN -0.587 7.581 8.270 -0.108 0.037 0.418 189 D N -2.070 118.331 120.400 0.002 0.000 2.259 189 D HA -0.116 4.396 4.640 -0.214 0.000 0.216 189 D C 2.531 178.685 176.300 -0.242 0.000 0.961 189 D CA 2.767 56.656 54.000 -0.184 0.000 0.878 189 D CB 0.652 41.244 40.800 -0.346 0.000 1.009 189 D HN -0.002 8.431 8.370 0.104 0.000 0.490 190 V N -3.285 116.570 119.914 -0.099 0.000 3.078 190 V HA -0.176 3.900 4.120 -0.228 -0.093 0.265 190 V C 0.820 176.853 176.094 -0.102 0.000 1.122 190 V CA 3.010 65.244 62.300 -0.110 0.000 1.141 190 V CB -0.045 31.800 31.823 0.036 0.000 0.735 190 V HN -0.632 7.574 8.190 0.025 0.000 0.498 191 I N -1.216 119.304 120.570 -0.082 0.000 2.628 191 I HA -0.120 4.020 4.170 -0.051 0.000 0.255 191 I C 0.421 176.487 176.117 -0.085 0.000 1.119 191 I CA 1.788 63.049 61.300 -0.065 0.000 1.448 191 I CB 0.762 38.736 38.000 -0.044 0.000 1.133 191 I HN -0.235 7.877 8.210 -0.075 0.053 0.438 192 S N -4.237 111.399 115.700 -0.106 0.000 2.514 192 S HA 0.115 4.528 4.470 -0.094 0.000 0.223 192 S C -0.264 174.237 174.600 -0.164 0.000 1.046 192 S CA 0.591 58.724 58.200 -0.111 0.000 0.914 192 S CB 2.390 65.539 63.200 -0.085 0.000 0.807 192 S HN -0.662 7.583 8.310 -0.109 0.000 0.497 193 T N 2.264 116.681 114.554 -0.228 0.000 3.936 193 T HA -0.368 3.823 4.350 -0.456 -0.114 0.373 193 T C -0.142 174.392 174.700 -0.277 0.000 0.759 193 T CA 0.466 62.369 62.100 -0.327 0.000 2.004 193 T CB -1.094 67.584 68.868 -0.317 0.000 1.792 193 T HN -0.057 7.951 8.240 -0.217 0.101 0.827 194 I N -2.578 117.853 120.570 -0.232 0.000 2.181 194 I HA -0.457 3.634 4.170 -0.132 0.000 0.247 194 I C -0.120 175.892 176.117 -0.175 0.000 1.081 194 I CA 2.172 63.375 61.300 -0.160 0.000 1.340 194 I CB -0.148 37.799 38.000 -0.089 0.000 1.036 194 I HN 0.044 8.116 8.210 -0.231 0.000 0.417 195 G N -5.353 103.310 108.800 -0.228 0.000 2.726 195 G HA2 0.198 4.050 3.960 -0.179 0.000 0.198 195 G HA3 0.198 4.199 3.960 -0.104 -0.104 0.198 195 G C -2.997 171.777 174.900 -0.210 0.000 1.195 195 G CA -0.451 44.542 45.100 -0.178 0.000 0.951 195 G HN -0.837 7.403 8.290 -0.320 -0.143 0.532 196 Q N -3.868 115.907 119.800 -0.041 0.000 2.443 196 Q HA 0.121 4.525 4.340 0.106 0.000 0.241 196 Q C -2.013 174.142 176.000 0.258 0.000 0.880 196 Q CA -1.063 54.797 55.803 0.096 0.000 0.974 196 Q CB 1.492 30.254 28.738 0.040 0.000 1.482 196 Q HN -0.113 8.108 8.270 0.008 0.053 0.448 197 A N 5.511 128.563 122.820 0.385 0.000 2.898 197 A HA -0.167 4.283 4.320 0.217 0.000 0.288 197 A C -1.963 175.734 177.584 0.189 0.000 1.771 197 A CA 0.425 52.613 52.037 0.251 0.000 1.383 197 A CB -1.198 17.907 19.000 0.175 0.000 1.028 197 A HN 0.553 9.086 8.150 0.638 0.000 0.595 198 F N 2.666 122.679 119.950 0.106 0.000 2.577 198 F HA 0.383 4.963 4.527 0.088 0.000 0.344 198 F C -1.215 174.632 175.800 0.078 0.000 1.145 198 F CA -0.741 57.319 58.000 0.100 0.000 0.996 198 F CB 2.429 41.513 39.000 0.141 0.000 1.248 198 F HN 0.009 8.477 8.300 0.311 0.018 0.447 199 E N 5.987 126.426 120.200 0.399 0.000 3.863 199 E HA 0.115 4.594 4.350 0.215 0.000 0.197 199 E C -0.469 176.231 176.600 0.167 0.000 1.299 199 E CA -0.101 56.432 56.400 0.221 0.000 1.522 199 E CB 2.907 32.664 29.700 0.095 0.000 1.732 199 E HN 0.467 8.995 8.360 0.280 0.000 0.560 200 L N 0.725 121.985 121.223 0.063 0.000 3.290 200 L HA -0.297 3.991 4.340 -0.087 0.000 0.575 200 L C -0.604 176.201 176.870 -0.109 0.000 1.005 200 L CA 0.087 54.914 54.840 -0.021 0.000 1.235 200 L CB 0.573 42.663 42.059 0.051 0.000 1.196 200 L HN -0.065 8.187 8.230 0.038 0.000 0.640 201 R N -0.494 119.805 120.500 -0.333 0.000 2.185 201 R HA -0.245 3.933 4.340 -0.269 0.000 0.247 201 R C -0.026 175.998 176.300 -0.461 0.000 1.159 201 R CA 1.889 57.680 56.100 -0.516 0.000 0.988 201 R CB 0.113 29.878 30.300 -0.891 0.000 0.871 201 R HN 0.048 8.111 8.270 -0.346 0.000 0.458 202 F N -3.881 116.087 119.950 0.030 0.000 2.613 202 F HA 0.286 4.825 4.527 0.020 0.000 0.342 202 F C 0.018 175.830 175.800 0.021 0.000 1.066 202 F CA -2.835 55.178 58.000 0.021 0.000 1.002 202 F CB 1.093 40.102 39.000 0.015 0.000 1.319 202 F HN -0.825 7.197 8.300 -0.400 0.038 0.495 203 K N -0.544 119.990 120.400 0.224 0.000 1.975 203 K HA -0.351 4.037 4.320 0.113 0.000 0.225 203 K C 0.009 176.647 176.600 0.064 0.000 1.050 203 K CA 2.502 58.861 56.287 0.119 0.000 0.992 203 K CB 0.429 32.980 32.500 0.084 0.000 0.738 203 K HN 0.286 8.687 8.250 0.253 0.000 0.446 204 Q N -7.183 112.610 119.800 -0.013 0.000 1.962 204 Q HA 0.028 4.214 4.340 -0.257 0.000 0.152 204 Q C 0.284 176.048 176.000 -0.394 0.000 0.582 204 Q CA 0.859 56.497 55.803 -0.276 0.000 0.862 204 Q CB 0.580 29.100 28.738 -0.364 0.000 1.048 204 Q HN -0.287 8.005 8.270 0.036 0.000 0.288 205 Y N -2.477 117.860 120.300 0.062 0.000 2.912 205 Y HA 0.142 4.717 4.550 0.041 0.000 0.250 205 Y C -1.046 174.862 175.900 0.013 0.000 1.073 205 Y CA -0.035 58.084 58.100 0.032 0.000 1.275 205 Y CB 1.024 39.487 38.460 0.005 0.000 1.470 205 Y HN -0.470 7.802 8.280 -0.014 0.000 0.447 206 L N -2.090 119.237 121.223 0.172 0.000 4.001 206 L HA -0.339 4.047 4.340 0.075 0.000 0.413 206 L C -0.855 176.053 176.870 0.064 0.000 1.185 206 L CA 0.641 55.532 54.840 0.085 0.000 0.963 206 L CB -1.071 41.011 42.059 0.038 0.000 1.976 206 L HN -0.323 8.022 8.230 0.191 0.000 0.939 207 R N 0.000 120.550 120.500 0.084 0.000 2.786 207 R HA 0.000 4.351 4.340 0.018 0.000 0.208 207 R CA 0.000 56.118 56.100 0.031 0.000 0.921 207 R CB 0.000 30.306 30.300 0.010 0.000 0.687 207 R HN 0.000 8.323 8.270 0.142 0.032 0.535