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 2kma_1_A DATA FIRST_RESID -5 DATA SEQUENCE GIDPFTMVAL SLKISIGNVV KTMQFEPSTM VYDACRMIRE RIPEALAGPP DATA SEQUENCE NDFGLFLSDD DPKKGIWLEA GKALDYYMLR NGDTMEYRKK QRPLKIRMLD DATA SEQUENCE GTVKTIMVDD SKTVTDMLMT ICARIGITNH DEYSLVRELM EEKKXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXDELNWL DHGRTLREQG VEEHETLLLR DATA SEQUENCE RKFFYSDQ 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 -5 G HA2 0.000 nan 3.960 nan 0.000 0.244 -5 G HA3 0.000 3.968 3.960 0.014 0.000 0.244 -5 G C 0.000 174.921 174.900 0.034 0.000 0.946 -5 G CA 0.000 45.116 45.100 0.026 0.000 0.502 -4 I N 2.946 123.525 120.570 0.014 0.000 2.213 -4 I HA 0.069 4.268 4.170 0.047 0.000 0.295 -4 I C -0.857 175.237 176.117 -0.037 0.000 1.172 -4 I CA 0.359 61.667 61.300 0.014 0.000 1.443 -4 I CB -0.722 37.282 38.000 0.006 0.000 1.491 -4 I HN 0.034 8.247 8.210 0.005 0.000 0.652 -3 D N 7.437 127.798 120.400 -0.065 0.000 2.341 -3 D HA 0.206 4.710 4.640 -0.226 0.000 0.245 -3 D C -1.676 174.326 176.300 -0.497 0.000 1.106 -3 D CA -1.317 52.507 54.000 -0.294 0.000 0.905 -3 D CB 0.880 41.443 40.800 -0.394 0.000 1.202 -3 D HN -0.365 7.989 8.370 0.035 0.037 0.426 -2 P HA 0.129 4.428 4.420 -0.201 0.000 0.280 -2 P C -1.406 175.568 177.300 -0.543 0.000 1.300 -2 P CA -0.244 62.636 63.100 -0.366 0.000 0.785 -2 P CB -0.036 31.534 31.700 -0.217 0.000 0.874 -1 F N 5.998 125.944 119.950 -0.008 0.000 2.453 -1 F HA 0.295 4.818 4.527 -0.005 0.000 0.358 -1 F C 0.598 176.393 175.800 -0.008 0.000 1.129 -1 F CA -1.078 56.916 58.000 -0.010 0.000 1.200 -1 F CB -0.342 38.645 39.000 -0.021 0.000 1.431 -1 F HN 0.030 8.335 8.300 0.009 0.000 0.503 0 T N -0.024 114.599 114.554 0.115 0.000 4.022 0 T HA 0.046 4.439 4.350 0.072 0.000 0.347 0 T C 1.180 175.928 174.700 0.081 0.000 1.227 0 T CA -0.881 61.265 62.100 0.076 0.000 0.898 0 T CB 0.923 69.813 68.868 0.036 0.000 2.033 0 T HN -0.224 8.055 8.240 0.064 0.000 0.525 1 M N 2.649 122.282 119.600 0.054 0.000 3.131 1 M HA 0.103 4.612 4.480 0.049 0.000 0.213 1 M C -1.549 174.784 176.300 0.055 0.000 1.307 1 M CA -0.870 54.459 55.300 0.048 0.000 1.263 1 M CB -1.692 30.927 32.600 0.032 0.000 1.419 1 M HN 0.256 8.571 8.290 0.042 0.000 0.446 2 V N -3.251 116.709 119.914 0.077 0.000 2.468 2 V HA 0.280 4.443 4.120 0.071 0.000 0.256 2 V C -2.183 173.986 176.094 0.125 0.000 0.998 2 V CA -1.813 60.538 62.300 0.085 0.000 1.114 2 V CB 0.685 32.550 31.823 0.070 0.000 1.378 2 V HN -0.584 7.533 8.190 0.096 0.131 0.573 3 A N 2.022 124.907 122.820 0.107 0.000 2.876 3 A HA 0.449 4.974 4.320 0.148 -0.116 0.309 3 A C -0.745 176.883 177.584 0.073 0.000 1.168 3 A CA -0.962 51.139 52.037 0.107 0.000 0.762 3 A CB 0.871 19.915 19.000 0.074 0.000 1.262 3 A HN -0.315 7.883 8.150 0.080 0.000 0.435 4 L N 1.048 122.334 121.223 0.105 0.000 2.693 4 L HA -0.240 4.144 4.340 0.074 0.000 0.292 4 L C -0.261 176.666 176.870 0.095 0.000 1.243 4 L CA 0.416 55.318 54.840 0.102 0.000 0.903 4 L CB 0.491 42.628 42.059 0.130 0.000 1.160 4 L HN -0.186 8.116 8.230 0.122 0.000 0.496 5 S N 1.291 117.028 115.700 0.062 0.000 2.404 5 S HA 0.242 4.726 4.470 0.023 0.000 0.309 5 S C -0.630 174.009 174.600 0.064 0.000 1.076 5 S CA -0.917 57.307 58.200 0.040 0.000 1.095 5 S CB 0.309 63.516 63.200 0.013 0.000 0.972 5 S HN 0.119 8.462 8.310 0.054 0.000 0.484 6 L N 5.999 127.286 121.223 0.106 0.000 2.341 6 L HA 0.738 5.307 4.340 0.077 -0.183 0.278 6 L C -0.544 176.382 176.870 0.094 0.000 1.005 6 L CA -1.656 53.256 54.840 0.120 0.000 0.818 6 L CB 2.920 45.102 42.059 0.206 0.000 1.259 6 L HN 1.060 9.251 8.230 0.110 0.105 0.418 7 K N 3.654 124.090 120.400 0.060 0.000 2.284 7 K HA 0.278 4.770 4.320 0.041 -0.147 0.287 7 K C -0.651 175.986 176.600 0.061 0.000 1.081 7 K CA -0.166 56.149 56.287 0.047 0.000 0.910 7 K CB 0.566 33.081 32.500 0.027 0.000 1.088 7 K HN 0.131 8.409 8.250 0.047 0.000 0.478 8 I N 8.592 129.207 120.570 0.075 0.000 2.322 8 I HA 0.478 4.972 4.170 0.103 -0.261 0.292 8 I C -0.931 175.230 176.117 0.074 0.000 1.060 8 I CA -2.134 59.222 61.300 0.093 0.000 1.309 8 I CB 0.768 38.834 38.000 0.110 0.000 1.415 8 I HN 1.112 9.260 8.210 0.064 0.100 0.492 9 S N 7.789 123.538 115.700 0.081 0.000 2.422 9 S HA 0.499 5.156 4.470 0.051 -0.157 0.298 9 S C -0.107 174.549 174.600 0.094 0.000 1.118 9 S CA -1.180 57.060 58.200 0.068 0.000 1.083 9 S CB 0.706 63.938 63.200 0.053 0.000 0.971 9 S HN -0.058 8.306 8.310 0.089 0.000 0.478 10 I N 6.969 127.588 120.570 0.082 0.000 2.442 10 I HA 0.264 4.677 4.170 0.141 -0.159 0.279 10 I C 0.451 176.610 176.117 0.070 0.000 1.081 10 I CA -1.081 60.279 61.300 0.101 0.000 1.197 10 I CB -0.987 37.065 38.000 0.087 0.000 1.394 10 I HN 0.575 8.820 8.210 0.057 0.000 0.488 11 G N 9.040 117.880 108.800 0.066 0.000 3.729 11 G HA2 -0.580 3.403 3.960 0.037 0.000 0.327 11 G HA3 -0.580 3.411 3.960 0.050 0.000 0.327 11 G C 0.084 175.002 174.900 0.030 0.000 1.293 11 G CA 1.974 47.101 45.100 0.045 0.000 1.011 11 G HN 0.223 8.557 8.290 0.074 0.000 0.673 12 N N 2.978 121.694 118.700 0.027 0.000 2.482 12 N HA 0.083 4.832 4.740 0.015 0.000 0.179 12 N C 0.525 176.045 175.510 0.016 0.000 1.039 12 N CA 0.293 53.354 53.050 0.018 0.000 0.884 12 N CB 1.322 39.817 38.487 0.013 0.000 1.113 12 N HN 0.015 8.413 8.380 0.031 0.000 0.440 13 V N 1.967 121.891 119.914 0.017 0.000 2.732 13 V HA 0.052 4.175 4.120 0.006 0.000 0.297 13 V C -1.620 174.483 176.094 0.015 0.000 1.060 13 V CA -0.261 62.045 62.300 0.010 0.000 1.038 13 V CB 1.630 33.455 31.823 0.003 0.000 1.003 13 V HN -0.581 7.622 8.190 0.021 0.000 0.481 14 V N 6.308 126.227 119.914 0.008 0.000 2.407 14 V HA 0.570 4.883 4.120 0.021 -0.181 0.291 14 V C -1.538 174.557 176.094 0.001 0.000 1.018 14 V CA -2.239 60.068 62.300 0.011 0.000 0.842 14 V CB 1.960 33.789 31.823 0.011 0.000 0.996 14 V HN 0.054 8.246 8.190 0.003 0.000 0.426 15 K N 9.000 129.402 120.400 0.002 0.000 2.203 15 K HA 0.452 4.759 4.320 -0.022 0.000 0.251 15 K C -1.363 175.233 176.600 -0.007 0.000 0.944 15 K CA -2.634 53.645 56.287 -0.014 0.000 0.829 15 K CB 3.210 35.692 32.500 -0.031 0.000 1.125 15 K HN 0.953 9.102 8.250 0.016 0.111 0.430 16 T N 4.733 119.271 114.554 -0.027 0.000 2.743 16 T HA 0.450 4.943 4.350 -0.002 -0.143 0.292 16 T C -0.811 173.848 174.700 -0.069 0.000 0.972 16 T CA 0.146 62.229 62.100 -0.028 0.000 0.967 16 T CB 0.852 69.699 68.868 -0.034 0.000 0.926 16 T HN 0.244 8.461 8.240 -0.038 0.000 0.459 17 M N 7.246 126.811 119.600 -0.059 0.000 2.457 17 M HA 0.388 4.709 4.480 -0.266 0.000 0.300 17 M C -2.254 173.899 176.300 -0.245 0.000 1.141 17 M CA -1.253 53.919 55.300 -0.212 0.000 0.901 17 M CB 4.552 37.012 32.600 -0.234 0.000 1.687 17 M HN 0.894 9.191 8.290 0.012 0.000 0.449 18 Q N 1.167 120.704 119.800 -0.438 0.000 2.312 18 Q HA 0.961 5.510 4.340 -0.094 -0.266 0.263 18 Q C -0.853 174.813 176.000 -0.557 0.000 0.995 18 Q CA -1.001 54.612 55.803 -0.316 0.000 0.853 18 Q CB 3.035 31.639 28.738 -0.224 0.000 1.300 18 Q HN 0.293 8.266 8.270 -0.495 0.000 0.448 19 F N 0.905 120.835 119.950 -0.034 0.000 2.603 19 F HA 0.316 4.834 4.527 -0.016 0.000 0.317 19 F C -0.158 175.676 175.800 0.057 0.000 1.066 19 F CA -1.332 56.669 58.000 0.001 0.000 0.941 19 F CB 3.800 42.805 39.000 0.009 0.000 1.291 19 F HN 0.143 8.545 8.300 0.170 0.000 0.472 20 E N 1.763 122.144 120.200 0.302 0.000 2.425 20 E HA 0.101 4.771 4.350 0.232 -0.181 0.258 20 E C -1.163 175.544 176.600 0.178 0.000 1.151 20 E CA -0.906 55.635 56.400 0.234 0.000 0.958 20 E CB -0.629 29.198 29.700 0.213 0.000 0.968 20 E HN -0.289 8.271 8.360 0.333 0.000 0.451 21 P HA -0.231 4.254 4.420 0.108 0.000 0.216 21 P C 0.730 178.093 177.300 0.104 0.000 1.153 21 P CA 2.659 65.824 63.100 0.108 0.000 0.858 21 P CB 0.319 32.070 31.700 0.085 0.000 0.789 22 S N -3.467 112.289 115.700 0.093 0.000 2.311 22 S HA -0.165 4.357 4.470 0.088 0.000 0.209 22 S C 1.115 175.754 174.600 0.066 0.000 1.029 22 S CA 3.667 61.914 58.200 0.078 0.000 0.968 22 S CB -0.431 62.804 63.200 0.058 0.000 0.946 22 S HN 0.109 8.473 8.310 0.090 0.000 0.450 23 T N 0.253 114.845 114.554 0.063 0.000 12.596 23 T HA -0.526 3.969 4.350 0.052 -0.114 0.419 23 T C -0.108 174.534 174.700 -0.096 0.000 1.441 23 T CA 3.005 65.125 62.100 0.032 0.000 2.379 23 T CB -0.550 68.371 68.868 0.088 0.000 2.842 23 T HN -0.102 8.187 8.240 0.081 0.000 0.775 24 M N -2.026 117.536 119.600 -0.063 0.000 4.047 24 M HA -0.559 4.105 4.480 0.033 -0.164 0.157 24 M C 0.524 176.758 176.300 -0.111 0.000 1.532 24 M CA 0.478 55.740 55.300 -0.062 0.000 1.097 24 M CB 0.436 32.990 32.600 -0.075 0.000 1.346 24 M HN 0.138 8.363 8.290 -0.011 0.058 0.190 25 V N 3.669 123.601 119.914 0.031 0.000 2.313 25 V HA -0.542 3.567 4.120 -0.018 0.000 0.253 25 V C 1.216 177.367 176.094 0.095 0.000 1.070 25 V CA 5.242 67.578 62.300 0.058 0.000 1.057 25 V CB -0.494 31.409 31.823 0.134 0.000 0.653 25 V HN 0.386 8.630 8.190 0.089 0.000 0.450 26 Y N -4.588 115.753 120.300 0.067 0.000 2.293 26 Y HA -0.046 4.560 4.550 0.092 0.000 0.291 26 Y C 1.631 177.587 175.900 0.092 0.000 1.137 26 Y CA 0.894 59.042 58.100 0.079 0.000 1.202 26 Y CB -1.085 37.412 38.460 0.062 0.000 0.990 26 Y HN -0.144 8.357 8.280 0.391 0.013 0.537 27 D N 0.287 120.397 120.400 -0.483 0.000 2.194 27 D HA -0.251 4.301 4.640 -0.147 0.000 0.204 27 D C 1.650 177.947 176.300 -0.005 0.000 0.964 27 D CA 2.166 56.012 54.000 -0.256 0.000 0.846 27 D CB 0.021 40.617 40.800 -0.341 0.000 0.962 27 D HN -0.298 7.482 8.370 -0.802 0.109 0.490 28 A N -0.150 122.664 122.820 -0.010 0.000 1.873 28 A HA -0.246 4.281 4.320 0.345 0.000 0.215 28 A C 1.554 179.237 177.584 0.166 0.000 1.186 28 A CA 3.485 55.561 52.037 0.065 0.000 0.616 28 A CB -0.397 18.395 19.000 -0.346 0.000 0.823 28 A HN -0.065 7.942 8.150 -0.103 0.082 0.442 29 C N -3.674 115.722 119.300 0.160 0.000 2.419 29 C HA -0.322 4.332 4.460 0.323 0.000 0.281 29 C C 1.872 176.969 174.990 0.177 0.000 1.336 29 C CA 2.625 61.799 59.018 0.260 0.000 1.770 29 C CB -0.482 27.454 27.740 0.327 0.000 1.929 29 C HN 0.389 8.692 8.230 0.123 0.000 0.509 30 R N 0.114 120.699 120.500 0.141 0.000 2.075 30 R HA -0.215 4.192 4.340 0.113 0.000 0.226 30 R C 1.647 177.990 176.300 0.070 0.000 1.114 30 R CA 2.746 58.910 56.100 0.108 0.000 0.972 30 R CB -0.649 29.713 30.300 0.104 0.000 0.869 30 R HN -0.859 7.361 8.270 0.134 0.131 0.437 31 M N -0.507 119.145 119.600 0.087 0.000 2.193 31 M HA -0.247 4.242 4.480 0.015 0.000 0.265 31 M C 2.122 178.418 176.300 -0.007 0.000 1.071 31 M CA 3.820 59.146 55.300 0.042 0.000 1.140 31 M CB 0.561 33.195 32.600 0.057 0.000 1.369 31 M HN -0.765 7.602 8.290 0.129 0.000 0.423 32 I N -0.153 120.435 120.570 0.030 0.000 2.226 32 I HA -0.430 3.685 4.170 -0.092 0.000 0.245 32 I C 0.885 176.875 176.117 -0.211 0.000 1.100 32 I CA 3.401 64.642 61.300 -0.098 0.000 1.374 32 I CB 0.280 38.195 38.000 -0.142 0.000 1.057 32 I HN 0.407 8.697 8.210 0.133 0.000 0.413 33 R N -1.127 119.266 120.500 -0.178 0.000 2.152 33 R HA -0.371 3.843 4.340 -0.211 0.000 0.232 33 R C 1.337 177.589 176.300 -0.079 0.000 1.117 33 R CA 3.085 59.105 56.100 -0.133 0.000 0.981 33 R CB -0.414 29.874 30.300 -0.019 0.000 0.870 33 R HN -0.758 7.443 8.270 -0.115 0.000 0.451 34 E N -1.559 118.607 120.200 -0.057 0.000 2.008 34 E HA -0.218 4.116 4.350 -0.027 0.000 0.191 34 E C 1.850 178.413 176.600 -0.062 0.000 0.986 34 E CA 2.474 58.849 56.400 -0.042 0.000 0.807 34 E CB -0.073 29.611 29.700 -0.027 0.000 0.766 34 E HN -0.820 7.326 8.360 -0.052 0.183 0.450 35 R N -4.189 116.260 120.500 -0.084 0.000 2.161 35 R HA -0.024 4.271 4.340 -0.075 0.000 0.213 35 R C 1.017 177.259 176.300 -0.097 0.000 1.055 35 R CA 1.084 57.129 56.100 -0.092 0.000 0.996 35 R CB 0.893 31.124 30.300 -0.115 0.000 0.901 35 R HN -0.359 7.857 8.270 -0.090 0.000 0.456 36 I N 2.078 122.577 120.570 -0.119 0.000 2.307 36 I HA 0.433 4.542 4.170 -0.102 0.000 0.287 36 I C -1.565 174.476 176.117 -0.126 0.000 1.054 36 I CA -2.795 58.430 61.300 -0.127 0.000 1.218 36 I CB 0.637 38.540 38.000 -0.161 0.000 1.398 36 I HN -0.255 7.876 8.210 -0.132 0.000 0.475 37 P HA 0.003 4.380 4.420 -0.073 0.000 0.229 37 P C 0.909 178.159 177.300 -0.084 0.000 1.160 37 P CA 1.372 64.427 63.100 -0.075 0.000 0.777 37 P CB 0.337 32.007 31.700 -0.050 0.000 0.814 38 E N -2.681 117.465 120.200 -0.090 0.000 2.482 38 E HA -0.119 4.194 4.350 -0.061 0.000 0.196 38 E C 0.093 176.615 176.600 -0.129 0.000 1.047 38 E CA 1.469 57.820 56.400 -0.081 0.000 0.869 38 E CB -1.743 27.924 29.700 -0.055 0.000 0.836 38 E HN 0.243 8.508 8.360 -0.089 0.041 0.520 39 A N -2.102 120.598 122.820 -0.200 0.000 1.930 39 A HA -0.031 4.166 4.320 -0.205 0.000 0.215 39 A C 0.024 177.352 177.584 -0.426 0.000 1.176 39 A CA 1.647 53.498 52.037 -0.309 0.000 0.632 39 A CB 0.675 19.337 19.000 -0.563 0.000 0.819 39 A HN -0.576 7.278 8.150 -0.186 0.184 0.445 40 L N -5.909 115.133 121.223 -0.301 0.000 2.556 40 L HA 0.243 4.235 4.340 -0.580 0.000 0.245 40 L C -0.675 176.136 176.870 -0.099 0.000 1.174 40 L CA -1.401 53.285 54.840 -0.257 0.000 1.117 40 L CB -2.492 39.546 42.059 -0.034 0.000 1.409 40 L HN -0.715 7.397 8.230 -0.198 0.000 0.411 41 A N -0.284 122.456 122.820 -0.133 0.000 2.239 41 A HA -0.051 4.308 4.320 0.064 0.000 0.209 41 A C -0.385 177.373 177.584 0.290 0.000 1.171 41 A CA 1.153 53.264 52.037 0.124 0.000 0.768 41 A CB 0.752 19.853 19.000 0.169 0.000 0.790 41 A HN -0.323 7.460 8.150 -0.532 0.048 0.478 42 G N -1.236 107.849 108.800 0.476 0.000 2.894 42 G HA2 0.095 4.183 3.960 0.214 0.000 0.164 42 G HA3 0.095 4.251 3.960 0.326 0.000 0.164 42 G C -3.384 171.736 174.900 0.367 0.000 1.180 42 G CA -0.221 45.101 45.100 0.370 0.000 0.997 42 G HN -0.355 8.165 8.290 0.540 0.094 0.572 43 P HA 0.534 5.058 4.420 0.175 0.000 0.287 43 P C -1.493 175.995 177.300 0.314 0.000 1.281 43 P CA -1.885 61.330 63.100 0.191 0.000 0.781 43 P CB -0.063 31.675 31.700 0.063 0.000 0.903 44 P HA -0.204 4.563 4.420 0.578 0.000 0.217 44 P C 0.910 178.382 177.300 0.286 0.000 1.148 44 P CA 2.471 65.801 63.100 0.383 0.000 0.828 44 P CB 0.221 32.062 31.700 0.235 0.000 0.783 45 N N -3.776 115.011 118.700 0.146 0.000 2.381 45 N HA -0.262 4.528 4.740 0.083 0.000 0.182 45 N C 0.339 175.836 175.510 -0.022 0.000 1.025 45 N CA 2.248 55.335 53.050 0.061 0.000 0.888 45 N CB -0.806 37.696 38.487 0.025 0.000 0.965 45 N HN 0.061 8.486 8.380 0.131 0.033 0.438 46 D N -2.046 118.295 120.400 -0.099 0.000 2.339 46 D HA 0.127 4.619 4.640 -0.247 0.000 0.217 46 D C -0.870 175.139 176.300 -0.485 0.000 1.050 46 D CA 1.741 55.549 54.000 -0.320 0.000 0.856 46 D CB 0.786 41.321 40.800 -0.442 0.000 0.922 46 D HN -0.174 8.012 8.370 -0.028 0.167 0.518 47 F N -1.312 118.598 119.950 -0.066 0.000 2.458 47 F HA 0.442 4.990 4.527 -0.196 -0.139 0.336 47 F C -0.175 175.481 175.800 -0.240 0.000 1.114 47 F CA -0.453 57.426 58.000 -0.201 0.000 0.987 47 F CB 2.676 41.548 39.000 -0.213 0.000 1.130 47 F HN -0.682 7.486 8.300 0.101 0.192 0.458 48 G N 1.133 109.902 108.800 -0.051 0.000 2.949 48 G HA2 0.634 4.638 3.960 0.074 0.000 0.285 48 G HA3 0.634 4.693 3.960 0.164 0.000 0.285 48 G C -2.748 172.244 174.900 0.154 0.000 1.395 48 G CA -1.681 43.469 45.100 0.084 0.000 0.901 48 G HN 0.567 8.867 8.290 0.016 0.000 0.519 49 L N -0.938 120.447 121.223 0.270 0.000 2.255 49 L HA 0.496 5.051 4.340 0.154 -0.123 0.289 49 L C -1.613 175.346 176.870 0.149 0.000 1.046 49 L CA -0.772 54.179 54.840 0.184 0.000 0.816 49 L CB 0.607 42.723 42.059 0.095 0.000 1.197 49 L HN 0.357 8.757 8.230 0.284 0.000 0.427 50 F N 6.179 125.981 119.950 -0.245 0.000 2.415 50 F HA 0.418 4.638 4.527 -0.692 -0.109 0.348 50 F C -2.632 172.942 175.800 -0.376 0.000 1.119 50 F CA -1.837 55.785 58.000 -0.630 0.000 1.069 50 F CB 3.419 41.740 39.000 -1.132 0.000 1.124 50 F HN 0.678 9.021 8.300 0.073 0.000 0.472 51 L N 8.027 128.673 121.223 -0.961 0.000 2.268 51 L HA 0.267 4.368 4.340 -0.398 0.000 0.289 51 L C -1.837 174.536 176.870 -0.829 0.000 1.064 51 L CA -1.084 53.349 54.840 -0.680 0.000 0.824 51 L CB 0.585 42.298 42.059 -0.576 0.000 1.202 51 L HN 0.432 7.958 8.230 -1.173 0.000 0.433 52 S N 6.859 122.333 115.700 -0.375 0.000 2.430 52 S HA 0.037 4.406 4.470 -0.168 0.000 0.289 52 S C -0.994 173.534 174.600 -0.119 0.000 1.143 52 S CA 0.295 58.412 58.200 -0.138 0.000 1.067 52 S CB 1.081 64.342 63.200 0.102 0.000 0.964 52 S HN 0.014 8.193 8.310 -0.219 0.000 0.485 53 D N 6.963 127.293 120.400 -0.118 0.000 2.584 53 D HA -0.055 4.538 4.640 -0.078 0.000 0.254 53 D C 0.345 176.629 176.300 -0.027 0.000 1.085 53 D CA 2.108 56.061 54.000 -0.077 0.000 0.971 53 D CB 1.051 41.799 40.800 -0.087 0.000 1.103 53 D HN 0.264 8.553 8.370 -0.134 0.000 0.453 54 D N -3.137 117.259 120.400 -0.006 0.000 1.096 54 D HA -0.118 4.532 4.640 0.018 0.000 0.840 54 D C -1.312 175.000 176.300 0.020 0.000 0.560 54 D CA 0.522 54.528 54.000 0.010 0.000 0.997 54 D CB 0.421 41.221 40.800 0.001 0.000 2.591 54 D HN -0.300 8.065 8.370 -0.009 0.000 0.292 55 D N 0.870 121.278 120.400 0.013 0.000 2.304 55 D HA 0.337 4.991 4.640 0.023 0.000 0.250 55 D C 0.110 176.431 176.300 0.035 0.000 1.107 55 D CA -2.560 51.452 54.000 0.020 0.000 0.885 55 D CB 1.623 42.430 40.800 0.011 0.000 1.192 55 D HN -0.670 7.895 8.370 0.001 -0.194 0.436 56 P HA -0.206 4.275 4.420 0.101 0.000 0.218 56 P C 0.371 177.711 177.300 0.067 0.000 1.148 56 P CA 1.995 65.136 63.100 0.068 0.000 0.822 56 P CB 0.263 31.993 31.700 0.050 0.000 0.784 57 K N -4.080 116.346 120.400 0.043 0.000 2.137 57 K HA -0.037 4.315 4.320 0.053 0.000 0.202 57 K C 1.889 178.503 176.600 0.024 0.000 1.052 57 K CA 0.775 57.086 56.287 0.039 0.000 0.961 57 K CB -0.237 32.282 32.500 0.031 0.000 0.741 57 K HN -0.121 8.371 8.250 0.034 -0.221 0.452 58 K N -2.398 118.006 120.400 0.006 0.000 2.217 58 K HA -0.104 4.210 4.320 -0.009 0.000 0.202 58 K C 1.283 177.837 176.600 -0.076 0.000 1.051 58 K CA 0.814 57.089 56.287 -0.021 0.000 0.952 58 K CB 0.297 32.784 32.500 -0.022 0.000 0.736 58 K HN -0.527 8.002 8.250 0.011 -0.272 0.453 59 G N -0.607 108.146 108.800 -0.078 0.000 2.406 59 G HA2 0.155 4.001 3.960 -0.395 0.000 0.251 59 G HA3 0.155 4.059 3.960 -0.093 0.000 0.251 59 G C -1.978 172.747 174.900 -0.291 0.000 1.271 59 G CA -0.038 44.918 45.100 -0.240 0.000 0.859 59 G HN -0.338 7.922 8.290 -0.013 0.023 0.540 60 I N -3.340 116.847 120.570 -0.639 0.000 3.095 60 I HA 0.505 4.611 4.170 -0.106 0.000 0.310 60 I C -1.745 174.027 176.117 -0.575 0.000 1.196 60 I CA -1.911 59.166 61.300 -0.372 0.000 0.985 60 I CB 3.951 41.846 38.000 -0.176 0.000 1.250 60 I HN -0.475 7.119 8.210 -1.028 0.000 0.446 61 W N 0.518 121.753 121.300 -0.107 0.000 2.365 61 W HA 0.271 4.914 4.660 -0.028 0.000 0.316 61 W C 0.014 176.476 176.519 -0.094 0.000 1.164 61 W CA -0.637 56.691 57.345 -0.028 0.000 1.204 61 W CB 1.204 30.722 29.460 0.096 0.000 1.213 61 W HN 0.040 8.372 8.180 0.254 0.000 0.539 62 L N 4.136 125.445 121.223 0.144 0.000 2.268 62 L HA 0.213 4.546 4.340 -0.011 0.000 0.289 62 L C -0.550 176.425 176.870 0.176 0.000 1.064 62 L CA -0.966 53.907 54.840 0.056 0.000 0.824 62 L CB -0.858 41.170 42.059 -0.052 0.000 1.202 62 L HN 0.865 9.108 8.230 0.197 0.104 0.433 63 E N 3.704 124.015 120.200 0.186 0.000 2.318 63 E HA 0.066 4.501 4.350 0.141 0.000 0.265 63 E C 0.538 177.229 176.600 0.152 0.000 1.069 63 E CA -1.075 55.418 56.400 0.155 0.000 0.893 63 E CB 1.410 31.191 29.700 0.135 0.000 1.076 63 E HN -0.181 8.307 8.360 0.213 0.000 0.414 64 A N 1.743 124.647 122.820 0.141 0.000 2.172 64 A HA -0.097 4.389 4.320 0.277 0.000 0.216 64 A C 0.883 178.568 177.584 0.168 0.000 1.154 64 A CA 2.039 54.199 52.037 0.204 0.000 0.701 64 A CB -0.599 18.498 19.000 0.162 0.000 0.789 64 A HN 0.377 8.592 8.150 0.108 0.000 0.465 65 G N -4.839 104.014 108.800 0.088 0.000 3.124 65 G HA2 -0.143 3.832 3.960 0.024 0.000 0.212 65 G HA3 -0.143 3.825 3.960 0.013 0.000 0.212 65 G C -0.504 174.397 174.900 0.002 0.000 1.181 65 G CA 0.029 45.150 45.100 0.035 0.000 0.803 65 G HN -0.051 8.230 8.290 0.085 0.060 0.529 66 K N -1.578 118.851 120.400 0.048 0.000 2.533 66 K HA 0.291 4.506 4.320 -0.174 0.000 0.272 66 K C -2.568 174.087 176.600 0.090 0.000 0.985 66 K CA -1.664 54.599 56.287 -0.040 0.000 0.876 66 K CB 2.865 35.324 32.500 -0.069 0.000 1.452 66 K HN -0.607 7.624 8.250 0.118 0.089 0.439 67 A N -0.921 121.952 122.820 0.089 0.000 2.242 67 A HA 0.226 4.607 4.320 0.103 0.000 0.304 67 A C 0.497 178.229 177.584 0.248 0.000 1.100 67 A CA -0.555 51.570 52.037 0.147 0.000 0.860 67 A CB 1.849 20.922 19.000 0.121 0.000 1.168 67 A HN 0.134 8.264 8.150 -0.034 0.000 0.503 68 L N -1.908 119.408 121.223 0.155 0.000 2.007 68 L HA -0.276 4.142 4.340 0.130 0.000 0.205 68 L C 2.443 179.423 176.870 0.184 0.000 1.073 68 L CA 2.979 57.896 54.840 0.129 0.000 0.744 68 L CB 0.095 42.167 42.059 0.021 0.000 0.898 68 L HN -0.013 8.279 8.230 0.104 0.000 0.435 69 D N -1.583 118.909 120.400 0.153 0.000 2.310 69 D HA -0.294 4.570 4.640 0.100 -0.164 0.212 69 D C 0.972 177.356 176.300 0.139 0.000 0.965 69 D CA 2.276 56.351 54.000 0.126 0.000 0.879 69 D CB 0.179 41.040 40.800 0.102 0.000 0.921 69 D HN -0.309 8.142 8.370 0.136 0.000 0.510 70 Y N -2.160 118.185 120.300 0.075 0.000 2.193 70 Y HA -0.337 4.209 4.550 -0.006 0.000 0.285 70 Y C -0.471 175.405 175.900 -0.040 0.000 1.166 70 Y CA 2.332 60.441 58.100 0.014 0.000 1.181 70 Y CB -0.130 38.334 38.460 0.007 0.000 0.976 70 Y HN -0.195 8.234 8.280 0.323 0.045 0.520 71 Y N -1.373 118.786 120.300 -0.234 0.000 2.986 71 Y HA -0.141 4.096 4.550 -0.523 0.000 0.509 71 Y C 1.094 176.884 175.900 -0.182 0.000 1.480 71 Y CA 0.846 58.766 58.100 -0.299 0.000 2.137 71 Y CB 0.733 39.108 38.460 -0.141 0.000 1.765 71 Y HN -0.716 7.748 8.280 0.325 0.010 0.675 72 M N -2.475 117.188 119.600 0.105 0.000 2.475 72 M HA 0.056 4.533 4.480 -0.005 0.000 0.283 72 M C -1.588 174.727 176.300 0.024 0.000 1.165 72 M CA -0.220 55.095 55.300 0.025 0.000 0.976 72 M CB -0.212 32.394 32.600 0.011 0.000 1.428 72 M HN -0.149 8.268 8.290 0.212 0.000 0.495 73 L N -0.506 120.744 121.223 0.044 0.000 2.349 73 L HA 0.505 5.132 4.340 0.007 -0.284 0.275 73 L C -0.138 176.754 176.870 0.036 0.000 1.115 73 L CA -0.345 54.510 54.840 0.026 0.000 0.820 73 L CB -0.128 41.942 42.059 0.019 0.000 1.135 73 L HN -0.696 7.509 8.230 0.082 0.075 0.445 74 R N -0.043 120.475 120.500 0.031 0.000 3.014 74 R HA 0.246 4.616 4.340 0.050 0.000 0.262 74 R C -1.942 174.381 176.300 0.038 0.000 1.066 74 R CA -2.151 53.971 56.100 0.038 0.000 0.939 74 R CB 0.997 31.314 30.300 0.027 0.000 1.372 74 R HN 0.931 9.594 8.270 0.022 -0.380 0.431 75 N N 1.950 120.671 118.700 0.035 0.000 2.396 75 N HA -0.487 4.492 4.740 0.037 -0.217 0.287 75 N C 0.261 175.783 175.510 0.021 0.000 1.316 75 N CA 1.847 54.915 53.050 0.030 0.000 0.972 75 N CB -0.804 37.697 38.487 0.024 0.000 1.341 75 N HN 0.243 8.643 8.380 0.034 0.000 0.487 76 G N 4.579 113.391 108.800 0.021 0.000 2.425 76 G HA2 -0.256 3.711 3.960 0.012 0.000 0.177 76 G HA3 -0.256 3.709 3.960 0.009 0.000 0.177 76 G C -1.083 173.823 174.900 0.010 0.000 0.999 76 G CA -0.254 44.853 45.100 0.013 0.000 0.723 76 G HN 0.535 8.843 8.290 0.030 0.000 0.491 77 D N 2.257 122.664 120.400 0.011 0.000 2.302 77 D HA 0.198 4.832 4.640 -0.009 0.000 0.248 77 D C -0.744 175.558 176.300 0.003 0.000 1.094 77 D CA 0.636 54.635 54.000 -0.002 0.000 0.897 77 D CB 1.561 42.352 40.800 -0.014 0.000 1.200 77 D HN -0.368 8.014 8.370 0.020 0.000 0.429 78 T N 4.563 119.112 114.554 -0.008 0.000 2.743 78 T HA 0.207 4.716 4.350 0.018 -0.148 0.293 78 T C -1.300 173.390 174.700 -0.016 0.000 0.945 78 T CA 0.262 62.362 62.100 0.001 0.000 1.030 78 T CB 0.823 69.693 68.868 0.003 0.000 0.912 78 T HN 0.427 8.657 8.240 -0.018 0.000 0.483 79 M N 8.182 127.786 119.600 0.007 0.000 2.085 79 M HA 0.370 4.812 4.480 -0.064 0.000 0.309 79 M C -2.410 173.922 176.300 0.053 0.000 0.947 79 M CA -0.894 54.400 55.300 -0.011 0.000 0.918 79 M CB 3.459 36.042 32.600 -0.028 0.000 1.504 79 M HN 0.983 9.169 8.290 0.035 0.125 0.420 80 E N 8.744 128.981 120.200 0.063 0.000 2.290 80 E HA 0.047 4.612 4.350 0.119 -0.144 0.277 80 E C -2.063 174.639 176.600 0.170 0.000 1.035 80 E CA -0.831 55.641 56.400 0.121 0.000 0.873 80 E CB 2.168 31.957 29.700 0.148 0.000 1.029 80 E HN 0.365 8.736 8.360 0.020 0.000 0.419 81 Y N 8.895 129.243 120.300 0.079 0.000 2.454 81 Y HA 0.341 5.125 4.550 0.154 -0.141 0.345 81 Y C -2.015 173.986 175.900 0.168 0.000 0.970 81 Y CA -0.219 57.952 58.100 0.118 0.000 1.204 81 Y CB 1.072 39.573 38.460 0.070 0.000 1.122 81 Y HN -0.297 8.145 8.280 0.270 0.000 0.514 82 R N 5.276 125.783 120.500 0.012 0.000 2.905 82 R HA 0.458 4.945 4.340 0.245 0.000 0.260 82 R C -1.667 174.798 176.300 0.276 0.000 1.086 82 R CA -2.617 53.587 56.100 0.173 0.000 0.978 82 R CB 3.360 33.716 30.300 0.093 0.000 1.215 82 R HN 0.212 8.438 8.270 -0.073 0.000 0.480 83 K N 0.138 120.684 120.400 0.242 0.000 2.416 83 K HA -0.213 3.995 4.320 -0.433 -0.147 0.283 83 K C 0.761 177.370 176.600 0.016 0.000 1.037 83 K CA 1.278 57.497 56.287 -0.113 0.000 0.995 83 K CB 0.192 32.549 32.500 -0.239 0.000 0.938 83 K HN 0.342 8.742 8.250 0.251 0.000 0.475 84 K N 4.109 124.401 120.400 -0.180 0.000 2.160 84 K HA -0.278 3.505 4.320 -0.894 0.000 0.206 84 K C 0.701 177.033 176.600 -0.446 0.000 1.047 84 K CA 2.172 58.159 56.287 -0.500 0.000 0.930 84 K CB 0.245 32.449 32.500 -0.494 0.000 0.720 84 K HN 0.686 8.647 8.250 -0.278 0.122 0.450 85 Q N -3.838 115.806 119.800 -0.261 0.000 2.205 85 Q HA 0.464 4.849 4.340 -0.209 -0.170 0.249 85 Q C -0.274 175.670 176.000 -0.093 0.000 0.948 85 Q CA -0.723 54.966 55.803 -0.189 0.000 0.895 85 Q CB 2.180 30.804 28.738 -0.190 0.000 1.249 85 Q HN -0.604 7.470 8.270 -0.266 0.037 0.458 86 R N -2.062 118.397 120.500 -0.068 0.000 2.771 86 R HA 0.509 4.827 4.340 -0.037 0.000 0.274 86 R C -2.849 173.423 176.300 -0.047 0.000 0.987 86 R CA -3.556 52.521 56.100 -0.038 0.000 0.908 86 R CB -0.114 30.179 30.300 -0.011 0.000 1.213 86 R HN 0.299 8.520 8.270 -0.083 0.000 0.468 87 P HA -0.050 4.344 4.420 -0.043 0.000 0.264 87 P C -1.590 175.688 177.300 -0.036 0.000 1.236 87 P CA 0.008 63.087 63.100 -0.034 0.000 0.811 87 P CB -0.650 31.038 31.700 -0.020 0.000 0.840 88 L N 6.092 127.287 121.223 -0.047 0.000 2.272 88 L HA 0.240 4.548 4.340 -0.053 0.000 0.289 88 L C -0.830 176.008 176.870 -0.052 0.000 1.032 88 L CA -0.952 53.855 54.840 -0.054 0.000 0.810 88 L CB 1.735 43.756 42.059 -0.063 0.000 1.205 88 L HN 0.269 8.468 8.230 -0.052 0.000 0.422 89 K N 5.491 125.860 120.400 -0.051 0.000 2.284 89 K HA 0.215 4.639 4.320 -0.045 -0.131 0.287 89 K C -1.303 175.259 176.600 -0.064 0.000 1.081 89 K CA -0.518 55.739 56.287 -0.049 0.000 0.910 89 K CB -0.199 32.279 32.500 -0.038 0.000 1.088 89 K HN 0.626 8.844 8.250 -0.053 0.000 0.478 90 I N 4.382 124.913 120.570 -0.065 0.000 2.465 90 I HA 0.947 5.366 4.170 -0.087 -0.301 0.291 90 I C -1.502 174.571 176.117 -0.074 0.000 1.014 90 I CA -2.821 58.432 61.300 -0.077 0.000 1.093 90 I CB 3.219 41.171 38.000 -0.080 0.000 1.267 90 I HN 0.982 9.157 8.210 -0.057 0.000 0.431 91 R N 6.499 126.950 120.500 -0.081 0.000 2.295 91 R HA 0.420 4.881 4.340 -0.062 -0.159 0.324 91 R C -1.007 175.243 176.300 -0.083 0.000 0.968 91 R CA -1.354 54.702 56.100 -0.072 0.000 0.837 91 R CB 2.607 32.867 30.300 -0.067 0.000 1.133 91 R HN 0.505 8.719 8.270 -0.093 0.000 0.450 92 M N 6.018 125.572 119.600 -0.076 0.000 2.012 92 M HA 0.051 4.454 4.480 -0.130 0.000 0.248 92 M C 0.881 177.143 176.300 -0.063 0.000 1.238 92 M CA -1.720 53.525 55.300 -0.092 0.000 0.980 92 M CB 0.921 33.471 32.600 -0.083 0.000 1.346 92 M HN 1.139 9.264 8.290 -0.064 0.127 0.511 93 L N -0.562 120.627 121.223 -0.056 0.000 2.042 93 L HA -0.239 4.102 4.340 0.001 0.000 0.210 93 L C 1.581 178.457 176.870 0.010 0.000 1.076 93 L CA 3.067 57.905 54.840 -0.003 0.000 0.749 93 L CB -1.340 40.747 42.059 0.046 0.000 0.893 93 L HN 0.169 8.348 8.230 -0.084 0.000 0.432 94 D N -3.747 116.656 120.400 0.005 0.000 2.371 94 D HA -0.106 4.545 4.640 0.018 0.000 0.221 94 D C 0.816 177.115 176.300 -0.001 0.000 0.986 94 D CA 0.373 54.379 54.000 0.009 0.000 0.899 94 D CB 0.204 41.009 40.800 0.009 0.000 0.902 94 D HN -0.178 8.190 8.370 -0.003 0.000 0.530 95 G N -1.963 106.829 108.800 -0.012 0.000 2.144 95 G HA2 -0.251 3.732 3.960 -0.024 0.000 0.218 95 G HA3 -0.251 3.703 3.960 -0.011 0.000 0.218 95 G C -0.946 173.940 174.900 -0.023 0.000 0.988 95 G CA -0.035 45.054 45.100 -0.018 0.000 0.659 95 G HN -0.190 7.870 8.290 -0.018 0.218 0.522 96 T N 1.480 116.018 114.554 -0.026 0.000 2.794 96 T HA 0.025 4.362 4.350 -0.022 0.000 0.296 96 T C -1.316 173.362 174.700 -0.037 0.000 0.949 96 T CA 0.523 62.607 62.100 -0.027 0.000 1.101 96 T CB 0.843 69.697 68.868 -0.024 0.000 0.905 96 T HN -0.462 7.725 8.240 -0.026 0.037 0.516 97 V N 7.399 127.293 119.914 -0.034 0.000 2.483 97 V HA 0.812 5.123 4.120 -0.048 -0.220 0.295 97 V C -1.550 174.522 176.094 -0.037 0.000 1.035 97 V CA -2.451 59.825 62.300 -0.039 0.000 0.896 97 V CB 3.173 34.974 31.823 -0.036 0.000 0.986 97 V HN 0.273 8.447 8.190 -0.028 0.000 0.447 98 K N 7.431 127.806 120.400 -0.043 0.000 2.482 98 K HA 0.515 4.814 4.320 -0.034 0.000 0.257 98 K C -1.824 174.751 176.600 -0.042 0.000 0.969 98 K CA -1.621 54.642 56.287 -0.040 0.000 0.842 98 K CB 3.898 36.373 32.500 -0.042 0.000 1.359 98 K HN 1.104 9.324 8.250 -0.050 0.000 0.441 99 T N 3.890 118.421 114.554 -0.038 0.000 2.772 99 T HA 0.861 5.448 4.350 -0.043 -0.264 0.288 99 T C -1.023 173.651 174.700 -0.044 0.000 0.994 99 T CA -0.079 61.997 62.100 -0.039 0.000 0.951 99 T CB 0.611 69.461 68.868 -0.031 0.000 0.933 99 T HN 0.192 8.412 8.240 -0.034 0.000 0.447 100 I N 7.122 127.660 120.570 -0.052 0.000 2.646 100 I HA 0.299 4.436 4.170 -0.055 0.000 0.299 100 I C -2.075 174.002 176.117 -0.066 0.000 1.036 100 I CA -2.938 58.327 61.300 -0.058 0.000 1.074 100 I CB 3.833 41.796 38.000 -0.062 0.000 1.258 100 I HN 0.435 8.613 8.210 -0.054 0.000 0.430 101 M N 6.928 126.483 119.600 -0.075 0.000 2.077 101 M HA 0.197 4.807 4.480 -0.081 -0.179 0.348 101 M C -0.955 175.281 176.300 -0.106 0.000 1.252 101 M CA -1.468 53.778 55.300 -0.090 0.000 1.096 101 M CB -1.279 31.259 32.600 -0.104 0.000 1.568 101 M HN 0.330 8.576 8.290 -0.073 0.000 0.456 102 V N 2.520 122.370 119.914 -0.106 0.000 2.495 102 V HA 0.226 4.270 4.120 -0.127 0.000 0.298 102 V C -1.145 174.857 176.094 -0.154 0.000 1.031 102 V CA -2.230 59.997 62.300 -0.120 0.000 0.871 102 V CB 2.698 34.462 31.823 -0.097 0.000 0.988 102 V HN -0.175 7.959 8.190 -0.093 0.000 0.432 103 D N 6.108 126.387 120.400 -0.202 0.000 2.493 103 D HA -0.288 4.291 4.640 -0.361 -0.156 0.240 103 D C -0.512 175.601 176.300 -0.312 0.000 1.142 103 D CA 1.291 55.103 54.000 -0.313 0.000 0.872 103 D CB 1.022 41.623 40.800 -0.330 0.000 1.173 103 D HN 0.436 8.696 8.370 -0.183 0.000 0.467 104 D N 7.190 127.341 120.400 -0.414 0.000 2.339 104 D HA -0.008 4.567 4.640 -0.108 0.000 0.217 104 D C 0.349 176.407 176.300 -0.404 0.000 1.050 104 D CA 0.972 54.843 54.000 -0.216 0.000 0.856 104 D CB 0.598 41.500 40.800 0.170 0.000 0.922 104 D HN 0.718 8.639 8.370 -0.570 0.107 0.518 105 S N -1.042 114.128 115.700 -0.884 0.000 2.710 105 S HA -0.009 4.206 4.470 -0.426 0.000 0.224 105 S C -0.989 173.475 174.600 -0.227 0.000 0.948 105 S CA 0.076 57.883 58.200 -0.655 0.000 0.949 105 S CB -0.411 62.308 63.200 -0.802 0.000 0.778 105 S HN -0.267 7.835 8.310 -0.985 -0.383 0.498 106 K N -0.899 119.399 120.400 -0.170 0.000 2.533 106 K HA 0.275 4.568 4.320 -0.044 0.000 0.272 106 K C -1.370 175.210 176.600 -0.033 0.000 0.985 106 K CA -1.498 54.741 56.287 -0.080 0.000 0.876 106 K CB 1.551 33.991 32.500 -0.101 0.000 1.452 106 K HN -1.047 6.972 8.250 -0.199 0.112 0.439 107 T N -3.917 110.638 114.554 0.003 0.000 2.681 107 T HA -0.049 4.320 4.350 0.031 0.000 0.333 107 T C 1.492 176.213 174.700 0.035 0.000 1.049 107 T CA -1.204 60.914 62.100 0.030 0.000 1.002 107 T CB 0.764 69.664 68.868 0.053 0.000 1.161 107 T HN -0.304 7.938 8.240 0.004 0.000 0.519 108 V N -0.284 119.667 119.914 0.062 0.000 2.346 108 V HA -0.195 3.936 4.120 0.018 0.000 0.244 108 V C 1.686 177.918 176.094 0.229 0.000 1.037 108 V CA 3.717 66.056 62.300 0.065 0.000 1.029 108 V CB -0.023 31.763 31.823 -0.061 0.000 0.663 108 V HN 0.488 8.719 8.190 0.068 0.000 0.454 109 T N 1.307 116.084 114.554 0.372 0.000 2.624 109 T HA -0.483 4.130 4.350 0.439 0.000 0.268 109 T C 1.302 176.100 174.700 0.162 0.000 1.041 109 T CA 4.955 67.249 62.100 0.324 0.000 1.159 109 T CB -0.326 68.647 68.868 0.175 0.000 0.863 109 T HN -0.345 8.090 8.240 0.325 0.000 0.434 110 D N 0.305 120.753 120.400 0.079 0.000 2.218 110 D HA -0.223 4.392 4.640 -0.042 0.000 0.204 110 D C 1.484 177.757 176.300 -0.045 0.000 0.976 110 D CA 3.245 57.239 54.000 -0.010 0.000 0.853 110 D CB -0.023 40.766 40.800 -0.020 0.000 0.939 110 D HN 0.081 8.504 8.370 0.088 0.000 0.481 111 M N 0.561 120.158 119.600 -0.005 0.000 2.099 111 M HA -0.354 4.089 4.480 -0.060 0.000 0.262 111 M C 1.829 178.117 176.300 -0.021 0.000 1.067 111 M CA 3.931 59.215 55.300 -0.026 0.000 1.124 111 M CB -0.029 32.562 32.600 -0.016 0.000 1.353 111 M HN -0.830 7.350 8.290 0.035 0.131 0.410 112 L N -0.564 120.695 121.223 0.059 0.000 2.083 112 L HA -0.360 4.012 4.340 0.053 0.000 0.209 112 L C 1.450 178.298 176.870 -0.036 0.000 1.083 112 L CA 3.520 58.416 54.840 0.093 0.000 0.752 112 L CB -0.323 41.924 42.059 0.314 0.000 0.899 112 L HN 0.406 8.638 8.230 0.127 0.074 0.433 113 M N -0.847 118.603 119.600 -0.250 0.000 2.082 113 M HA -0.498 3.317 4.480 -1.110 0.000 0.258 113 M C 1.819 177.942 176.300 -0.294 0.000 1.069 113 M CA 4.012 58.908 55.300 -0.673 0.000 1.102 113 M CB -0.266 31.886 32.600 -0.746 0.000 1.336 113 M HN 0.288 8.493 8.290 -0.143 0.000 0.404 114 T N 1.159 115.603 114.554 -0.184 0.000 2.788 114 T HA -0.333 3.941 4.350 -0.127 0.000 0.268 114 T C 2.345 176.986 174.700 -0.098 0.000 1.044 114 T CA 4.592 66.617 62.100 -0.126 0.000 1.139 114 T CB -0.289 68.514 68.868 -0.108 0.000 0.867 114 T HN -0.458 7.593 8.240 -0.168 0.087 0.454 115 I N 1.549 122.068 120.570 -0.085 0.000 2.233 115 I HA -0.366 3.760 4.170 -0.073 0.000 0.243 115 I C 1.682 177.757 176.117 -0.071 0.000 1.093 115 I CA 3.911 65.167 61.300 -0.073 0.000 1.380 115 I CB -0.092 37.869 38.000 -0.066 0.000 1.067 115 I HN -0.131 7.929 8.210 -0.082 0.101 0.413 116 C N -1.177 118.087 119.300 -0.060 0.000 2.432 116 C HA -0.319 4.091 4.460 -0.082 0.000 0.280 116 C C 1.927 176.901 174.990 -0.026 0.000 1.353 116 C CA 2.969 61.963 59.018 -0.040 0.000 1.766 116 C CB -1.942 25.832 27.740 0.057 0.000 1.924 116 C HN 0.584 8.674 8.230 -0.051 0.110 0.509 117 A N -0.893 121.899 122.820 -0.047 0.000 2.015 117 A HA -0.107 4.200 4.320 -0.021 0.000 0.219 117 A C 1.375 178.935 177.584 -0.039 0.000 1.163 117 A CA 2.572 54.584 52.037 -0.042 0.000 0.646 117 A CB -0.553 18.407 19.000 -0.067 0.000 0.806 117 A HN -0.156 7.926 8.150 -0.073 0.024 0.448 118 R N -2.127 118.344 120.500 -0.048 0.000 2.090 118 R HA -0.209 4.106 4.340 -0.040 0.000 0.228 118 R C 1.317 177.596 176.300 -0.036 0.000 1.110 118 R CA 1.870 57.944 56.100 -0.044 0.000 0.973 118 R CB -0.535 29.735 30.300 -0.050 0.000 0.869 118 R HN -0.445 7.638 8.270 -0.056 0.153 0.440 119 I N -4.743 115.804 120.570 -0.038 0.000 2.716 119 I HA -0.002 4.150 4.170 -0.030 0.000 0.259 119 I C 1.024 177.130 176.117 -0.017 0.000 1.172 119 I CA -0.107 61.174 61.300 -0.032 0.000 1.478 119 I CB -0.255 37.718 38.000 -0.045 0.000 1.104 119 I HN -0.915 7.178 8.210 -0.045 0.090 0.439 120 G N -0.717 108.075 108.800 -0.013 0.000 2.151 120 G HA2 -0.330 3.627 3.960 -0.004 0.000 0.156 120 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.156 120 G C -0.800 174.108 174.900 0.012 0.000 1.017 120 G CA -0.349 44.750 45.100 -0.002 0.000 0.686 120 G HN -0.408 7.754 8.290 -0.017 0.117 0.503 121 I N 0.282 120.866 120.570 0.024 0.000 2.365 121 I HA 0.107 4.305 4.170 0.046 0.000 0.291 121 I C -0.632 175.531 176.117 0.077 0.000 1.004 121 I CA -0.323 61.013 61.300 0.060 0.000 1.311 121 I CB 0.093 38.158 38.000 0.109 0.000 1.401 121 I HN 0.095 8.214 8.210 0.012 0.098 0.491 122 T N 5.281 119.867 114.554 0.054 0.000 3.010 122 T HA -0.157 4.241 4.350 0.078 0.000 0.252 122 T C -0.280 174.466 174.700 0.076 0.000 1.047 122 T CA 1.839 63.974 62.100 0.058 0.000 1.140 122 T CB 0.631 69.508 68.868 0.015 0.000 0.885 122 T HN 0.490 8.745 8.240 0.026 0.000 0.464 123 N N 1.456 120.155 118.700 -0.002 0.000 3.034 123 N HA 0.011 4.688 4.740 -0.105 0.000 0.265 123 N C 0.012 175.500 175.510 -0.037 0.000 1.166 123 N CA -1.066 51.923 53.050 -0.102 0.000 1.081 123 N CB -1.952 36.377 38.487 -0.263 0.000 1.378 123 N HN 0.028 8.390 8.380 -0.028 0.000 0.520 124 H N -0.556 118.553 119.070 0.065 0.000 2.548 124 H HA 0.021 4.888 4.556 0.519 0.000 0.268 124 H C 0.511 175.898 175.328 0.100 0.000 0.975 124 H CA 1.608 57.781 56.048 0.208 0.000 1.195 124 H CB 0.445 30.285 29.762 0.129 0.000 1.397 124 H HN -0.504 7.785 8.280 0.071 0.034 0.572 125 D N -1.810 118.277 120.400 -0.522 0.000 2.312 125 D HA -0.220 4.174 4.640 -0.411 0.000 0.211 125 D C 0.123 176.339 176.300 -0.141 0.000 0.964 125 D CA 1.794 55.572 54.000 -0.371 0.000 0.877 125 D CB -1.010 39.607 40.800 -0.305 0.000 0.924 125 D HN 0.460 8.436 8.370 -0.563 0.056 0.515 126 E N -1.781 118.295 120.200 -0.206 0.000 2.403 126 E HA 0.062 4.457 4.350 0.075 0.000 0.188 126 E C -1.561 174.714 176.600 -0.540 0.000 1.056 126 E CA -0.241 56.041 56.400 -0.197 0.000 0.892 126 E CB 0.057 29.740 29.700 -0.027 0.000 1.049 126 E HN -0.509 7.608 8.360 -0.310 0.058 0.465 127 Y N -1.119 119.121 120.300 -0.100 0.000 2.485 127 Y HA 0.647 5.388 4.550 -0.035 -0.212 0.345 127 Y C -0.468 175.460 175.900 0.047 0.000 0.998 127 Y CA -1.744 56.343 58.100 -0.021 0.000 1.059 127 Y CB 3.492 41.993 38.460 0.068 0.000 1.234 127 Y HN -0.671 7.412 8.280 -0.153 0.105 0.461 128 S N -0.417 115.457 115.700 0.290 0.000 2.704 128 S HA 0.905 5.815 4.470 0.734 0.000 0.305 128 S C -1.394 173.346 174.600 0.232 0.000 1.107 128 S CA -2.323 56.096 58.200 0.366 0.000 0.993 128 S CB 3.090 66.448 63.200 0.263 0.000 1.110 128 S HN 0.907 9.374 8.310 0.261 0.000 0.534 129 L N 0.287 121.531 121.223 0.035 0.000 2.334 129 L HA 0.599 4.908 4.340 -0.053 0.000 0.276 129 L C -1.808 174.969 176.870 -0.154 0.000 1.014 129 L CA -1.412 53.376 54.840 -0.087 0.000 0.815 129 L CB 3.730 45.680 42.059 -0.182 0.000 1.268 129 L HN -0.286 7.899 8.230 -0.075 0.000 0.428 130 V N 4.168 123.900 119.914 -0.303 0.000 2.524 130 V HA 0.513 4.554 4.120 -0.495 -0.218 0.297 130 V C -2.445 173.408 176.094 -0.400 0.000 1.035 130 V CA -2.356 59.608 62.300 -0.560 0.000 0.867 130 V CB 2.934 34.012 31.823 -1.241 0.000 1.004 130 V HN 0.415 8.453 8.190 -0.253 0.000 0.426 131 R N 8.500 128.814 120.500 -0.310 0.000 2.230 131 R HA 0.238 4.457 4.340 -0.202 0.000 0.337 131 R C -1.157 175.019 176.300 -0.206 0.000 1.063 131 R CA -1.356 54.614 56.100 -0.217 0.000 0.935 131 R CB 0.273 30.478 30.300 -0.157 0.000 1.121 131 R HN 0.875 8.838 8.270 -0.302 0.126 0.486 132 E N 5.742 125.825 120.200 -0.195 0.000 2.129 132 E HA -0.030 4.230 4.350 -0.148 0.000 0.283 132 E C -1.252 175.283 176.600 -0.107 0.000 1.080 132 E CA 0.565 56.876 56.400 -0.148 0.000 0.867 132 E CB 0.320 29.939 29.700 -0.135 0.000 1.056 132 E HN -0.332 7.906 8.360 -0.203 0.000 0.404 133 L N 1.894 123.064 121.223 -0.088 0.000 2.267 133 L HA 0.324 4.721 4.340 -0.085 -0.108 0.264 133 L C 0.243 177.090 176.870 -0.038 0.000 1.021 133 L CA -1.823 52.973 54.840 -0.074 0.000 0.861 133 L CB 2.051 44.060 42.059 -0.084 0.000 1.443 133 L HN -0.692 7.488 8.230 -0.083 0.000 0.475 134 M N -4.263 115.326 119.600 -0.018 0.000 2.549 134 M HA 0.190 4.673 4.480 0.005 0.000 0.273 134 M C -0.186 176.119 176.300 0.008 0.000 1.213 134 M CA -0.236 55.070 55.300 0.010 0.000 0.976 134 M CB -0.323 32.307 32.600 0.050 0.000 1.457 134 M HN 0.015 8.286 8.290 -0.032 0.000 0.485 135 E N 2.102 122.297 120.200 -0.007 0.000 2.606 135 E HA -0.269 4.081 4.350 -0.001 0.000 0.248 135 E C 0.452 177.055 176.600 0.004 0.000 1.005 135 E CA 1.325 57.723 56.400 -0.004 0.000 0.946 135 E CB -0.116 29.577 29.700 -0.011 0.000 0.928 135 E HN -0.130 8.113 8.360 -0.020 0.104 0.494 136 E N 3.684 123.890 120.200 0.009 0.000 2.216 136 E HA -0.174 4.182 4.350 0.010 0.000 0.192 136 E C 0.575 177.180 176.600 0.009 0.000 0.988 136 E CA 1.766 58.172 56.400 0.010 0.000 0.834 136 E CB 0.011 29.718 29.700 0.012 0.000 0.772 136 E HN 0.469 8.835 8.360 0.011 0.000 0.479 137 K N -0.343 120.062 120.400 0.009 0.000 2.054 137 K HA -0.019 4.307 4.320 0.010 0.000 0.207 137 K C 1.045 177.651 176.600 0.010 0.000 1.031 137 K CA 0.890 57.183 56.287 0.010 0.000 0.952 137 K CB 0.662 33.168 32.500 0.010 0.000 0.775 137 K HN -0.233 7.993 8.250 0.008 0.029 0.447 170 E N 0.109 120.310 120.200 0.002 0.000 2.413 170 E HA 0.318 4.690 4.350 0.037 0.000 0.277 170 E C -0.682 175.900 176.600 -0.030 0.000 0.958 170 E CA -1.085 55.323 56.400 0.013 0.000 0.779 170 E CB 3.642 33.358 29.700 0.027 0.000 1.278 170 E HN -0.182 8.171 8.360 -0.012 0.000 0.456 171 L N 1.042 122.245 121.223 -0.033 0.000 2.395 171 L HA -0.074 4.147 4.340 -0.198 0.000 0.218 171 L C -0.445 176.248 176.870 -0.296 0.000 1.130 171 L CA 0.504 55.221 54.840 -0.204 0.000 0.826 171 L CB 0.387 42.277 42.059 -0.281 0.000 0.941 171 L HN 0.404 8.665 8.230 0.053 0.000 0.451 172 N N -3.433 115.204 118.700 -0.106 0.000 2.573 172 N HA -0.365 4.398 4.740 0.039 0.000 0.280 172 N C -0.775 174.669 175.510 -0.109 0.000 1.187 172 N CA 1.161 54.175 53.050 -0.059 0.000 0.717 172 N CB -1.580 36.857 38.487 -0.084 0.000 0.899 172 N HN -0.565 8.044 8.380 0.006 -0.225 0.546 173 W N -0.999 120.275 121.300 -0.043 0.000 2.481 173 W HA 0.235 5.024 4.660 -0.062 -0.166 0.320 173 W C 0.663 177.135 176.519 -0.078 0.000 1.209 173 W CA -0.505 56.806 57.345 -0.055 0.000 1.400 173 W CB -0.356 29.081 29.460 -0.039 0.000 1.361 173 W HN 0.119 8.523 8.180 0.375 0.000 0.456 174 L N 4.400 125.637 121.223 0.023 0.000 2.477 174 L HA -0.171 4.147 4.340 -0.037 0.000 0.272 174 L C 1.107 177.911 176.870 -0.110 0.000 1.157 174 L CA 0.385 55.173 54.840 -0.086 0.000 0.889 174 L CB -0.033 41.896 42.059 -0.215 0.000 1.158 174 L HN 0.436 8.513 8.230 -0.046 0.125 0.473 175 D N 1.994 122.379 120.400 -0.024 0.000 2.348 175 D HA -0.236 4.457 4.640 0.089 0.000 0.216 175 D C -0.307 176.068 176.300 0.124 0.000 0.970 175 D CA 1.450 55.483 54.000 0.054 0.000 0.889 175 D CB -0.209 40.629 40.800 0.063 0.000 0.912 175 D HN 0.391 8.757 8.370 -0.008 0.000 0.524 176 H N -5.320 113.782 119.070 0.053 0.000 3.049 176 H HA -0.234 4.352 4.556 0.049 0.000 0.250 176 H C -0.744 174.613 175.328 0.048 0.000 1.219 176 H CA 0.909 56.988 56.048 0.051 0.000 1.117 176 H CB -2.239 27.557 29.762 0.057 0.000 1.251 176 H HN 0.008 8.123 8.280 -0.165 0.066 0.338 177 G N -2.292 106.575 108.800 0.111 0.000 2.597 177 G HA2 0.165 4.183 3.960 0.097 0.000 0.196 177 G HA3 0.165 4.175 3.960 0.084 0.000 0.196 177 G C -1.450 173.488 174.900 0.063 0.000 1.176 177 G CA 0.252 45.405 45.100 0.089 0.000 0.747 177 G HN 0.367 9.042 8.290 0.070 -0.343 0.821 178 R N 1.839 122.367 120.500 0.047 0.000 2.404 178 R HA 0.203 4.572 4.340 0.048 0.000 0.291 178 R C -0.542 175.780 176.300 0.038 0.000 1.025 178 R CA -0.315 55.810 56.100 0.042 0.000 0.991 178 R CB 1.461 31.782 30.300 0.035 0.000 1.053 178 R HN -0.104 8.551 8.270 0.041 -0.360 0.479 179 T N 2.389 116.973 114.554 0.050 0.000 2.828 179 T HA 0.009 4.388 4.350 0.048 0.000 0.290 179 T C 0.893 175.625 174.700 0.052 0.000 1.019 179 T CA -1.276 60.859 62.100 0.058 0.000 1.031 179 T CB 1.104 70.024 68.868 0.087 0.000 1.001 179 T HN 0.137 8.411 8.240 0.055 0.000 0.531 180 L N 1.403 122.660 121.223 0.057 0.000 2.044 180 L HA -0.066 4.284 4.340 0.016 0.000 0.205 180 L C 2.410 179.314 176.870 0.057 0.000 1.075 180 L CA 2.914 57.779 54.840 0.042 0.000 0.747 180 L CB -1.052 41.029 42.059 0.038 0.000 0.903 180 L HN 0.635 8.906 8.230 0.068 0.000 0.435 181 R N -1.153 119.408 120.500 0.101 0.000 2.127 181 R HA -0.349 4.041 4.340 0.084 0.000 0.238 181 R C 2.698 179.041 176.300 0.072 0.000 1.134 181 R CA 3.325 59.486 56.100 0.102 0.000 0.975 181 R CB -0.526 29.869 30.300 0.158 0.000 0.865 181 R HN 0.056 8.408 8.270 0.136 0.000 0.447 182 E N -2.478 117.763 120.200 0.068 0.000 2.418 182 E HA -0.189 4.192 4.350 0.052 0.000 0.197 182 E C 0.648 177.270 176.600 0.037 0.000 1.026 182 E CA 1.892 58.324 56.400 0.053 0.000 0.862 182 E CB -0.921 28.813 29.700 0.055 0.000 0.799 182 E HN 0.531 8.910 8.360 0.078 0.028 0.518 183 Q N -3.551 116.267 119.800 0.030 0.000 2.354 183 Q HA -0.028 4.323 4.340 0.018 0.000 0.203 183 Q C 0.794 176.800 176.000 0.011 0.000 0.933 183 Q CA 0.254 56.067 55.803 0.016 0.000 0.901 183 Q CB 0.832 29.573 28.738 0.004 0.000 1.007 183 Q HN -0.229 7.882 8.270 0.035 0.181 0.495 184 G N -1.978 106.831 108.800 0.016 0.000 2.132 184 G HA2 -0.358 3.613 3.960 0.019 0.000 0.228 184 G HA3 -0.358 3.607 3.960 0.008 0.000 0.228 184 G C -0.120 174.775 174.900 -0.009 0.000 1.000 184 G CA -0.233 44.873 45.100 0.010 0.000 0.693 184 G HN -0.348 7.776 8.290 0.027 0.182 0.515 185 V N -1.502 118.401 119.914 -0.017 0.000 3.287 185 V HA -0.071 4.006 4.120 -0.071 0.000 0.306 185 V C -0.569 175.485 176.094 -0.065 0.000 1.103 185 V CA 0.220 62.489 62.300 -0.052 0.000 1.159 185 V CB 0.873 32.666 31.823 -0.051 0.000 1.036 185 V HN -0.923 7.231 8.190 -0.003 0.034 0.487 186 E N 3.277 123.394 120.200 -0.138 0.000 2.672 186 E HA 0.276 4.579 4.350 -0.078 0.000 0.235 186 E C 0.275 176.776 176.600 -0.164 0.000 0.906 186 E CA -1.383 54.914 56.400 -0.172 0.000 0.973 186 E CB 0.874 30.346 29.700 -0.381 0.000 1.478 186 E HN -0.001 8.253 8.360 -0.177 0.000 0.430 187 E N -2.480 117.644 120.200 -0.127 0.000 2.734 187 E HA 0.153 4.458 4.350 -0.074 0.000 0.211 187 E C -0.728 175.869 176.600 -0.005 0.000 0.991 187 E CA 0.044 56.411 56.400 -0.053 0.000 1.065 187 E CB 0.585 30.285 29.700 -0.001 0.000 1.047 187 E HN 0.432 8.754 8.360 -0.063 0.000 0.470 188 H N -4.630 114.420 119.070 -0.033 0.000 3.622 188 H HA 0.424 4.961 4.556 -0.033 0.000 0.259 188 H C -0.283 175.023 175.328 -0.036 0.000 1.145 188 H CA 0.059 56.088 56.048 -0.032 0.000 1.178 188 H CB 1.691 31.436 29.762 -0.028 0.000 1.542 188 H HN 0.358 8.743 8.280 -0.496 -0.403 0.586 189 E N 1.304 121.392 120.200 -0.187 0.000 2.349 189 E HA 0.249 4.598 4.350 -0.001 0.000 0.262 189 E C -0.479 176.072 176.600 -0.080 0.000 1.088 189 E CA -1.004 55.336 56.400 -0.101 0.000 0.899 189 E CB 1.377 30.977 29.700 -0.166 0.000 1.044 189 E HN 0.209 8.852 8.360 -0.397 -0.521 0.420 190 T N 2.870 117.385 114.554 -0.065 0.000 2.817 190 T HA 0.066 4.500 4.350 -0.066 -0.123 0.293 190 T C -1.105 173.533 174.700 -0.104 0.000 0.964 190 T CA 0.868 62.925 62.100 -0.072 0.000 1.085 190 T CB 0.614 69.447 68.868 -0.057 0.000 0.921 190 T HN 0.161 8.370 8.240 -0.052 0.000 0.502 191 L N 4.435 125.593 121.223 -0.109 0.000 2.334 191 L HA 0.532 4.887 4.340 -0.165 -0.113 0.276 191 L C -1.360 175.427 176.870 -0.139 0.000 1.014 191 L CA -1.918 52.839 54.840 -0.138 0.000 0.815 191 L CB 1.135 43.117 42.059 -0.129 0.000 1.268 191 L HN 1.134 9.193 8.230 -0.094 0.115 0.428 192 L N -0.388 120.728 121.223 -0.178 0.000 2.322 192 L HA 0.442 4.814 4.340 -0.128 -0.109 0.281 192 L C -1.325 175.454 176.870 -0.152 0.000 1.014 192 L CA -1.428 53.315 54.840 -0.161 0.000 0.815 192 L CB 1.674 43.621 42.059 -0.186 0.000 1.247 192 L HN 0.970 8.957 8.230 -0.226 0.108 0.421 193 L N 3.881 125.031 121.223 -0.122 0.000 2.313 193 L HA 0.172 4.463 4.340 -0.082 0.000 0.282 193 L C -1.689 175.144 176.870 -0.062 0.000 1.092 193 L CA -0.024 54.747 54.840 -0.115 0.000 0.831 193 L CB 1.201 43.142 42.059 -0.197 0.000 1.159 193 L HN 0.347 8.505 8.230 -0.119 0.000 0.442 194 R N 4.640 125.168 120.500 0.047 0.000 2.562 194 R HA 0.365 4.771 4.340 0.111 0.000 0.298 194 R C -1.328 175.159 176.300 0.311 0.000 0.961 194 R CA -3.316 52.878 56.100 0.156 0.000 0.881 194 R CB 2.456 32.905 30.300 0.248 0.000 1.159 194 R HN 0.176 8.490 8.270 0.073 0.000 0.450 195 R N 6.122 126.803 120.500 0.301 0.000 2.351 195 R HA -0.109 4.575 4.340 0.574 0.000 0.318 195 R C -0.506 175.757 176.300 -0.063 0.000 1.055 195 R CA 0.999 57.255 56.100 0.260 0.000 0.968 195 R CB -0.251 30.119 30.300 0.117 0.000 0.974 195 R HN 0.632 9.027 8.270 0.209 0.000 0.439 196 K N 6.617 126.901 120.400 -0.194 0.000 2.161 196 K HA -0.039 4.099 4.320 -0.302 0.000 0.205 196 K C -0.291 175.992 176.600 -0.529 0.000 1.035 196 K CA 1.078 57.124 56.287 -0.401 0.000 0.970 196 K CB 1.237 33.406 32.500 -0.552 0.000 0.866 196 K HN 0.664 8.692 8.250 -0.177 0.115 0.461 197 F N -1.725 118.064 119.950 -0.267 0.000 2.375 197 F HA 0.069 4.463 4.527 -0.222 0.000 0.333 197 F C 0.938 176.520 175.800 -0.363 0.000 1.104 197 F CA -1.169 56.690 58.000 -0.235 0.000 1.149 197 F CB 0.824 39.780 39.000 -0.073 0.000 1.190 197 F HN -0.621 7.297 8.300 -0.437 0.120 0.533 198 F N 4.108 124.112 119.950 0.089 0.000 2.733 198 F HA 0.089 4.467 4.527 -0.249 0.000 0.344 198 F C 0.728 176.475 175.800 -0.089 0.000 1.179 198 F CA -1.013 56.928 58.000 -0.099 0.000 1.316 198 F CB -2.504 36.466 39.000 -0.051 0.000 1.577 198 F HN 0.354 8.866 8.300 0.353 0.000 0.591 199 Y N 0.248 120.618 120.300 0.115 0.000 2.256 199 Y HA -0.330 4.252 4.550 0.054 0.000 0.288 199 Y C 0.548 176.496 175.900 0.080 0.000 1.155 199 Y CA 1.713 59.850 58.100 0.062 0.000 1.203 199 Y CB -0.974 37.486 38.460 0.000 0.000 0.980 199 Y HN -0.416 7.734 8.280 -0.079 0.082 0.530 200 S N -1.943 113.640 115.700 -0.195 0.000 3.587 200 S HA -0.440 3.954 4.470 -0.127 0.000 0.337 200 S C -0.877 173.795 174.600 0.119 0.000 1.119 200 S CA 0.694 58.874 58.200 -0.034 0.000 0.976 200 S CB -1.418 61.809 63.200 0.045 0.000 0.922 200 S HN 0.308 8.110 8.310 -0.840 0.005 0.503 201 D N -5.135 115.458 120.400 0.322 0.000 3.059 201 D HA -0.366 4.477 4.640 0.338 0.000 0.220 201 D C -0.426 175.974 176.300 0.166 0.000 1.169 201 D CA 1.594 55.755 54.000 0.269 0.000 0.902 201 D CB -0.170 40.733 40.800 0.172 0.000 1.116 201 D HN -0.211 8.508 8.370 0.629 0.029 0.417 202 Q N 0.000 119.899 119.800 0.165 0.000 2.315 202 Q HA 0.000 4.386 4.340 0.077 0.000 0.214 202 Q CA 0.000 55.863 55.803 0.100 0.000 1.022 202 Q CB 0.000 28.791 28.738 0.088 0.000 1.108 202 Q HN 0.000 8.227 8.270 0.222 0.176 0.481