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 1rf8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSVEEVSKKF EENVSVDDTT ATPKTVLSDS AHFDVKHPLN TKWTLWYTKP DATA SEQUENCE AVDKSESWSD LLRPVTSFQT VEEFWAIIQN IPEPHELPLK SDYHVFRNDV DATA SEQUENCE RPEWEDEANA KGGKWSFQLC GKGADIDELW LCTLLAVIGE TIDEDDSQIN DATA SEQUENCE GVVLSIRKGG NKFALWTKCE DKEPLLRIGG KFKQVLKLTD DGHLEFFPHC DATA SEQUENCE SANGRHPQPS ITL 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 4.484 4.480 0.007 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 S N 2.815 118.519 115.700 0.006 0.000 2.600 2 S HA 0.582 5.054 4.470 0.004 0.000 0.265 2 S C -1.640 172.964 174.600 0.006 0.000 1.325 2 S CA 0.052 58.255 58.200 0.006 0.000 1.002 2 S CB 0.881 64.085 63.200 0.007 0.000 0.921 2 S HN 0.442 8.757 8.310 0.008 0.000 0.554 3 V N -0.425 119.492 119.914 0.005 0.000 3.156 3 V HA 0.329 4.453 4.120 0.006 0.000 0.311 3 V C -1.140 174.957 176.094 0.006 0.000 1.208 3 V CA -1.602 60.701 62.300 0.005 0.000 1.063 3 V CB 1.776 33.601 31.823 0.004 0.000 1.098 3 V HN -0.305 7.888 8.190 0.004 0.000 0.452 4 E N 1.249 121.453 120.200 0.006 0.000 2.877 4 E HA -0.267 4.087 4.350 0.007 0.000 0.230 4 E C -0.867 175.736 176.600 0.005 0.000 1.126 4 E CA 1.835 58.239 56.400 0.006 0.000 0.946 4 E CB -0.214 29.489 29.700 0.005 0.000 0.965 4 E HN 0.064 8.427 8.360 0.005 0.000 0.529 5 E N 2.710 122.913 120.200 0.006 0.000 3.823 5 E HA 0.135 4.487 4.350 0.003 0.000 0.225 5 E C 0.083 176.687 176.600 0.007 0.000 1.257 5 E CA -0.001 56.402 56.400 0.005 0.000 1.684 5 E CB 1.452 31.154 29.700 0.003 0.000 1.550 5 E HN -0.025 8.340 8.360 0.008 0.000 0.709 6 V N 0.538 120.458 119.914 0.010 0.000 6.216 6 V HA -0.258 3.874 4.120 0.020 0.000 0.313 6 V C -0.678 175.423 176.094 0.011 0.000 0.538 6 V CA 0.453 62.761 62.300 0.014 0.000 0.645 6 V CB -1.044 30.789 31.823 0.016 0.000 0.287 6 V HN 0.355 8.551 8.190 0.010 0.000 0.833 7 S N 0.498 116.201 115.700 0.005 0.000 2.618 7 S HA 0.095 4.564 4.470 -0.000 0.000 0.242 7 S C -0.789 173.806 174.600 -0.008 0.000 0.972 7 S CA 0.421 58.619 58.200 -0.003 0.000 1.004 7 S CB -0.009 63.185 63.200 -0.010 0.000 0.778 7 S HN 0.055 8.368 8.310 0.005 0.000 0.459 8 K N -0.088 120.316 120.400 0.008 0.000 2.527 8 K HA 0.160 4.470 4.320 -0.017 0.000 0.260 8 K C -1.138 175.504 176.600 0.070 0.000 0.937 8 K CA -0.753 55.540 56.287 0.010 0.000 0.826 8 K CB 1.780 34.275 32.500 -0.010 0.000 1.359 8 K HN -0.696 7.467 8.250 0.019 0.098 0.434 9 K N 0.381 120.847 120.400 0.111 0.000 2.446 9 K HA 0.084 4.469 4.320 0.108 0.000 0.203 9 K C -0.456 176.322 176.600 0.297 0.000 1.027 9 K CA 0.764 57.147 56.287 0.160 0.000 1.166 9 K CB -0.292 32.288 32.500 0.134 0.000 0.869 9 K HN 0.478 8.774 8.250 0.078 0.000 0.504 10 F N -0.188 119.762 119.950 0.000 0.000 2.274 10 F HA 0.058 4.585 4.527 0.000 0.000 0.288 10 F C 1.703 177.503 175.800 0.000 0.000 1.069 10 F CA 0.786 58.786 58.000 0.000 0.000 1.343 10 F CB 0.317 39.317 39.000 0.000 0.000 1.089 10 F HN -0.384 8.011 8.300 0.323 0.098 0.517 11 E N -1.622 118.692 120.200 0.189 0.000 2.130 11 E HA -0.249 4.152 4.350 0.086 0.000 0.196 11 E C -0.733 175.896 176.600 0.048 0.000 0.998 11 E CA 2.464 58.919 56.400 0.093 0.000 0.806 11 E CB 0.051 29.794 29.700 0.073 0.000 0.738 11 E HN -0.016 8.472 8.360 0.214 0.000 0.459 12 E N -3.061 117.168 120.200 0.050 0.000 2.195 12 E HA 0.130 4.486 4.350 0.011 0.000 0.271 12 E C -1.115 175.488 176.600 0.005 0.000 0.923 12 E CA -1.062 55.351 56.400 0.022 0.000 0.790 12 E CB 1.195 30.910 29.700 0.026 0.000 1.155 12 E HN -0.255 8.132 8.360 0.078 0.019 0.402 13 N N 1.865 120.556 118.700 -0.014 0.000 2.569 13 N HA 0.156 4.876 4.740 -0.033 0.000 0.254 13 N C -0.875 174.624 175.510 -0.018 0.000 1.004 13 N CA -0.613 52.418 53.050 -0.030 0.000 0.904 13 N CB 0.934 39.389 38.487 -0.054 0.000 1.165 13 N HN 0.277 8.651 8.380 -0.011 0.000 0.513 14 V N 5.227 125.136 119.914 -0.009 0.000 2.382 14 V HA -0.153 3.965 4.120 -0.003 0.000 0.250 14 V C -0.896 175.192 176.094 -0.010 0.000 1.069 14 V CA 1.614 63.911 62.300 -0.005 0.000 1.130 14 V CB -0.518 31.306 31.823 0.002 0.000 1.165 14 V HN 0.141 8.439 8.190 -0.004 -0.111 0.483 15 S N 6.998 122.690 115.700 -0.012 0.000 2.639 15 S HA 0.182 4.645 4.470 -0.011 0.000 0.319 15 S C -1.785 172.808 174.600 -0.013 0.000 0.991 15 S CA -0.355 57.837 58.200 -0.013 0.000 0.858 15 S CB 0.855 64.043 63.200 -0.019 0.000 1.068 15 S HN 0.049 8.352 8.310 -0.011 0.000 0.458 16 V N 1.107 121.014 119.914 -0.011 0.000 3.105 16 V HA 0.791 4.904 4.120 -0.011 0.000 0.311 16 V C -2.431 173.657 176.094 -0.010 0.000 1.287 16 V CA -1.493 60.801 62.300 -0.010 0.000 1.066 16 V CB 3.343 35.161 31.823 -0.008 0.000 1.105 16 V HN 0.415 8.599 8.190 -0.010 0.000 0.462 17 D N -2.510 117.885 120.400 -0.009 0.000 2.419 17 D HA -0.132 4.503 4.640 -0.008 0.000 0.194 17 D C -1.659 174.636 176.300 -0.008 0.000 1.096 17 D CA -0.360 53.635 54.000 -0.009 0.000 0.821 17 D CB 0.686 41.480 40.800 -0.009 0.000 3.027 17 D HN 0.077 8.442 8.370 -0.009 0.000 0.479 18 D N -1.449 118.946 120.400 -0.008 0.000 2.860 18 D HA -0.326 4.309 4.640 -0.008 0.000 0.229 18 D C -0.779 175.516 176.300 -0.008 0.000 1.169 18 D CA 0.540 54.535 54.000 -0.008 0.000 0.737 18 D CB -0.242 40.553 40.800 -0.007 0.000 1.080 18 D HN 0.147 8.512 8.370 -0.008 0.000 0.424 19 T N -0.960 113.589 114.554 -0.008 0.000 2.561 19 T HA -0.317 4.029 4.350 -0.008 0.000 0.245 19 T C 0.269 174.965 174.700 -0.008 0.000 1.071 19 T CA 1.417 63.513 62.100 -0.008 0.000 1.368 19 T CB -0.492 68.371 68.868 -0.008 0.000 1.061 19 T HN -0.148 8.052 8.240 -0.008 0.035 0.511 20 T N 8.518 123.068 114.554 -0.007 0.000 2.649 20 T HA -0.240 4.105 4.350 -0.007 0.000 0.337 20 T C -0.585 174.110 174.700 -0.007 0.000 1.070 20 T CA 1.255 63.351 62.100 -0.007 0.000 1.052 20 T CB 0.423 69.288 68.868 -0.006 0.000 0.994 20 T HN -0.258 7.978 8.240 -0.007 0.000 0.544 21 A N -0.513 122.303 122.820 -0.007 0.000 5.865 21 A HA -0.147 4.169 4.320 -0.007 0.000 0.441 21 A C -1.306 176.272 177.584 -0.010 0.000 1.559 21 A CA 0.288 52.320 52.037 -0.008 0.000 0.547 21 A CB -0.195 18.802 19.000 -0.007 0.000 2.441 21 A HN 0.145 8.291 8.150 -0.007 0.000 0.448 22 T N -1.465 113.083 114.554 -0.010 0.000 3.894 22 T HA 0.086 4.429 4.350 -0.011 0.000 0.196 22 T C -2.948 171.746 174.700 -0.010 0.000 0.537 22 T CA -0.639 61.454 62.100 -0.013 0.000 0.894 22 T CB 0.566 69.423 68.868 -0.019 0.000 1.332 22 T HN -0.026 8.209 8.240 -0.009 0.000 0.505 23 P HA 0.227 4.647 4.420 -0.001 0.000 0.277 23 P C -1.353 175.956 177.300 0.014 0.000 1.240 23 P CA -0.472 62.627 63.100 -0.001 0.000 0.798 23 P CB 0.884 32.578 31.700 -0.010 0.000 0.979 24 K N -0.247 120.177 120.400 0.039 0.000 2.716 24 K HA 0.252 4.605 4.320 0.056 0.000 0.249 24 K C -1.152 175.528 176.600 0.134 0.000 1.004 24 K CA -0.151 56.180 56.287 0.074 0.000 0.968 24 K CB 1.452 33.994 32.500 0.070 0.000 1.214 24 K HN -0.055 8.218 8.250 0.039 0.000 0.476 25 T N 3.579 118.205 114.554 0.121 0.000 2.868 25 T HA 0.011 4.539 4.350 0.296 0.000 0.292 25 T C 0.850 175.596 174.700 0.076 0.000 1.028 25 T CA -1.324 60.880 62.100 0.175 0.000 1.059 25 T CB 1.424 70.393 68.868 0.168 0.000 0.991 25 T HN -0.021 8.270 8.240 0.085 0.000 0.531 26 V N 0.948 120.800 119.914 -0.103 0.000 3.026 26 V HA -0.354 3.563 4.120 -0.338 0.000 0.265 26 V C 1.147 177.119 176.094 -0.202 0.000 1.121 26 V CA 2.504 64.561 62.300 -0.405 0.000 1.142 26 V CB -1.160 30.117 31.823 -0.909 0.000 0.730 26 V HN 0.636 8.790 8.190 -0.060 0.000 0.503 27 L N -3.025 118.128 121.223 -0.116 0.000 2.049 27 L HA -0.192 4.073 4.340 -0.125 0.000 0.203 27 L C 1.450 178.301 176.870 -0.031 0.000 1.074 27 L CA 2.639 57.427 54.840 -0.087 0.000 0.749 27 L CB -0.734 41.285 42.059 -0.067 0.000 0.907 27 L HN -0.443 7.667 8.230 -0.077 0.073 0.439 28 S N -3.154 112.548 115.700 0.004 0.000 2.496 28 S HA -0.108 4.367 4.470 0.008 0.000 0.224 28 S C 1.080 175.709 174.600 0.048 0.000 0.996 28 S CA 1.637 59.850 58.200 0.020 0.000 0.927 28 S CB 0.259 63.473 63.200 0.024 0.000 0.774 28 S HN -0.458 7.860 8.310 0.012 0.000 0.524 29 D N 2.065 122.517 120.400 0.086 0.000 2.128 29 D HA -0.034 4.686 4.640 0.132 0.000 0.213 29 D C 0.721 177.112 176.300 0.152 0.000 0.983 29 D CA 2.033 56.130 54.000 0.162 0.000 0.889 29 D CB 0.376 41.372 40.800 0.327 0.000 1.018 29 D HN -0.138 8.232 8.370 0.071 0.042 0.448 30 S N -3.404 112.404 115.700 0.181 0.000 2.765 30 S HA -0.433 4.097 4.470 0.099 0.000 0.266 30 S C -1.503 173.213 174.600 0.193 0.000 1.302 30 S CA 1.616 59.899 58.200 0.138 0.000 1.274 30 S CB -0.877 62.360 63.200 0.063 0.000 1.559 30 S HN -0.014 8.416 8.310 0.200 0.000 0.658 31 A N -1.044 121.936 122.820 0.267 0.000 2.240 31 A HA 0.001 4.363 4.320 0.070 0.000 0.225 31 A C -1.963 175.632 177.584 0.019 0.000 2.778 31 A CA 0.218 52.318 52.037 0.105 0.000 1.834 31 A CB 0.729 19.758 19.000 0.049 0.000 0.363 31 A HN -0.120 8.163 8.150 0.350 0.077 0.767 32 H N -1.267 117.783 119.070 -0.033 0.000 5.420 32 H HA 0.098 4.472 4.556 -0.302 0.000 0.806 32 H C -2.268 173.127 175.328 0.110 0.000 1.944 32 H CA 0.281 56.266 56.048 -0.105 0.000 1.511 32 H CB 0.448 30.194 29.762 -0.026 0.000 3.954 32 H HN -0.367 8.133 8.280 0.367 0.000 0.682 33 F N 1.856 121.915 119.950 0.181 0.000 2.494 33 F HA 0.076 5.117 4.527 0.129 -0.436 0.351 33 F C -0.027 175.865 175.800 0.153 0.000 1.205 33 F CA -3.053 55.033 58.000 0.144 0.000 1.125 33 F CB -1.517 37.552 39.000 0.116 0.000 1.268 33 F HN -0.103 7.690 8.300 -0.844 0.000 0.593 34 D N 2.370 122.926 120.400 0.261 0.000 2.319 34 D HA 0.061 4.794 4.640 0.155 0.000 0.230 34 D C -0.663 175.702 176.300 0.107 0.000 1.094 34 D CA 0.643 54.729 54.000 0.143 0.000 0.856 34 D CB 0.702 41.528 40.800 0.042 0.000 0.915 34 D HN 0.039 8.683 8.370 0.246 -0.126 0.517 35 V N -0.643 119.356 119.914 0.142 0.000 2.808 35 V HA 0.035 4.178 4.120 0.037 0.000 0.308 35 V C -1.694 174.452 176.094 0.088 0.000 1.099 35 V CA -1.011 61.324 62.300 0.058 0.000 0.920 35 V CB 4.088 35.892 31.823 -0.032 0.000 1.014 35 V HN -0.769 7.456 8.190 0.232 0.104 0.425 36 K N 5.211 125.638 120.400 0.045 0.000 2.248 36 K HA 0.241 4.670 4.320 0.181 0.000 0.281 36 K C -0.756 175.868 176.600 0.040 0.000 1.054 36 K CA -0.941 55.401 56.287 0.092 0.000 0.903 36 K CB -0.143 32.399 32.500 0.069 0.000 1.077 36 K HN 0.123 8.383 8.250 0.017 0.000 0.474 37 H N 4.850 123.978 119.070 0.096 0.000 2.934 37 H HA 0.256 4.867 4.556 0.091 0.000 0.273 37 H C -1.756 173.644 175.328 0.120 0.000 1.121 37 H CA -1.984 54.128 56.048 0.107 0.000 1.451 37 H CB -0.052 29.788 29.762 0.129 0.000 1.469 37 H HN 0.265 8.777 8.280 0.387 0.000 0.476 38 P HA 0.373 4.979 4.420 0.148 -0.097 0.287 38 P C -2.030 175.365 177.300 0.158 0.000 1.292 38 P CA -1.060 62.125 63.100 0.141 0.000 0.879 38 P CB 2.419 34.169 31.700 0.082 0.000 1.214 39 L N -0.324 120.987 121.223 0.148 0.000 2.218 39 L HA 0.320 4.745 4.340 0.141 0.000 0.243 39 L C -0.805 176.131 176.870 0.109 0.000 1.132 39 L CA -1.754 53.180 54.840 0.157 0.000 1.052 39 L CB 2.006 44.219 42.059 0.258 0.000 1.599 39 L HN -0.512 7.791 8.230 0.122 0.000 0.468 40 N N -2.856 115.912 118.700 0.113 0.000 2.451 40 N HA 0.098 4.874 4.740 0.060 0.000 0.271 40 N C -1.043 174.518 175.510 0.085 0.000 1.410 40 N CA 0.092 53.188 53.050 0.078 0.000 0.884 40 N CB 1.450 39.974 38.487 0.063 0.000 1.332 40 N HN 0.175 8.640 8.380 0.142 0.000 0.498 41 T N -1.803 112.820 114.554 0.115 0.000 2.778 41 T HA 0.152 4.557 4.350 0.090 0.000 0.293 41 T C -2.073 172.637 174.700 0.016 0.000 1.144 41 T CA -1.841 60.339 62.100 0.133 0.000 1.010 41 T CB 2.085 71.111 68.868 0.264 0.000 1.325 41 T HN -0.570 7.686 8.240 0.129 0.062 0.515 42 K N 0.861 121.276 120.400 0.025 0.000 2.397 42 K HA 0.507 4.566 4.320 -0.435 0.000 0.253 42 K C -2.162 174.430 176.600 -0.013 0.000 0.932 42 K CA -1.315 54.870 56.287 -0.169 0.000 0.795 42 K CB 1.883 34.330 32.500 -0.088 0.000 1.159 42 K HN 0.097 8.425 8.250 0.129 0.000 0.424 43 W N -0.730 120.562 121.300 -0.014 0.000 3.544 43 W HA 0.458 5.242 4.660 0.006 -0.120 0.326 43 W C -0.835 175.652 176.519 -0.053 0.000 1.137 43 W CA -1.496 55.829 57.345 -0.033 0.000 1.252 43 W CB 2.062 31.474 29.460 -0.080 0.000 1.302 43 W HN -0.032 7.654 8.180 -0.823 0.000 0.467 44 T N -0.416 114.210 114.554 0.120 0.000 2.847 44 T HA 0.111 4.648 4.350 0.112 -0.119 0.279 44 T C -1.482 173.212 174.700 -0.011 0.000 0.984 44 T CA -1.848 60.307 62.100 0.093 0.000 0.988 44 T CB 2.005 71.036 68.868 0.271 0.000 1.040 44 T HN 0.915 9.134 8.240 0.116 0.091 0.528 45 L N 1.402 122.739 121.223 0.190 0.000 2.442 45 L HA 0.365 4.631 4.340 -0.124 0.000 0.261 45 L C -1.750 175.415 176.870 0.493 0.000 1.000 45 L CA -0.876 54.073 54.840 0.181 0.000 0.882 45 L CB 1.532 43.798 42.059 0.346 0.000 1.207 45 L HN 0.174 8.585 8.230 0.383 0.049 0.443 46 W N 6.126 127.476 121.300 0.083 0.000 2.520 46 W HA 0.612 5.595 4.660 0.177 -0.217 0.323 46 W C -1.211 175.456 176.519 0.247 0.000 1.062 46 W CA -4.015 53.419 57.345 0.149 0.000 1.215 46 W CB 1.599 31.097 29.460 0.064 0.000 1.340 46 W HN 0.652 8.702 8.180 -0.217 0.000 0.516 47 Y N -1.581 118.895 120.300 0.293 0.000 2.338 47 Y HA 0.671 5.477 4.550 0.225 -0.122 0.328 47 Y C -0.366 175.596 175.900 0.104 0.000 0.965 47 Y CA -3.031 55.196 58.100 0.212 0.000 1.208 47 Y CB 0.359 38.946 38.460 0.212 0.000 1.132 47 Y HN 0.690 8.873 8.280 0.028 0.114 0.469 48 T N 5.340 119.925 114.554 0.052 0.000 2.889 48 T HA 0.188 4.383 4.350 -0.258 0.000 0.291 48 T C -0.169 174.511 174.700 -0.033 0.000 0.995 48 T CA -0.384 61.642 62.100 -0.122 0.000 1.092 48 T CB 0.989 69.730 68.868 -0.211 0.000 0.954 48 T HN 0.686 8.880 8.240 0.124 0.121 0.506 49 K N 4.859 125.214 120.400 -0.076 0.000 3.163 49 K HA 0.435 4.773 4.320 0.031 0.000 0.186 49 K C -1.899 174.689 176.600 -0.021 0.000 1.111 49 K CA -3.614 52.667 56.287 -0.009 0.000 0.918 49 K CB 0.194 32.701 32.500 0.011 0.000 1.059 49 K HN 0.364 8.519 8.250 -0.157 0.000 0.558 50 P HA -0.185 4.240 4.420 0.007 0.000 0.253 50 P C -1.326 175.983 177.300 0.014 0.000 1.159 50 P CA 1.093 64.202 63.100 0.015 0.000 0.779 50 P CB -0.022 31.712 31.700 0.057 0.000 0.745 51 A N 4.452 127.277 122.820 0.008 0.000 1.602 51 A HA 0.131 4.458 4.320 0.012 0.000 0.198 51 A C 0.266 177.854 177.584 0.007 0.000 1.957 51 A CA 0.926 52.968 52.037 0.008 0.000 1.550 51 A CB 0.858 19.861 19.000 0.005 0.000 1.537 51 A HN -0.136 8.022 8.150 0.003 -0.007 0.312 52 V N -0.288 119.627 119.914 0.000 0.000 3.647 52 V HA -0.113 4.009 4.120 0.004 0.000 0.279 52 V C 0.005 176.104 176.094 0.009 0.000 1.314 52 V CA 0.613 62.913 62.300 0.001 0.000 1.125 52 V CB -0.081 31.737 31.823 -0.009 0.000 0.907 52 V HN 0.143 8.329 8.190 -0.007 0.000 0.434 53 D N 0.024 120.436 120.400 0.019 0.000 2.311 53 D HA -0.357 4.309 4.640 0.042 0.000 0.212 53 D C 1.263 177.584 176.300 0.035 0.000 0.972 53 D CA 2.285 56.309 54.000 0.040 0.000 0.887 53 D CB -0.853 39.988 40.800 0.067 0.000 0.915 53 D HN 0.246 8.629 8.370 0.017 -0.003 0.497 54 K N -1.576 118.838 120.400 0.024 0.000 2.097 54 K HA -0.286 4.046 4.320 0.020 0.000 0.214 54 K C 1.252 177.865 176.600 0.021 0.000 1.052 54 K CA 2.483 58.782 56.287 0.020 0.000 0.932 54 K CB -0.069 32.439 32.500 0.014 0.000 0.716 54 K HN -0.223 7.975 8.250 0.020 0.065 0.455 55 S N -6.145 109.567 115.700 0.020 0.000 2.760 55 S HA 0.103 4.587 4.470 0.023 0.000 0.263 55 S C -0.518 174.094 174.600 0.020 0.000 1.007 55 S CA 0.244 58.456 58.200 0.020 0.000 1.358 55 S CB 0.392 63.600 63.200 0.014 0.000 1.228 55 S HN -0.601 7.713 8.310 0.017 0.006 0.684 56 E N 2.152 122.363 120.200 0.019 0.000 2.007 56 E HA 0.034 4.388 4.350 0.007 0.000 0.204 56 E C -0.484 176.131 176.600 0.025 0.000 0.933 56 E CA 0.839 57.246 56.400 0.012 0.000 0.924 56 E CB 0.366 30.065 29.700 -0.002 0.000 0.868 56 E HN -0.139 8.137 8.360 0.019 0.096 0.535 57 S N -3.857 111.864 115.700 0.035 0.000 2.697 57 S HA 0.027 4.558 4.470 0.102 0.000 0.313 57 S C -0.264 174.391 174.600 0.092 0.000 0.954 57 S CA 0.012 58.255 58.200 0.072 0.000 0.831 57 S CB 0.242 63.472 63.200 0.049 0.000 1.030 57 S HN -0.211 8.112 8.310 0.022 0.000 0.466 58 W N 8.390 129.682 121.300 -0.013 0.000 2.321 58 W HA -0.293 4.355 4.660 -0.020 0.000 0.285 58 W C -0.360 176.149 176.519 -0.016 0.000 1.213 58 W CA 3.059 60.395 57.345 -0.016 0.000 1.205 58 W CB -0.084 29.363 29.460 -0.021 0.000 1.134 58 W HN 0.555 8.920 8.180 0.308 0.000 0.549 59 S N -4.196 111.508 115.700 0.005 0.000 2.524 59 S HA -0.144 4.167 4.470 -0.265 0.000 0.216 59 S C -0.214 174.287 174.600 -0.165 0.000 0.987 59 S CA 1.141 59.272 58.200 -0.115 0.000 0.909 59 S CB -0.199 63.016 63.200 0.024 0.000 0.781 59 S HN -0.269 8.089 8.310 0.151 0.042 0.521 60 D N 0.020 120.349 120.400 -0.119 0.000 2.346 60 D HA 0.014 4.587 4.640 -0.112 0.000 0.206 60 D C 0.759 176.966 176.300 -0.153 0.000 1.001 60 D CA 1.517 55.451 54.000 -0.111 0.000 0.871 60 D CB 0.788 41.555 40.800 -0.055 0.000 0.943 60 D HN -0.007 8.087 8.370 -0.072 0.233 0.518 61 L N -2.573 118.523 121.223 -0.212 0.000 2.265 61 L HA 0.106 4.342 4.340 -0.172 0.000 0.195 61 L C 0.513 177.180 176.870 -0.340 0.000 1.083 61 L CA 0.764 55.464 54.840 -0.234 0.000 0.798 61 L CB 0.284 42.217 42.059 -0.210 0.000 0.989 61 L HN -0.709 7.342 8.230 -0.236 0.037 0.472 62 L N 0.559 121.484 121.223 -0.496 0.000 2.769 62 L HA -0.311 3.752 4.340 -0.462 0.000 0.293 62 L C -0.551 176.040 176.870 -0.465 0.000 1.224 62 L CA 0.704 55.234 54.840 -0.517 0.000 0.906 62 L CB -0.125 41.547 42.059 -0.646 0.000 1.193 62 L HN -0.866 6.998 8.230 -0.610 0.000 0.488 63 R N 5.120 125.269 120.500 -0.584 0.000 2.287 63 R HA 0.418 4.474 4.340 -0.473 0.000 0.316 63 R C -2.143 173.867 176.300 -0.483 0.000 1.050 63 R CA -3.756 51.914 56.100 -0.717 0.000 0.983 63 R CB 0.464 29.971 30.300 -1.322 0.000 1.140 63 R HN -0.013 7.776 8.270 -0.601 0.120 0.528 64 P HA 0.044 4.608 4.420 0.239 0.000 0.281 64 P C -1.166 176.234 177.300 0.167 0.000 1.252 64 P CA -0.331 62.659 63.100 -0.183 0.000 0.778 64 P CB 0.515 31.655 31.700 -0.934 0.000 0.895 65 V N -0.666 119.524 119.914 0.459 0.000 5.619 65 V HA 0.336 4.628 4.120 0.287 0.000 0.302 65 V C -0.512 175.819 176.094 0.396 0.000 1.590 65 V CA -2.715 59.821 62.300 0.393 0.000 0.752 65 V CB 1.345 33.442 31.823 0.457 0.000 1.366 65 V HN 0.547 9.011 8.190 0.691 0.141 0.428 66 T N 2.313 117.116 114.554 0.416 0.000 2.190 66 T HA -0.294 4.481 4.350 0.709 0.000 0.175 66 T C -0.885 174.037 174.700 0.370 0.000 1.091 66 T CA 2.641 65.047 62.100 0.511 0.000 1.860 66 T CB -0.013 69.150 68.868 0.491 0.000 0.973 66 T HN 0.144 8.614 8.240 0.383 0.000 0.415 67 S N 5.915 121.634 115.700 0.031 0.000 2.279 67 S HA 0.410 4.950 4.470 -0.150 -0.160 0.176 67 S C -1.383 172.562 174.600 -1.091 0.000 1.554 67 S CA -0.958 57.006 58.200 -0.392 0.000 1.242 67 S CB 1.353 64.379 63.200 -0.290 0.000 1.163 67 S HN 0.035 8.330 8.310 -0.024 0.000 0.449 68 F N 2.675 122.229 119.950 -0.659 0.000 3.016 68 F HA 0.164 4.399 4.527 -0.486 0.000 0.324 68 F C -1.741 173.221 175.800 -1.397 0.000 1.196 68 F CA -1.305 56.269 58.000 -0.710 0.000 0.929 68 F CB 3.208 42.014 39.000 -0.324 0.000 1.440 68 F HN -0.493 7.365 8.300 -0.736 0.000 0.505 69 Q N -2.128 117.415 119.800 -0.429 0.000 2.404 69 Q HA 0.256 4.374 4.340 -0.369 0.000 0.368 69 Q C -1.782 174.347 176.000 0.215 0.000 0.939 69 Q CA -0.758 54.931 55.803 -0.190 0.000 1.099 69 Q CB -0.804 27.906 28.738 -0.047 0.000 1.284 69 Q HN 0.356 8.583 8.270 -0.072 0.000 0.421 70 T N -1.016 113.751 114.554 0.354 0.000 2.619 70 T HA 0.379 5.115 4.350 0.366 -0.167 0.244 70 T C -1.329 173.735 174.700 0.606 0.000 0.893 70 T CA -2.540 59.816 62.100 0.427 0.000 1.093 70 T CB 1.608 70.641 68.868 0.275 0.000 1.567 70 T HN -0.588 7.682 8.240 0.163 0.068 0.549 71 V N -5.453 114.758 119.914 0.495 0.000 3.180 71 V HA 0.390 4.977 4.120 0.778 0.000 0.246 71 V C 0.502 176.909 176.094 0.521 0.000 1.545 71 V CA 1.262 63.922 62.300 0.600 0.000 1.138 71 V CB 1.186 33.297 31.823 0.480 0.000 0.978 71 V HN 0.058 8.480 8.190 0.387 0.000 0.437 72 E N 1.697 122.085 120.200 0.313 0.000 2.267 72 E HA -0.455 3.988 4.350 0.156 0.000 0.197 72 E C 1.360 178.087 176.600 0.211 0.000 0.998 72 E CA 3.648 60.167 56.400 0.198 0.000 0.830 72 E CB -0.155 29.631 29.700 0.143 0.000 0.751 72 E HN -0.488 8.034 8.360 0.269 0.000 0.491 73 E N -0.256 120.119 120.200 0.291 0.000 2.004 73 E HA -0.292 4.171 4.350 0.188 0.000 0.193 73 E C 1.971 178.755 176.600 0.305 0.000 0.985 73 E CA 3.524 60.099 56.400 0.291 0.000 0.832 73 E CB -0.172 29.751 29.700 0.372 0.000 0.787 73 E HN -0.017 8.521 8.360 0.364 0.041 0.466 74 F N -1.970 118.116 119.950 0.228 0.000 2.192 74 F HA -0.290 4.319 4.527 0.137 0.000 0.301 74 F C 1.105 176.878 175.800 -0.045 0.000 1.079 74 F CA 1.750 59.780 58.000 0.051 0.000 1.303 74 F CB -0.880 38.008 39.000 -0.186 0.000 1.024 74 F HN -0.303 8.504 8.300 0.846 0.000 0.494 75 W N -1.071 119.664 121.300 -0.943 0.000 2.358 75 W HA -0.522 3.360 4.660 -1.297 0.000 0.303 75 W C 1.684 177.945 176.519 -0.430 0.000 1.208 75 W CA 2.264 59.054 57.345 -0.927 0.000 1.274 75 W CB -0.185 28.867 29.460 -0.681 0.000 1.138 75 W HN -0.044 7.864 8.180 -0.413 0.024 0.515 76 A N -0.566 122.266 122.820 0.021 0.000 1.849 76 A HA -0.375 3.945 4.320 0.001 0.000 0.217 76 A C 2.404 179.969 177.584 -0.032 0.000 1.202 76 A CA 2.901 54.943 52.037 0.009 0.000 0.629 76 A CB -0.990 18.034 19.000 0.040 0.000 0.834 76 A HN -0.285 7.804 8.150 0.054 0.093 0.447 77 I N -2.801 117.748 120.570 -0.036 0.000 2.300 77 I HA -0.406 3.694 4.170 -0.118 0.000 0.252 77 I C 2.110 178.168 176.117 -0.099 0.000 1.119 77 I CA 2.309 63.562 61.300 -0.078 0.000 1.384 77 I CB -0.871 37.113 38.000 -0.027 0.000 1.062 77 I HN -0.533 7.680 8.210 0.005 0.000 0.426 78 I N -2.557 117.948 120.570 -0.108 0.000 2.353 78 I HA -0.343 3.727 4.170 -0.168 0.000 0.248 78 I C 1.752 177.828 176.117 -0.068 0.000 1.119 78 I CA 1.699 62.934 61.300 -0.109 0.000 1.417 78 I CB -2.016 35.971 38.000 -0.022 0.000 1.078 78 I HN -0.670 7.327 8.210 -0.115 0.144 0.421 79 Q N -0.643 119.124 119.800 -0.055 0.000 2.325 79 Q HA -0.291 3.997 4.340 -0.087 0.000 0.211 79 Q C 1.551 177.514 176.000 -0.061 0.000 0.988 79 Q CA 2.197 57.960 55.803 -0.068 0.000 0.887 79 Q CB -1.047 27.655 28.738 -0.060 0.000 0.915 79 Q HN 0.202 8.311 8.270 -0.041 0.136 0.440 80 N N -2.159 116.503 118.700 -0.063 0.000 2.519 80 N HA -0.207 4.506 4.740 -0.046 0.000 0.186 80 N C 0.106 175.591 175.510 -0.042 0.000 1.062 80 N CA 0.977 53.995 53.050 -0.053 0.000 0.910 80 N CB 0.604 39.051 38.487 -0.065 0.000 0.958 80 N HN -0.765 7.388 8.380 -0.072 0.184 0.445 81 I N -7.162 113.378 120.570 -0.050 0.000 6.272 81 I HA -0.210 4.134 4.170 -0.048 -0.203 0.126 81 I C -1.786 174.325 176.117 -0.012 0.000 1.619 81 I CA 0.587 61.865 61.300 -0.037 0.000 2.452 81 I CB -2.601 35.378 38.000 -0.035 0.000 3.064 81 I HN 0.317 8.265 8.210 -0.063 0.224 0.279 82 P HA -0.026 4.552 4.420 0.022 -0.145 0.216 82 P C -0.633 176.710 177.300 0.072 0.000 1.154 82 P CA 0.511 63.626 63.100 0.024 0.000 0.857 82 P CB 1.408 33.119 31.700 0.019 0.000 0.787 83 E N -4.802 115.459 120.200 0.101 0.000 7.563 83 E HA -0.285 4.297 4.350 0.388 0.000 0.162 83 E C -1.239 175.521 176.600 0.267 0.000 1.472 83 E CA 1.065 57.618 56.400 0.255 0.000 2.554 83 E CB -2.784 27.020 29.700 0.173 0.000 1.647 83 E HN 0.010 8.392 8.360 0.036 0.000 0.440 84 P HA 0.006 4.445 4.420 0.031 0.000 0.257 84 P C -1.581 175.920 177.300 0.335 0.000 1.325 84 P CA 0.344 63.527 63.100 0.139 0.000 0.850 84 P CB -0.034 31.700 31.700 0.057 0.000 1.324 85 H N -4.967 114.159 119.070 0.093 0.000 3.727 85 H HA 0.229 4.822 4.556 0.061 0.000 0.248 85 H C -1.686 173.676 175.328 0.057 0.000 1.238 85 H CA 0.353 56.445 56.048 0.073 0.000 1.090 85 H CB 0.757 30.569 29.762 0.083 0.000 3.166 85 H HN -0.769 7.553 8.280 0.246 0.106 0.653 86 E N -1.736 118.519 120.200 0.092 0.000 2.676 86 E HA 0.208 4.575 4.350 0.030 0.000 0.225 86 E C -1.081 175.532 176.600 0.021 0.000 0.944 86 E CA -0.539 55.890 56.400 0.047 0.000 1.156 86 E CB 2.847 32.582 29.700 0.059 0.000 1.117 86 E HN 0.186 8.611 8.360 0.109 0.000 0.523 87 L N -3.386 117.848 121.223 0.019 0.000 2.341 87 L HA 0.574 4.919 4.340 0.009 0.000 0.254 87 L C -3.039 173.832 176.870 0.001 0.000 1.040 87 L CA -3.567 51.282 54.840 0.015 0.000 0.837 87 L CB -1.610 40.469 42.059 0.034 0.000 1.425 87 L HN -0.840 7.406 8.230 0.025 0.000 0.414 88 P HA -0.002 4.411 4.420 -0.011 0.000 0.257 88 P C -0.419 176.886 177.300 0.007 0.000 1.189 88 P CA 0.281 63.383 63.100 0.003 0.000 0.780 88 P CB -0.178 31.531 31.700 0.015 0.000 0.772 89 L N 1.886 123.104 121.223 -0.009 0.000 2.257 89 L HA -0.285 4.061 4.340 0.011 0.000 0.208 89 L C 0.673 177.551 176.870 0.013 0.000 1.157 89 L CA 0.815 55.655 54.840 0.001 0.000 0.836 89 L CB 0.569 42.621 42.059 -0.013 0.000 1.175 89 L HN -0.202 8.011 8.230 -0.027 0.000 0.589 90 K N -6.242 114.167 120.400 0.014 0.000 3.130 90 K HA -0.416 4.024 4.320 0.015 -0.111 0.282 90 K C -1.374 175.247 176.600 0.035 0.000 1.145 90 K CA 0.889 57.188 56.287 0.020 0.000 0.831 90 K CB -1.827 30.683 32.500 0.018 0.000 1.226 90 K HN 0.432 8.707 8.250 0.012 -0.018 0.478 91 S N -3.466 112.255 115.700 0.036 0.000 2.758 91 S HA 0.080 4.581 4.470 0.051 0.000 0.292 91 S C -1.866 172.764 174.600 0.050 0.000 1.131 91 S CA -1.308 56.922 58.200 0.050 0.000 0.997 91 S CB 3.030 66.266 63.200 0.060 0.000 1.111 91 S HN -0.661 7.614 8.310 0.030 0.052 0.552 92 D N -1.446 118.985 120.400 0.052 0.000 2.661 92 D HA 0.490 5.179 4.640 -0.032 -0.068 0.228 92 D C -2.105 174.181 176.300 -0.023 0.000 1.210 92 D CA 0.484 54.474 54.000 -0.016 0.000 0.826 92 D CB 5.028 45.859 40.800 0.052 0.000 1.542 92 D HN -0.206 8.205 8.370 0.068 0.000 0.447 93 Y N 1.713 121.781 120.300 -0.387 0.000 2.313 93 Y HA 0.559 5.251 4.550 -0.072 -0.185 0.320 93 Y C -2.718 172.929 175.900 -0.421 0.000 1.171 93 Y CA -0.809 57.148 58.100 -0.238 0.000 1.093 93 Y CB 2.824 41.293 38.460 0.015 0.000 1.224 93 Y HN 0.448 8.430 8.280 -0.299 0.119 0.421 94 H N 5.506 124.157 119.070 -0.698 0.000 2.689 94 H HA 0.402 4.422 4.556 -1.057 -0.099 0.346 94 H C -2.322 172.051 175.328 -1.592 0.000 1.037 94 H CA -2.165 53.216 56.048 -1.112 0.000 1.234 94 H CB 3.347 32.650 29.762 -0.765 0.000 1.572 94 H HN 0.840 8.992 8.280 -0.212 0.000 0.524 95 V N 4.379 123.394 119.914 -1.499 0.000 2.483 95 V HA 0.837 4.565 4.120 -1.014 -0.217 0.297 95 V C -1.590 174.007 176.094 -0.827 0.000 1.027 95 V CA -1.009 60.660 62.300 -1.052 0.000 0.855 95 V CB 2.437 33.921 31.823 -0.564 0.000 0.995 95 V HN -0.261 7.156 8.190 -1.288 0.000 0.424 96 F N 2.509 122.348 119.950 -0.186 0.000 3.548 96 F HA 0.412 4.964 4.527 0.041 0.000 0.326 96 F C -2.342 173.443 175.800 -0.025 0.000 1.036 96 F CA -1.221 56.749 58.000 -0.050 0.000 0.820 96 F CB 0.507 39.473 39.000 -0.056 0.000 1.590 96 F HN -0.129 8.006 8.300 -0.274 0.000 0.460 97 R N -3.723 116.952 120.500 0.292 0.000 1.609 97 R HA -0.209 4.244 4.340 0.034 -0.092 0.141 97 R C -0.705 175.647 176.300 0.086 0.000 0.699 97 R CA 1.213 57.387 56.100 0.123 0.000 2.942 97 R CB 0.332 30.704 30.300 0.120 0.000 1.009 97 R HN -0.143 8.297 8.270 0.283 0.000 0.525 98 N N -1.752 117.029 118.700 0.135 0.000 2.202 98 N HA -0.341 4.454 4.740 0.092 0.000 0.197 98 N C -0.034 175.507 175.510 0.050 0.000 0.995 98 N CA 2.435 55.545 53.050 0.101 0.000 0.894 98 N CB -0.539 38.023 38.487 0.125 0.000 1.010 98 N HN -0.013 8.492 8.380 0.208 0.000 0.453 99 D N -2.921 117.498 120.400 0.031 0.000 2.602 99 D HA 0.128 4.768 4.640 0.001 0.000 0.284 99 D C -0.316 175.967 176.300 -0.028 0.000 1.065 99 D CA 1.011 55.010 54.000 -0.002 0.000 0.923 99 D CB 2.279 43.072 40.800 -0.011 0.000 1.373 99 D HN -0.654 7.696 8.370 0.040 0.044 0.492 100 V N -0.947 118.934 119.914 -0.054 0.000 6.972 100 V HA 0.131 4.222 4.120 -0.049 0.000 0.271 100 V C -1.645 174.407 176.094 -0.071 0.000 1.690 100 V CA -1.654 60.600 62.300 -0.078 0.000 0.593 100 V CB 2.104 33.848 31.823 -0.131 0.000 1.625 100 V HN -0.531 7.733 8.190 -0.057 -0.108 0.356 101 R N -4.085 116.339 120.500 -0.127 0.000 1.795 101 R HA 0.037 4.419 4.340 -0.153 -0.134 0.028 101 R C -2.078 174.312 176.300 0.149 0.000 0.822 101 R CA 1.613 57.697 56.100 -0.026 0.000 3.500 101 R CB -1.280 29.106 30.300 0.142 0.000 0.762 101 R HN 0.195 8.360 8.270 -0.175 0.000 0.576 102 P HA -0.255 4.347 4.420 0.304 0.000 0.216 102 P C -0.989 176.597 177.300 0.477 0.000 1.062 102 P CA 2.371 65.639 63.100 0.281 0.000 0.995 102 P CB -0.169 31.596 31.700 0.109 0.000 0.762 103 E N -8.677 111.702 120.200 0.297 0.000 2.023 103 E HA -0.069 4.637 4.350 0.592 0.000 0.251 103 E C -1.163 175.681 176.600 0.408 0.000 1.800 103 E CA -0.318 56.400 56.400 0.529 0.000 1.160 103 E CB -0.613 29.531 29.700 0.740 0.000 1.460 103 E HN -0.646 7.867 8.360 0.092 -0.097 0.561 104 W N 0.382 121.916 121.300 0.390 0.000 2.538 104 W HA -0.146 4.098 4.660 -0.692 0.000 0.254 104 W C -0.477 175.960 176.519 -0.137 0.000 1.249 104 W CA 2.277 59.631 57.345 0.015 0.000 1.253 104 W CB 0.026 29.709 29.460 0.373 0.000 1.130 104 W HN 0.235 9.040 8.180 1.040 0.000 0.618 105 E N -2.892 117.400 120.200 0.154 0.000 2.479 105 E HA -0.112 3.631 4.350 -1.011 0.000 0.193 105 E C -0.846 175.624 176.600 -0.217 0.000 1.049 105 E CA 1.260 57.506 56.400 -0.256 0.000 0.870 105 E CB -0.160 29.674 29.700 0.223 0.000 0.944 105 E HN -0.181 8.406 8.360 0.506 0.077 0.492 106 D N -2.472 117.829 120.400 -0.165 0.000 1.924 106 D HA 0.047 4.582 4.640 -0.174 0.000 0.371 106 D C 1.412 177.585 176.300 -0.211 0.000 1.086 106 D CA 1.217 55.128 54.000 -0.148 0.000 0.982 106 D CB 1.806 42.582 40.800 -0.040 0.000 1.872 106 D HN -0.018 8.084 8.370 -0.128 0.191 0.543 107 E N 1.939 122.003 120.200 -0.227 0.000 2.147 107 E HA -0.479 3.720 4.350 -0.252 0.000 0.199 107 E C 1.579 177.921 176.600 -0.430 0.000 1.005 107 E CA 3.515 59.721 56.400 -0.323 0.000 0.810 107 E CB -0.206 29.276 29.700 -0.364 0.000 0.736 107 E HN 0.554 8.807 8.360 -0.128 0.030 0.460 108 A N -1.432 121.032 122.820 -0.593 0.000 1.917 108 A HA -0.430 3.495 4.320 -0.658 0.000 0.219 108 A C 2.015 179.382 177.584 -0.361 0.000 1.182 108 A CA 3.434 55.143 52.037 -0.547 0.000 0.633 108 A CB -0.857 17.826 19.000 -0.528 0.000 0.819 108 A HN -0.366 7.398 8.150 -0.616 0.017 0.448 109 N N -3.495 115.038 118.700 -0.278 0.000 2.182 109 N HA -0.349 4.278 4.740 -0.188 0.000 0.192 109 N C 0.443 175.788 175.510 -0.275 0.000 1.007 109 N CA 2.627 55.541 53.050 -0.226 0.000 0.873 109 N CB -0.598 37.799 38.487 -0.150 0.000 0.998 109 N HN 0.336 8.422 8.380 -0.281 0.125 0.436 110 A N -0.735 121.932 122.820 -0.254 0.000 1.865 110 A HA -0.102 4.117 4.320 -0.169 0.000 0.216 110 A C 0.867 178.323 177.584 -0.212 0.000 1.315 110 A CA 1.791 53.708 52.037 -0.201 0.000 0.605 110 A CB 0.622 19.526 19.000 -0.160 0.000 0.984 110 A HN 0.033 7.825 8.150 -0.268 0.197 0.470 111 K N -2.625 117.660 120.400 -0.192 0.000 2.032 111 K HA -0.431 3.891 4.320 -0.080 -0.050 0.209 111 K C 1.196 177.683 176.600 -0.189 0.000 1.048 111 K CA 2.375 58.584 56.287 -0.129 0.000 0.927 111 K CB 0.267 32.746 32.500 -0.035 0.000 0.712 111 K HN -0.319 7.808 8.250 -0.205 0.000 0.441 112 G N -2.786 105.831 108.800 -0.306 0.000 2.284 112 G HA2 -0.418 3.042 3.960 -0.928 0.000 0.247 112 G HA3 -0.418 3.276 3.960 -0.444 0.000 0.247 112 G C -0.716 174.262 174.900 0.129 0.000 1.012 112 G CA 0.259 45.130 45.100 -0.382 0.000 0.618 112 G HN 0.135 8.117 8.290 -0.342 0.103 0.521 113 G N -0.559 108.320 108.800 0.132 0.000 2.590 113 G HA2 0.476 4.741 3.960 0.509 0.000 0.310 113 G HA3 0.476 4.776 3.960 0.567 0.000 0.310 113 G C -3.065 172.147 174.900 0.521 0.000 1.347 113 G CA -0.993 44.380 45.100 0.455 0.000 0.963 113 G HN -0.815 7.374 8.290 0.018 0.112 0.494 114 K N 5.202 125.980 120.400 0.631 0.000 2.389 114 K HA 0.437 5.395 4.320 0.872 -0.114 0.261 114 K C -1.272 175.728 176.600 0.665 0.000 1.014 114 K CA -1.977 54.712 56.287 0.670 0.000 0.920 114 K CB 2.116 34.899 32.500 0.471 0.000 1.149 114 K HN 0.720 9.194 8.250 0.559 0.111 0.444 115 W N 8.524 129.903 121.300 0.132 0.000 2.360 115 W HA 0.533 5.306 4.660 -0.197 -0.231 0.344 115 W C -0.394 175.815 176.519 -0.517 0.000 1.025 115 W CA -1.396 55.874 57.345 -0.124 0.000 1.480 115 W CB 0.767 30.232 29.460 0.008 0.000 1.350 115 W HN 1.194 9.780 8.180 0.861 0.111 0.382 116 S N 2.705 118.132 115.700 -0.454 0.000 2.651 116 S HA 0.804 4.744 4.470 -1.268 -0.231 0.291 116 S C -1.184 172.938 174.600 -0.796 0.000 1.141 116 S CA -2.004 55.706 58.200 -0.818 0.000 1.027 116 S CB 2.400 65.365 63.200 -0.392 0.000 1.043 116 S HN 0.815 8.819 8.310 -0.317 0.116 0.530 117 F N -0.095 119.662 119.950 -0.321 0.000 2.610 117 F HA 0.354 4.711 4.527 -0.284 0.000 0.355 117 F C -1.305 174.175 175.800 -0.533 0.000 1.140 117 F CA -2.141 55.622 58.000 -0.395 0.000 1.037 117 F CB 1.187 39.945 39.000 -0.404 0.000 1.287 117 F HN 0.487 8.059 8.300 -1.067 0.088 0.457 118 Q N 4.244 123.870 119.800 -0.290 0.000 2.286 118 Q HA 0.134 4.271 4.340 -0.337 0.000 0.257 118 Q C -1.114 174.650 176.000 -0.394 0.000 0.941 118 Q CA -0.018 55.584 55.803 -0.335 0.000 0.912 118 Q CB 1.317 29.895 28.738 -0.267 0.000 1.192 118 Q HN 0.310 8.448 8.270 -0.220 0.000 0.410 119 L N 4.624 125.673 121.223 -0.290 0.000 2.408 119 L HA 0.367 4.629 4.340 -0.130 0.000 0.268 119 L C -0.073 176.754 176.870 -0.071 0.000 0.986 119 L CA -1.048 53.699 54.840 -0.155 0.000 0.820 119 L CB 3.891 45.876 42.059 -0.123 0.000 1.303 119 L HN 0.319 8.386 8.230 -0.271 0.000 0.411 120 C N 2.339 121.642 119.300 0.005 0.000 2.466 120 C HA -0.047 4.483 4.460 0.015 -0.061 0.283 120 C C -0.210 174.807 174.990 0.046 0.000 1.472 120 C CA 0.287 59.323 59.018 0.031 0.000 1.765 120 C CB -1.097 26.681 27.740 0.063 0.000 1.724 120 C HN 1.071 9.348 8.230 0.078 0.000 0.560 121 G N -3.124 105.661 108.800 -0.024 0.000 3.338 121 G HA2 -0.269 3.381 3.960 -0.516 0.000 0.686 121 G HA3 -0.269 3.791 3.960 0.167 0.000 0.686 121 G C -1.267 173.470 174.900 -0.272 0.000 1.053 121 G CA -0.147 44.837 45.100 -0.192 0.000 0.852 121 G HN -0.472 7.710 8.290 -0.044 0.082 0.545 122 K N 4.765 124.818 120.400 -0.578 0.000 2.572 122 K HA 0.094 4.367 4.320 -0.077 0.000 0.234 122 K C -0.385 176.148 176.600 -0.111 0.000 1.374 122 K CA -0.471 55.690 56.287 -0.211 0.000 0.771 122 K CB 1.371 33.809 32.500 -0.104 0.000 1.738 122 K HN 0.339 7.975 8.250 -1.023 0.000 0.388 123 G N 0.005 108.741 108.800 -0.108 0.000 2.963 123 G HA2 -0.106 3.945 3.960 0.151 0.000 0.262 123 G HA3 -0.106 4.006 3.960 0.252 0.000 0.262 123 G C -0.987 173.960 174.900 0.079 0.000 1.043 123 G CA -0.118 45.049 45.100 0.111 0.000 1.223 123 G HN -0.339 7.846 8.290 -0.175 0.000 0.574 124 A N 0.744 123.601 122.820 0.061 0.000 1.748 124 A HA 0.581 4.929 4.320 0.047 0.000 0.171 124 A C -0.077 177.535 177.584 0.047 0.000 1.736 124 A CA 1.488 53.553 52.037 0.048 0.000 1.179 124 A CB 1.171 20.191 19.000 0.034 0.000 0.961 124 A HN 0.038 8.226 8.150 0.063 0.000 0.653 125 D N -1.288 119.143 120.400 0.052 0.000 2.969 125 D HA 0.224 4.891 4.640 0.044 0.000 0.317 125 D C 0.006 176.348 176.300 0.070 0.000 1.650 125 D CA 0.341 54.370 54.000 0.047 0.000 0.789 125 D CB 0.873 41.689 40.800 0.027 0.000 1.277 125 D HN 0.009 8.412 8.370 0.055 0.000 0.463 126 I N 0.078 120.713 120.570 0.108 0.000 2.500 126 I HA -0.175 4.084 4.170 0.149 0.000 0.252 126 I C 0.681 176.921 176.117 0.205 0.000 1.142 126 I CA 2.216 63.617 61.300 0.168 0.000 1.451 126 I CB 0.129 38.261 38.000 0.220 0.000 1.093 126 I HN -0.257 8.015 8.210 0.104 0.000 0.430 127 D N -1.367 119.142 120.400 0.182 0.000 2.265 127 D HA -0.347 4.538 4.640 0.408 0.000 0.208 127 D C 1.892 178.151 176.300 -0.069 0.000 0.977 127 D CA 3.326 57.410 54.000 0.140 0.000 0.871 127 D CB -1.284 39.565 40.800 0.080 0.000 0.925 127 D HN 0.432 8.895 8.370 0.155 0.000 0.485 128 E N -0.801 119.393 120.200 -0.010 0.000 2.122 128 E HA -0.077 4.231 4.350 -0.069 0.000 0.190 128 E C 1.949 178.535 176.600 -0.023 0.000 0.977 128 E CA 2.168 58.547 56.400 -0.035 0.000 0.820 128 E CB -0.233 29.459 29.700 -0.013 0.000 0.770 128 E HN -0.705 7.630 8.360 0.037 0.047 0.462 129 L N -0.522 120.724 121.223 0.038 0.000 2.095 129 L HA -0.139 4.208 4.340 0.012 0.000 0.204 129 L C 1.690 178.630 176.870 0.117 0.000 1.080 129 L CA 2.086 56.961 54.840 0.058 0.000 0.759 129 L CB -0.938 41.174 42.059 0.090 0.000 0.914 129 L HN -0.825 7.349 8.230 0.069 0.097 0.439 130 W N -0.843 120.460 121.300 0.004 0.000 2.363 130 W HA -0.272 4.505 4.660 0.195 0.000 0.296 130 W C 1.858 178.389 176.519 0.019 0.000 1.212 130 W CA 2.288 59.644 57.345 0.018 0.000 1.260 130 W CB -0.740 28.516 29.460 -0.340 0.000 1.131 130 W HN 0.336 8.682 8.180 0.277 0.000 0.530 131 L N -1.013 119.904 121.223 -0.509 0.000 2.034 131 L HA -0.447 3.406 4.340 -0.812 0.000 0.203 131 L C 2.190 178.924 176.870 -0.226 0.000 1.074 131 L CA 3.282 57.768 54.840 -0.589 0.000 0.748 131 L CB -0.140 41.581 42.059 -0.564 0.000 0.905 131 L HN -0.748 7.249 8.230 -0.366 0.013 0.439 132 C N -1.474 117.753 119.300 -0.123 0.000 2.397 132 C HA -0.448 3.989 4.460 -0.038 0.000 0.279 132 C C 2.416 177.345 174.990 -0.101 0.000 1.206 132 C CA 4.003 62.978 59.018 -0.071 0.000 1.818 132 C CB -1.790 25.922 27.740 -0.048 0.000 2.087 132 C HN 0.186 8.238 8.230 -0.116 0.109 0.488 133 T N 0.395 114.887 114.554 -0.103 0.000 2.894 133 T HA -0.163 4.053 4.350 -0.223 0.000 0.258 133 T C 1.636 176.337 174.700 0.002 0.000 1.043 133 T CA 3.677 65.678 62.100 -0.166 0.000 1.141 133 T CB -0.625 67.964 68.868 -0.464 0.000 0.873 133 T HN -0.584 7.579 8.240 -0.065 0.038 0.449 134 L N 0.486 121.763 121.223 0.090 0.000 2.007 134 L HA -0.124 4.330 4.340 0.191 0.000 0.205 134 L C 1.645 178.398 176.870 -0.195 0.000 1.073 134 L CA 3.209 58.085 54.840 0.060 0.000 0.744 134 L CB -1.005 41.106 42.059 0.086 0.000 0.898 134 L HN -0.720 7.455 8.230 0.063 0.093 0.435 135 L N -3.433 117.614 121.223 -0.293 0.000 2.021 135 L HA -0.362 3.484 4.340 -0.823 0.000 0.215 135 L C 1.675 178.308 176.870 -0.395 0.000 1.074 135 L CA 3.513 58.068 54.840 -0.476 0.000 0.760 135 L CB -1.974 39.911 42.059 -0.289 0.000 0.889 135 L HN 0.480 8.441 8.230 -0.255 0.116 0.433 136 A N -1.836 120.855 122.820 -0.214 0.000 1.930 136 A HA -0.295 3.938 4.320 -0.146 0.000 0.217 136 A C 2.271 179.765 177.584 -0.150 0.000 1.175 136 A CA 2.660 54.605 52.037 -0.153 0.000 0.627 136 A CB -0.795 18.144 19.000 -0.103 0.000 0.815 136 A HN -0.591 7.456 8.150 -0.170 0.001 0.443 137 V N -1.031 118.805 119.914 -0.130 0.000 2.343 137 V HA -0.386 3.711 4.120 -0.039 0.000 0.247 137 V C 1.154 177.168 176.094 -0.134 0.000 1.051 137 V CA 4.719 66.976 62.300 -0.071 0.000 1.036 137 V CB 0.558 32.404 31.823 0.039 0.000 0.654 137 V HN -0.490 7.518 8.190 -0.121 0.109 0.451 138 I N -5.852 114.534 120.570 -0.307 0.000 2.585 138 I HA 0.101 4.129 4.170 -0.237 0.000 0.254 138 I C 1.597 177.437 176.117 -0.461 0.000 1.129 138 I CA 0.853 61.873 61.300 -0.467 0.000 1.455 138 I CB 0.139 37.581 38.000 -0.930 0.000 1.111 138 I HN -0.249 7.740 8.210 -0.369 0.000 0.433 139 G N -1.037 107.468 108.800 -0.492 0.000 2.551 139 G HA2 -0.188 3.647 3.960 -0.209 0.000 0.216 139 G HA3 -0.188 3.609 3.960 -0.348 -0.046 0.216 139 G C 0.478 175.317 174.900 -0.101 0.000 1.137 139 G CA 0.965 45.888 45.100 -0.295 0.000 0.798 139 G HN 0.126 7.979 8.290 -0.542 0.111 0.536 140 E N 0.519 120.657 120.200 -0.103 0.000 3.846 140 E HA 0.352 4.694 4.350 -0.012 0.000 0.216 140 E C -0.669 175.916 176.600 -0.025 0.000 1.092 140 E CA -1.604 54.771 56.400 -0.041 0.000 1.370 140 E CB 0.179 29.853 29.700 -0.042 0.000 1.227 140 E HN -0.060 8.061 8.360 -0.155 0.146 0.442 141 T N 0.649 115.199 114.554 -0.006 0.000 3.088 141 T HA -0.049 4.304 4.350 0.004 0.000 0.259 141 T C 1.302 176.017 174.700 0.024 0.000 1.122 141 T CA 1.098 63.206 62.100 0.014 0.000 1.095 141 T CB -0.095 68.796 68.868 0.039 0.000 0.930 141 T HN -0.087 8.154 8.240 0.001 0.000 0.508 142 I N 0.264 120.850 120.570 0.026 0.000 2.143 142 I HA -0.395 3.795 4.170 0.032 0.000 0.245 142 I C 0.316 176.444 176.117 0.018 0.000 1.068 142 I CA 3.355 64.671 61.300 0.026 0.000 1.326 142 I CB 0.438 38.453 38.000 0.026 0.000 1.028 142 I HN -0.408 7.807 8.210 0.026 0.010 0.412 143 D N -6.950 113.457 120.400 0.012 0.000 2.890 143 D HA 0.053 4.698 4.640 0.009 0.000 0.306 143 D C -0.802 175.499 176.300 0.002 0.000 1.280 143 D CA -0.253 53.752 54.000 0.008 0.000 0.742 143 D CB 1.692 42.498 40.800 0.009 0.000 1.266 143 D HN -0.787 7.791 8.370 0.009 -0.203 0.433 144 E N -1.800 118.400 120.200 0.000 0.000 4.308 144 E HA -0.351 3.997 4.350 -0.003 0.000 0.178 144 E C -1.074 175.520 176.600 -0.009 0.000 1.202 144 E CA 3.188 59.585 56.400 -0.005 0.000 2.440 144 E CB -1.018 28.678 29.700 -0.007 0.000 1.767 144 E HN 0.580 8.942 8.360 0.003 0.000 0.455 145 D N -0.339 120.053 120.400 -0.014 0.000 2.196 145 D HA 0.083 4.707 4.640 -0.027 0.000 0.228 145 D C 1.539 177.840 176.300 0.000 0.000 1.028 145 D CA 1.858 55.846 54.000 -0.020 0.000 0.924 145 D CB 0.806 41.584 40.800 -0.036 0.000 1.025 145 D HN -0.002 8.456 8.370 -0.012 -0.095 0.438 146 D N -0.438 119.965 120.400 0.004 0.000 2.870 146 D HA 0.153 4.814 4.640 0.034 0.000 0.241 146 D C -0.530 175.782 176.300 0.019 0.000 1.234 146 D CA -0.740 53.273 54.000 0.022 0.000 0.844 146 D CB -1.204 39.609 40.800 0.022 0.000 1.051 146 D HN -0.469 7.897 8.370 -0.006 0.000 0.469 147 S N -1.349 114.357 115.700 0.011 0.000 2.407 147 S HA -0.380 4.213 4.470 0.010 -0.117 0.244 147 S C 0.507 175.114 174.600 0.012 0.000 1.077 147 S CA 2.808 61.014 58.200 0.009 0.000 1.159 147 S CB 0.285 63.488 63.200 0.005 0.000 1.045 147 S HN -0.374 7.826 8.310 0.008 0.114 0.438 148 Q N -3.960 115.846 119.800 0.011 0.000 2.073 148 Q HA 0.073 4.422 4.340 0.015 0.000 0.215 148 Q C -0.743 175.266 176.000 0.015 0.000 0.776 148 Q CA -0.848 54.961 55.803 0.010 0.000 1.008 148 Q CB 1.500 30.238 28.738 -0.001 0.000 1.196 148 Q HN -0.230 8.052 8.270 0.008 -0.007 0.458 149 I N -1.375 119.210 120.570 0.025 0.000 3.515 149 I HA -0.406 3.846 4.170 0.028 -0.065 0.276 149 I C 0.500 176.655 176.117 0.064 0.000 1.311 149 I CA 1.862 63.189 61.300 0.046 0.000 1.319 149 I CB 0.605 38.649 38.000 0.074 0.000 1.346 149 I HN -0.635 7.488 8.210 0.024 0.102 0.617 150 N N 0.002 118.763 118.700 0.102 0.000 2.557 150 N HA 0.216 5.122 4.740 0.070 -0.124 0.217 150 N C -0.925 174.698 175.510 0.188 0.000 1.062 150 N CA 0.226 53.339 53.050 0.104 0.000 0.863 150 N CB 3.479 42.003 38.487 0.061 0.000 1.390 150 N HN -0.167 8.292 8.380 0.130 0.000 0.445 151 G N -3.863 105.116 108.800 0.298 0.000 2.322 151 G HA2 0.332 4.490 3.960 0.330 0.000 0.295 151 G HA3 0.332 4.693 3.960 0.670 0.000 0.295 151 G C -3.438 171.667 174.900 0.342 0.000 1.369 151 G CA 0.409 45.772 45.100 0.438 0.000 0.821 151 G HN -0.626 7.842 8.290 0.297 0.000 0.536 152 V N -4.877 115.126 119.914 0.149 0.000 3.074 152 V HA 0.464 4.449 4.120 -0.225 0.000 0.314 152 V C -2.145 173.644 176.094 -0.509 0.000 1.117 152 V CA -2.527 59.669 62.300 -0.173 0.000 1.014 152 V CB 3.126 34.932 31.823 -0.028 0.000 1.057 152 V HN -0.274 7.995 8.190 0.132 0.000 0.438 153 V N -1.251 118.335 119.914 -0.547 0.000 3.159 153 V HA 0.510 4.419 4.120 -0.527 -0.105 0.308 153 V C -1.860 174.102 176.094 -0.220 0.000 1.190 153 V CA -1.291 60.701 62.300 -0.513 0.000 1.037 153 V CB 5.052 36.442 31.823 -0.722 0.000 1.060 153 V HN 0.773 8.584 8.190 -0.445 0.112 0.437 154 L N 1.508 122.630 121.223 -0.169 0.000 2.409 154 L HA 0.542 4.830 4.340 -0.086 0.000 0.262 154 L C -1.894 174.911 176.870 -0.107 0.000 0.992 154 L CA -0.757 54.047 54.840 -0.060 0.000 0.817 154 L CB 3.309 45.473 42.059 0.175 0.000 1.350 154 L HN 0.396 8.347 8.230 -0.349 0.069 0.411 155 S N 4.020 119.675 115.700 -0.074 0.000 2.545 155 S HA 0.497 5.292 4.470 -0.025 -0.341 0.259 155 S C -1.438 173.140 174.600 -0.038 0.000 1.092 155 S CA -0.044 58.125 58.200 -0.052 0.000 1.054 155 S CB 1.623 64.778 63.200 -0.075 0.000 1.146 155 S HN 0.676 8.871 8.310 -0.055 0.083 0.447 156 I N 4.279 124.845 120.570 -0.006 0.000 2.577 156 I HA 0.150 4.326 4.170 0.011 0.000 0.305 156 I C -1.862 174.258 176.117 0.005 0.000 0.986 156 I CA -0.999 60.308 61.300 0.012 0.000 1.189 156 I CB 2.401 40.422 38.000 0.035 0.000 1.355 156 I HN 0.739 8.825 8.210 0.005 0.127 0.476 157 R N 2.801 123.305 120.500 0.007 0.000 3.142 157 R HA 0.075 4.498 4.340 0.003 -0.082 0.260 157 R C -1.377 174.928 176.300 0.008 0.000 1.129 157 R CA -0.760 55.340 56.100 0.000 0.000 0.976 157 R CB 3.087 33.377 30.300 -0.017 0.000 1.396 157 R HN -0.117 8.164 8.270 0.019 0.000 0.434 158 K N -1.110 119.292 120.400 0.003 0.000 1.991 158 K HA -0.219 4.104 4.320 0.005 0.000 0.212 158 K C 2.016 178.631 176.600 0.024 0.000 1.049 158 K CA 2.584 58.876 56.287 0.008 0.000 0.932 158 K CB -0.272 32.230 32.500 0.004 0.000 0.717 158 K HN 0.183 8.432 8.250 -0.002 0.000 0.441 159 G N -3.696 105.113 108.800 0.015 0.000 2.606 159 G HA2 -0.255 3.719 3.960 0.023 0.000 0.221 159 G HA3 -0.255 3.704 3.960 -0.003 0.000 0.221 159 G C -0.231 174.708 174.900 0.065 0.000 1.152 159 G CA 1.798 46.911 45.100 0.021 0.000 0.765 159 G HN 0.033 8.324 8.290 0.002 0.000 0.595 160 G N -2.194 106.659 108.800 0.089 0.000 4.444 160 G HA2 -0.106 4.074 3.960 0.367 0.000 0.158 160 G HA3 -0.106 4.172 3.960 0.209 -0.193 0.158 160 G C -2.203 172.821 174.900 0.207 0.000 1.789 160 G CA -0.274 44.966 45.100 0.234 0.000 0.886 160 G HN -0.726 7.587 8.290 0.050 0.007 0.284 161 N N 0.583 119.327 118.700 0.074 0.000 3.171 161 N HA 0.106 4.883 4.740 0.061 0.000 0.239 161 N C -2.777 172.632 175.510 -0.167 0.000 1.275 161 N CA 0.349 53.434 53.050 0.059 0.000 0.920 161 N CB 2.526 41.169 38.487 0.259 0.000 1.554 161 N HN -0.377 8.004 8.380 0.001 0.000 0.504 162 K N -1.406 118.881 120.400 -0.187 0.000 2.619 162 K HA 0.774 4.951 4.320 -0.727 -0.293 0.251 162 K C -1.676 174.761 176.600 -0.272 0.000 0.987 162 K CA -1.091 54.945 56.287 -0.418 0.000 0.844 162 K CB 2.913 35.243 32.500 -0.284 0.000 1.237 162 K HN -0.009 8.147 8.250 -0.024 0.080 0.447 163 F N 1.023 120.750 119.950 -0.371 0.000 2.443 163 F HA 0.299 4.543 4.527 -0.472 0.000 0.335 163 F C -1.073 174.175 175.800 -0.920 0.000 1.104 163 F CA -3.671 54.028 58.000 -0.501 0.000 1.013 163 F CB 1.293 40.081 39.000 -0.353 0.000 1.136 163 F HN -0.128 7.432 8.300 -1.233 0.000 0.470 164 A N 0.737 123.253 122.820 -0.507 0.000 2.325 164 A HA 0.585 4.563 4.320 -0.838 -0.161 0.333 164 A C -2.013 175.271 177.584 -0.500 0.000 1.155 164 A CA -2.213 49.470 52.037 -0.591 0.000 0.814 164 A CB 2.763 21.583 19.000 -0.299 0.000 1.206 164 A HN 1.079 8.919 8.150 -0.293 0.134 0.482 165 L N 0.481 121.525 121.223 -0.299 0.000 2.372 165 L HA 0.506 4.773 4.340 -0.121 0.000 0.274 165 L C -2.369 174.693 176.870 0.320 0.000 0.988 165 L CA -0.162 54.648 54.840 -0.050 0.000 0.833 165 L CB 3.352 45.391 42.059 -0.033 0.000 1.236 165 L HN 0.563 8.542 8.230 -0.200 0.131 0.410 166 W N 5.914 127.290 121.300 0.126 0.000 2.433 166 W HA 0.865 5.818 4.660 0.125 -0.218 0.315 166 W C 0.255 176.791 176.519 0.028 0.000 1.087 166 W CA -3.349 54.058 57.345 0.105 0.000 1.205 166 W CB 1.664 31.200 29.460 0.127 0.000 1.288 166 W HN 1.135 9.316 8.180 0.158 0.094 0.504 167 T N -0.421 114.234 114.554 0.168 0.000 2.792 167 T HA 0.510 4.890 4.350 0.050 0.000 0.280 167 T C 0.435 175.125 174.700 -0.017 0.000 0.990 167 T CA -2.044 60.062 62.100 0.010 0.000 0.960 167 T CB 2.982 71.743 68.868 -0.177 0.000 0.939 167 T HN -0.007 8.336 8.240 0.171 0.000 0.439 168 K N 5.047 125.441 120.400 -0.011 0.000 2.207 168 K HA -0.409 3.883 4.320 -0.047 0.000 0.208 168 K C -0.085 176.471 176.600 -0.072 0.000 1.046 168 K CA 2.931 59.194 56.287 -0.040 0.000 0.929 168 K CB -0.065 32.420 32.500 -0.026 0.000 0.720 168 K HN 0.706 8.913 8.250 0.012 0.050 0.463 169 C N -5.641 113.618 119.300 -0.069 0.000 5.903 169 C HA -0.132 4.317 4.460 -0.061 -0.026 0.323 169 C C -1.608 173.353 174.990 -0.049 0.000 2.388 169 C CA 0.295 59.276 59.018 -0.063 0.000 2.157 169 C CB -1.104 26.596 27.740 -0.067 0.000 3.198 169 C HN -0.112 8.037 8.230 -0.070 0.039 0.295 170 E N 1.380 121.559 120.200 -0.035 0.000 2.360 170 E HA -0.389 3.952 4.350 -0.015 0.000 0.236 170 E C -1.130 175.465 176.600 -0.009 0.000 1.312 170 E CA 1.112 57.499 56.400 -0.021 0.000 0.714 170 E CB -2.047 27.639 29.700 -0.023 0.000 1.202 170 E HN 0.393 8.730 8.360 -0.038 0.000 0.386 171 D N -6.665 113.737 120.400 0.003 0.000 10.607 171 D HA -0.341 4.326 4.640 0.044 0.000 0.316 171 D C 0.083 176.411 176.300 0.047 0.000 3.080 171 D CA 1.033 55.052 54.000 0.031 0.000 2.757 171 D CB -0.739 40.080 40.800 0.031 0.000 1.188 171 D HN -0.712 7.617 8.370 -0.001 0.040 0.920 172 K N 2.063 122.531 120.400 0.113 0.000 2.155 172 K HA -0.311 4.104 4.320 0.158 0.000 0.203 172 K C 1.277 178.010 176.600 0.221 0.000 1.052 172 K CA 3.149 59.568 56.287 0.220 0.000 0.948 172 K CB 0.217 32.930 32.500 0.355 0.000 0.728 172 K HN 0.410 8.728 8.250 0.114 0.000 0.448 173 E N 0.182 120.471 120.200 0.148 0.000 2.035 173 E HA -0.237 4.205 4.350 0.155 0.000 0.204 173 E C -0.297 176.382 176.600 0.132 0.000 1.025 173 E CA 4.817 61.296 56.400 0.132 0.000 0.835 173 E CB -2.054 27.696 29.700 0.084 0.000 0.764 173 E HN 0.259 8.669 8.360 0.118 0.020 0.457 174 P HA -0.173 4.285 4.420 0.062 0.000 0.218 174 P C 1.126 178.455 177.300 0.048 0.000 1.146 174 P CA 2.477 65.609 63.100 0.053 0.000 0.813 174 P CB -0.517 31.193 31.700 0.016 0.000 0.778 175 L N -2.580 118.662 121.223 0.032 0.000 2.007 175 L HA -0.357 3.824 4.340 -0.264 0.000 0.205 175 L C 1.905 178.981 176.870 0.344 0.000 1.073 175 L CA 3.070 57.846 54.840 -0.106 0.000 0.744 175 L CB -0.702 41.030 42.059 -0.546 0.000 0.898 175 L HN -0.169 7.915 8.230 0.063 0.185 0.435 176 L N -2.446 119.140 121.223 0.604 0.000 2.211 176 L HA -0.431 4.519 4.340 1.016 0.000 0.216 176 L C 2.721 179.847 176.870 0.426 0.000 1.092 176 L CA 3.198 58.428 54.840 0.650 0.000 0.767 176 L CB -1.600 40.699 42.059 0.399 0.000 0.894 176 L HN 0.224 8.773 8.230 0.532 0.000 0.437 177 R N -1.531 119.134 120.500 0.275 0.000 2.055 177 R HA -0.241 4.206 4.340 0.179 0.000 0.226 177 R C 2.501 178.909 176.300 0.180 0.000 1.135 177 R CA 3.217 59.428 56.100 0.184 0.000 0.959 177 R CB -0.134 30.235 30.300 0.115 0.000 0.854 177 R HN -0.764 7.494 8.270 0.242 0.157 0.431 178 I N -0.465 120.198 120.570 0.155 0.000 2.127 178 I HA -0.478 3.751 4.170 0.098 0.000 0.241 178 I C 1.635 177.929 176.117 0.294 0.000 1.075 178 I CA 3.907 65.296 61.300 0.148 0.000 1.334 178 I CB -0.044 37.996 38.000 0.067 0.000 1.040 178 I HN -0.120 8.092 8.210 0.122 0.072 0.405 179 G N -2.101 106.967 108.800 0.447 0.000 2.529 179 G HA2 -0.477 3.935 3.960 0.753 0.000 0.219 179 G HA3 -0.477 3.991 3.960 0.846 0.000 0.219 179 G C 1.091 176.228 174.900 0.394 0.000 1.177 179 G CA 2.576 48.062 45.100 0.643 0.000 0.773 179 G HN 0.565 8.984 8.290 0.398 0.110 0.573 180 G N 0.644 109.640 108.800 0.326 0.000 2.556 180 G HA2 -0.451 3.638 3.960 0.217 0.000 0.220 180 G HA3 -0.451 3.623 3.960 0.190 0.000 0.220 180 G C 1.205 176.185 174.900 0.134 0.000 1.156 180 G CA 1.966 47.194 45.100 0.214 0.000 0.766 180 G HN -0.456 8.058 8.290 0.374 0.000 0.583 181 K N 1.694 122.155 120.400 0.102 0.000 2.026 181 K HA -0.306 4.009 4.320 -0.008 0.000 0.208 181 K C 2.549 179.114 176.600 -0.057 0.000 1.048 181 K CA 3.041 59.324 56.287 -0.007 0.000 0.929 181 K CB -0.168 32.288 32.500 -0.075 0.000 0.713 181 K HN -0.604 7.635 8.250 0.136 0.094 0.439 182 F N -0.969 118.942 119.950 -0.065 0.000 2.269 182 F HA -0.285 4.112 4.527 -0.218 0.000 0.301 182 F C 1.877 177.490 175.800 -0.312 0.000 1.082 182 F CA 3.003 60.838 58.000 -0.275 0.000 1.360 182 F CB -0.393 38.297 39.000 -0.515 0.000 1.041 182 F HN -0.316 8.026 8.300 0.189 0.072 0.512 183 K N 0.378 120.808 120.400 0.050 0.000 2.001 183 K HA -0.407 3.941 4.320 0.046 0.000 0.214 183 K C 2.950 179.573 176.600 0.038 0.000 1.050 183 K CA 3.736 60.057 56.287 0.056 0.000 0.934 183 K CB -0.360 32.207 32.500 0.112 0.000 0.718 183 K HN 0.384 8.453 8.250 0.120 0.252 0.443 184 Q N -0.949 118.868 119.800 0.028 0.000 2.135 184 Q HA -0.279 4.073 4.340 0.021 0.000 0.204 184 Q C 2.676 178.693 176.000 0.028 0.000 0.981 184 Q CA 3.280 59.095 55.803 0.019 0.000 0.856 184 Q CB -0.189 28.552 28.738 0.005 0.000 0.902 184 Q HN -0.591 7.697 8.270 0.030 0.000 0.425 185 V N -0.302 119.624 119.914 0.020 0.000 2.453 185 V HA -0.438 3.716 4.120 0.056 0.000 0.252 185 V C 0.822 177.010 176.094 0.158 0.000 1.068 185 V CA 3.506 65.850 62.300 0.074 0.000 1.070 185 V CB -0.654 31.224 31.823 0.090 0.000 0.664 185 V HN -0.531 7.563 8.190 -0.012 0.088 0.461 186 L N -6.826 114.470 121.223 0.123 0.000 2.549 186 L HA -0.194 4.310 4.340 0.274 0.000 0.229 186 L C 0.036 176.980 176.870 0.124 0.000 1.158 186 L CA 0.467 55.401 54.840 0.157 0.000 0.842 186 L CB -0.276 41.846 42.059 0.104 0.000 0.952 186 L HN -0.529 7.585 8.230 0.059 0.151 0.452 187 K N -3.775 116.674 120.400 0.082 0.000 3.192 187 K HA -0.401 3.986 4.320 0.036 -0.045 0.278 187 K C -1.009 175.595 176.600 0.007 0.000 1.164 187 K CA 0.713 57.028 56.287 0.047 0.000 0.816 187 K CB -2.084 30.452 32.500 0.060 0.000 1.256 187 K HN 0.200 8.250 8.250 0.076 0.246 0.497 188 L N -4.015 117.200 121.223 -0.013 0.000 2.946 188 L HA 0.260 4.519 4.340 -0.135 0.000 0.189 188 L C -0.444 176.384 176.870 -0.070 0.000 1.249 188 L CA 1.173 55.955 54.840 -0.097 0.000 1.098 188 L CB 0.583 42.542 42.059 -0.165 0.000 2.064 188 L HN -0.729 7.490 8.230 0.014 0.019 0.522 189 T N -2.056 112.444 114.554 -0.090 0.000 3.917 189 T HA 0.062 4.396 4.350 -0.027 0.000 0.205 189 T C -1.876 172.796 174.700 -0.046 0.000 0.545 189 T CA 0.574 62.645 62.100 -0.049 0.000 0.920 189 T CB -0.048 68.796 68.868 -0.039 0.000 1.300 189 T HN 0.365 8.518 8.240 -0.146 0.000 0.505 190 D N 0.851 121.235 120.400 -0.026 0.000 2.603 190 D HA -0.189 4.457 4.640 0.010 0.000 0.180 190 D C -0.910 175.380 176.300 -0.016 0.000 0.972 190 D CA 0.976 54.971 54.000 -0.009 0.000 1.022 190 D CB -1.000 39.795 40.800 -0.009 0.000 1.079 190 D HN 0.280 8.641 8.370 -0.014 0.000 0.455 191 D N -1.027 119.329 120.400 -0.072 0.000 2.378 191 D HA -0.103 4.511 4.640 -0.042 0.000 0.222 191 D C 1.597 177.922 176.300 0.041 0.000 0.980 191 D CA 1.297 55.240 54.000 -0.096 0.000 0.907 191 D CB 0.113 40.676 40.800 -0.395 0.000 0.899 191 D HN 0.105 8.302 8.370 -0.106 0.109 0.527 192 G N -2.875 105.964 108.800 0.066 0.000 3.078 192 G HA2 -0.389 3.649 3.960 0.129 0.000 0.227 192 G HA3 -0.389 3.663 3.960 0.152 0.000 0.227 192 G C -0.320 174.720 174.900 0.234 0.000 1.306 192 G CA 0.371 45.559 45.100 0.146 0.000 0.841 192 G HN -0.111 8.116 8.290 0.026 0.079 0.530 193 H N 1.902 121.013 119.070 0.068 0.000 1.828 193 H HA -0.395 4.187 4.556 0.048 0.004 0.285 193 H C -1.754 173.627 175.328 0.089 0.000 0.715 193 H CA 1.204 57.287 56.048 0.058 0.000 0.995 193 H CB -1.022 28.757 29.762 0.029 0.000 1.398 193 H HN 0.049 8.514 8.280 0.484 0.105 0.235 194 L N 0.725 122.028 121.223 0.134 0.000 3.025 194 L HA 0.099 4.613 4.340 0.122 -0.101 0.240 194 L C -2.664 174.173 176.870 -0.054 0.000 0.985 194 L CA 0.526 55.402 54.840 0.060 0.000 1.029 194 L CB 4.339 46.450 42.059 0.087 0.000 1.519 194 L HN -0.182 8.010 8.230 0.071 0.081 0.422 195 E N -0.562 119.432 120.200 -0.344 0.000 2.275 195 E HA 0.478 5.028 4.350 0.068 -0.159 0.270 195 E C -1.508 174.735 176.600 -0.595 0.000 0.882 195 E CA -1.390 54.883 56.400 -0.211 0.000 0.758 195 E CB 4.106 33.781 29.700 -0.042 0.000 1.195 195 E HN 0.733 8.783 8.360 -0.429 0.052 0.419 196 F N 1.992 121.767 119.950 -0.292 0.000 2.445 196 F HA 0.399 4.595 4.527 -0.794 -0.146 0.348 196 F C -1.710 173.912 175.800 -0.296 0.000 1.125 196 F CA -2.232 55.425 58.000 -0.572 0.000 0.983 196 F CB 1.534 40.048 39.000 -0.809 0.000 1.198 196 F HN 1.075 9.471 8.300 0.331 0.102 0.436 197 F N 2.252 122.171 119.950 -0.051 0.000 2.445 197 F HA 0.457 4.996 4.527 0.018 0.000 0.348 197 F C -2.419 173.426 175.800 0.075 0.000 1.125 197 F CA -2.480 55.540 58.000 0.033 0.000 0.983 197 F CB 3.779 42.821 39.000 0.069 0.000 1.198 197 F HN 0.968 9.273 8.300 0.204 0.118 0.436 198 P HA 0.318 5.008 4.420 0.236 -0.128 0.271 198 P C 1.027 178.330 177.300 0.005 0.000 1.220 198 P CA -0.605 62.558 63.100 0.104 0.000 0.768 198 P CB 0.150 31.839 31.700 -0.019 0.000 0.848 199 H N 4.291 123.327 119.070 -0.056 0.000 2.292 199 H HA -0.477 3.911 4.556 -0.279 0.000 0.292 199 H C 1.204 176.423 175.328 -0.182 0.000 1.100 199 H CA 4.250 60.182 56.048 -0.193 0.000 1.238 199 H CB -1.383 28.244 29.762 -0.225 0.000 1.355 199 H HN 1.028 9.397 8.280 0.362 0.127 0.484 200 C N -0.735 117.888 119.300 -1.130 0.000 2.397 200 C HA -0.316 3.768 4.460 -0.626 0.000 0.282 200 C C 1.953 176.729 174.990 -0.355 0.000 1.252 200 C CA 2.754 61.340 59.018 -0.721 0.000 1.811 200 C CB -2.249 25.096 27.740 -0.658 0.000 2.027 200 C HN 0.499 7.506 8.230 -2.042 -0.002 0.503 201 S N -1.218 114.347 115.700 -0.226 0.000 2.497 201 S HA -0.014 4.459 4.470 0.004 0.000 0.221 201 S C 1.638 176.249 174.600 0.017 0.000 1.037 201 S CA 2.184 60.367 58.200 -0.028 0.000 0.920 201 S CB 0.623 63.849 63.200 0.044 0.000 0.800 201 S HN 0.205 8.181 8.310 -0.243 0.188 0.505 202 A N 3.597 126.368 122.820 -0.081 0.000 1.859 202 A HA -0.319 4.037 4.320 0.061 0.000 0.217 202 A C 2.203 179.410 177.584 -0.628 0.000 1.198 202 A CA 3.190 55.077 52.037 -0.249 0.000 0.629 202 A CB -0.395 18.328 19.000 -0.462 0.000 0.830 202 A HN 0.133 7.996 8.150 -0.112 0.220 0.446 203 N N -2.050 116.240 118.700 -0.682 0.000 2.039 203 N HA -0.268 3.697 4.740 -1.293 0.000 0.193 203 N C 1.370 176.707 175.510 -0.288 0.000 1.044 203 N CA 2.222 54.849 53.050 -0.706 0.000 0.847 203 N CB -0.370 37.847 38.487 -0.450 0.000 1.030 203 N HN -0.328 7.740 8.380 -0.520 0.000 0.422 204 G N -2.267 106.457 108.800 -0.126 0.000 3.124 204 G HA2 0.090 4.064 3.960 0.024 0.000 0.212 204 G HA3 0.090 4.099 3.960 0.082 0.000 0.212 204 G C -0.824 174.139 174.900 0.106 0.000 1.181 204 G CA -0.757 44.361 45.100 0.030 0.000 0.803 204 G HN -0.118 8.076 8.290 -0.161 0.000 0.529 205 R N -4.226 116.343 120.500 0.115 0.000 3.358 205 R HA -0.647 3.911 4.340 0.254 -0.065 0.248 205 R C -0.661 175.732 176.300 0.155 0.000 0.981 205 R CA 0.706 56.920 56.100 0.191 0.000 0.662 205 R CB -3.196 27.218 30.300 0.191 0.000 1.037 205 R HN -0.828 7.240 8.270 0.039 0.225 0.460 206 H N 1.595 120.693 119.070 0.047 0.000 2.897 206 H HA -0.035 4.526 4.556 0.009 0.000 0.347 206 H C -1.019 174.324 175.328 0.026 0.000 1.068 206 H CA 0.490 56.545 56.048 0.012 0.000 1.426 206 H CB 0.834 30.574 29.762 -0.037 0.000 1.410 206 H HN -0.528 7.786 8.280 0.238 0.109 0.597 207 P HA -0.118 4.317 4.420 0.026 0.000 0.275 207 P C -1.325 175.970 177.300 -0.008 0.000 1.228 207 P CA 0.167 63.266 63.100 -0.003 0.000 0.786 207 P CB 0.678 32.348 31.700 -0.050 0.000 0.927 208 Q N -0.485 119.276 119.800 -0.066 0.000 2.430 208 Q HA -0.146 4.108 4.340 -0.144 0.000 0.333 208 Q C -1.405 174.478 176.000 -0.195 0.000 1.447 208 Q CA 0.038 55.769 55.803 -0.120 0.000 0.852 208 Q CB -1.111 27.586 28.738 -0.069 0.000 1.101 208 Q HN 0.301 8.537 8.270 -0.056 0.000 0.345 209 P HA -0.092 4.120 4.420 -0.346 0.000 0.199 209 P C -0.547 176.545 177.300 -0.346 0.000 1.146 209 P CA 1.051 63.829 63.100 -0.536 0.000 0.905 209 P CB 0.569 31.366 31.700 -1.506 0.000 0.737 210 S N -4.044 111.432 115.700 -0.373 0.000 3.984 210 S HA 0.054 4.394 4.470 -0.217 0.000 0.221 210 S C -1.166 173.260 174.600 -0.289 0.000 1.149 210 S CA 0.742 58.785 58.200 -0.261 0.000 0.950 210 S CB 2.202 65.280 63.200 -0.203 0.000 1.216 210 S HN -0.208 7.791 8.310 -0.518 0.000 0.547 211 I N -4.980 115.450 120.570 -0.235 0.000 3.033 211 I HA 0.398 4.467 4.170 -0.168 0.000 0.306 211 I C -2.463 173.731 176.117 0.127 0.000 1.473 211 I CA -0.697 60.497 61.300 -0.176 0.000 0.951 211 I CB 4.017 41.708 38.000 -0.515 0.000 1.338 211 I HN -0.572 7.552 8.210 -0.142 0.000 0.518 212 T N -1.203 113.417 114.554 0.110 0.000 3.262 212 T HA 0.595 5.299 4.350 0.227 -0.218 0.336 212 T C -0.805 173.972 174.700 0.128 0.000 0.911 212 T CA -0.927 61.264 62.100 0.152 0.000 1.154 212 T CB 0.906 69.823 68.868 0.082 0.000 1.007 212 T HN 0.021 8.275 8.240 0.023 0.000 0.488 213 L N 0.000 121.346 121.223 0.204 0.000 2.949 213 L HA 0.000 4.421 4.340 0.135 0.000 0.249 213 L CA 0.000 54.948 54.840 0.180 0.000 0.813 213 L CB 0.000 42.202 42.059 0.238 0.000 0.961 213 L HN 0.000 8.323 8.230 0.319 0.098 0.502