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 2jrc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAEPLLVVGL GNPGANYART RHNLGFVVAD LLAARLGAKF KAHKRSGAEV DATA SEQUENCE ATGRSAGRSL VLAKPRCYMN ESGRQIGPLA KFYSVAPANI IVIHDDLDLE DATA SEQUENCE FGRIRLKIGG GEGGHNGLRS VVAALGTKDF QRVRIGIGRP PGRKDPAAFV DATA SEQUENCE LENFTPAERA EVPTICEQAA DATELLIEQG MEPAQNRVHA W VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.481 4.480 0.001 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 A N 2.347 125.170 122.820 0.005 0.000 2.547 2 A HA 0.343 4.668 4.320 0.008 0.000 0.300 2 A C -1.723 175.868 177.584 0.012 0.000 1.061 2 A CA 0.842 52.884 52.037 0.008 0.000 0.808 2 A CB 1.439 20.444 19.000 0.008 0.000 1.304 2 A HN 0.061 8.214 8.150 0.005 0.000 0.393 3 E N 2.161 122.370 120.200 0.015 0.000 2.478 3 E HA 0.163 4.529 4.350 0.027 0.000 0.293 3 E C -2.627 173.989 176.600 0.025 0.000 1.011 3 E CA -1.194 55.220 56.400 0.023 0.000 0.834 3 E CB 3.241 32.953 29.700 0.020 0.000 1.226 3 E HN -0.027 8.342 8.360 0.014 0.000 0.419 4 P HA 0.088 4.525 4.420 0.028 0.000 0.286 4 P C -1.487 175.833 177.300 0.034 0.000 1.293 4 P CA -0.469 62.652 63.100 0.036 0.000 0.770 4 P CB 1.088 32.818 31.700 0.050 0.000 1.206 5 L N -4.474 116.766 121.223 0.028 0.000 2.422 5 L HA 0.287 4.699 4.340 0.034 -0.051 0.264 5 L C -1.655 175.224 176.870 0.016 0.000 0.984 5 L CA -0.842 54.014 54.840 0.026 0.000 0.819 5 L CB 3.196 45.267 42.059 0.021 0.000 1.330 5 L HN -0.404 7.841 8.230 0.025 0.000 0.410 6 L N 1.637 122.870 121.223 0.017 0.000 2.334 6 L HA 0.353 4.850 4.340 -0.032 -0.176 0.276 6 L C -1.913 174.959 176.870 0.003 0.000 1.014 6 L CA -0.987 53.845 54.840 -0.013 0.000 0.815 6 L CB 3.730 45.763 42.059 -0.043 0.000 1.268 6 L HN 0.949 9.030 8.230 0.035 0.170 0.428 7 V N 2.810 122.721 119.914 -0.005 0.000 2.735 7 V HA 0.568 4.848 4.120 0.017 -0.150 0.310 7 V C -1.469 174.628 176.094 0.005 0.000 1.061 7 V CA -1.780 60.528 62.300 0.013 0.000 0.913 7 V CB 3.373 35.214 31.823 0.030 0.000 1.005 7 V HN 1.270 9.297 8.190 -0.018 0.152 0.428 8 V N -0.233 119.682 119.914 0.002 0.000 2.569 8 V HA 0.871 5.256 4.120 0.011 -0.258 0.301 8 V C -1.018 175.069 176.094 -0.011 0.000 1.044 8 V CA -2.633 59.664 62.300 -0.006 0.000 0.874 8 V CB 2.547 34.349 31.823 -0.034 0.000 1.002 8 V HN 1.134 9.230 8.190 0.005 0.097 0.424 9 G N 5.156 113.952 108.800 -0.006 0.000 2.404 9 G HA2 0.407 4.340 3.960 -0.046 0.000 0.316 9 G HA3 0.407 4.458 3.960 -0.047 -0.119 0.316 9 G C -1.839 172.966 174.900 -0.159 0.000 1.074 9 G CA -1.019 44.048 45.100 -0.055 0.000 0.989 9 G HN 0.394 8.700 8.290 0.027 0.000 0.430 10 L N 5.163 126.274 121.223 -0.187 0.000 2.257 10 L HA 0.379 4.557 4.340 -0.271 0.000 0.290 10 L C -1.939 174.710 176.870 -0.368 0.000 1.044 10 L CA -1.243 53.413 54.840 -0.306 0.000 0.810 10 L CB 1.001 42.842 42.059 -0.364 0.000 1.193 10 L HN -0.108 8.050 8.230 -0.119 0.000 0.425 11 G N 3.884 112.253 108.800 -0.719 0.000 3.137 11 G HA2 0.238 4.191 3.960 -0.081 0.000 0.196 11 G HA3 0.238 4.026 3.960 -0.584 -0.178 0.196 11 G C -2.714 172.083 174.900 -0.173 0.000 1.135 11 G CA -0.401 44.418 45.100 -0.468 0.000 0.803 11 G HN -0.188 7.349 8.290 -1.255 0.000 0.619 12 N N 0.484 119.180 118.700 -0.006 0.000 2.371 12 N HA 0.539 5.358 4.740 0.132 0.000 0.291 12 N C -2.165 173.445 175.510 0.166 0.000 1.053 12 N CA -3.322 49.780 53.050 0.086 0.000 0.870 12 N CB 2.609 41.002 38.487 -0.156 0.000 1.503 12 N HN 0.196 8.885 8.380 -0.057 -0.343 0.485 13 P HA 0.100 4.442 4.420 -0.130 0.000 0.297 13 P C -0.520 176.743 177.300 -0.062 0.000 1.303 13 P CA -0.421 62.599 63.100 -0.134 0.000 0.753 13 P CB 1.196 32.690 31.700 -0.343 0.000 1.281 14 G N -1.426 107.330 108.800 -0.074 0.000 2.672 14 G HA2 -0.352 3.594 3.960 -0.025 0.000 0.332 14 G HA3 -0.352 3.597 3.960 -0.019 0.000 0.332 14 G C -1.605 173.310 174.900 0.024 0.000 1.213 14 G CA 0.921 46.008 45.100 -0.022 0.000 0.980 14 G HN 0.201 8.420 8.290 -0.119 0.000 0.548 15 A N 0.045 122.894 122.820 0.048 0.000 6.075 15 A HA 0.080 4.455 4.320 0.092 0.000 0.142 15 A C -1.639 176.006 177.584 0.102 0.000 0.950 15 A CA -0.108 51.974 52.037 0.076 0.000 1.278 15 A CB 0.029 19.064 19.000 0.059 0.000 2.412 15 A HN -0.288 7.891 8.150 0.047 0.000 1.145 16 N N -2.262 116.485 118.700 0.078 0.000 3.600 16 N HA -0.385 4.373 4.740 0.030 0.000 0.201 16 N C 1.339 176.906 175.510 0.095 0.000 0.245 16 N CA 2.791 55.877 53.050 0.060 0.000 2.387 16 N CB -1.280 37.241 38.487 0.055 0.000 1.323 16 N HN 0.189 8.605 8.380 0.061 0.000 0.383 17 Y N 1.752 122.098 120.300 0.077 0.000 2.516 17 Y HA -0.173 4.453 4.550 0.126 0.000 0.291 17 Y C 1.401 177.406 175.900 0.176 0.000 1.131 17 Y CA 1.390 59.571 58.100 0.134 0.000 1.281 17 Y CB 0.034 38.585 38.460 0.151 0.000 1.013 17 Y HN 0.140 8.580 8.280 0.285 0.011 0.554 18 A N -1.088 121.908 122.820 0.293 0.000 2.014 18 A HA -0.210 4.283 4.320 0.287 0.000 0.218 18 A C 1.231 178.934 177.584 0.199 0.000 1.163 18 A CA 2.200 54.377 52.037 0.233 0.000 0.652 18 A CB -0.602 18.489 19.000 0.151 0.000 0.808 18 A HN -0.180 7.907 8.150 0.226 0.199 0.449 19 R N -3.083 117.512 120.500 0.158 0.000 2.127 19 R HA -0.240 4.158 4.340 0.097 0.000 0.238 19 R C 1.088 177.451 176.300 0.106 0.000 1.134 19 R CA 2.245 58.409 56.100 0.108 0.000 0.975 19 R CB -0.291 30.051 30.300 0.070 0.000 0.865 19 R HN -0.544 7.681 8.270 0.153 0.136 0.447 20 T N -5.169 109.474 114.554 0.149 0.000 3.609 20 T HA -0.045 4.333 4.350 0.046 0.000 0.245 20 T C -0.694 174.072 174.700 0.109 0.000 0.980 20 T CA 0.254 62.422 62.100 0.113 0.000 0.940 20 T CB -0.597 68.369 68.868 0.163 0.000 1.105 20 T HN -0.590 7.654 8.240 0.211 0.123 0.627 21 R N -3.587 116.982 120.500 0.115 0.000 4.000 21 R HA -0.467 3.940 4.340 0.111 0.000 0.348 21 R C -0.531 175.874 176.300 0.174 0.000 1.204 21 R CA 1.113 57.282 56.100 0.116 0.000 0.987 21 R CB -3.199 27.149 30.300 0.080 0.000 1.446 21 R HN -0.038 8.167 8.270 0.110 0.132 0.555 22 H N -2.568 116.568 119.070 0.110 0.000 2.568 22 H HA -0.169 4.448 4.556 0.101 0.000 0.275 22 H C -0.362 175.019 175.328 0.088 0.000 1.028 22 H CA 1.034 57.148 56.048 0.110 0.000 1.173 22 H CB -0.300 29.541 29.762 0.131 0.000 1.335 22 H HN -0.342 8.061 8.280 0.306 0.061 0.614 23 N N -2.075 116.744 118.700 0.199 0.000 2.571 23 N HA 0.098 4.821 4.740 0.007 0.021 0.298 23 N C -0.404 175.159 175.510 0.088 0.000 1.671 23 N CA -1.334 51.777 53.050 0.102 0.000 0.900 23 N CB 0.014 38.592 38.487 0.152 0.000 1.365 23 N HN -0.334 8.018 8.380 0.190 0.142 0.493 24 L N 1.860 123.144 121.223 0.101 0.000 2.017 24 L HA -0.249 4.133 4.340 0.070 0.000 0.208 24 L C 1.287 178.177 176.870 0.033 0.000 1.073 24 L CA 2.858 57.745 54.840 0.079 0.000 0.745 24 L CB -0.633 41.484 42.059 0.097 0.000 0.894 24 L HN -0.308 8.012 8.230 0.151 0.000 0.432 25 G N -2.152 106.654 108.800 0.010 0.000 2.476 25 G HA2 -0.368 3.581 3.960 -0.018 0.000 0.218 25 G HA3 -0.368 3.560 3.960 -0.122 -0.041 0.218 25 G C 1.233 176.085 174.900 -0.079 0.000 1.164 25 G CA 2.366 47.431 45.100 -0.058 0.000 0.768 25 G HN -0.216 8.103 8.290 0.048 0.000 0.560 26 F N 1.953 121.708 119.950 -0.325 0.000 2.367 26 F HA -0.008 4.360 4.527 -0.264 0.000 0.298 26 F C 1.381 177.091 175.800 -0.149 0.000 1.094 26 F CA 1.697 59.531 58.000 -0.277 0.000 1.409 26 F CB 0.479 39.278 39.000 -0.334 0.000 1.064 26 F HN -0.602 7.635 8.300 -0.105 0.000 0.528 27 V N 1.053 120.946 119.914 -0.035 0.000 2.379 27 V HA -0.418 3.642 4.120 -0.100 0.000 0.245 27 V C 1.627 177.662 176.094 -0.099 0.000 1.044 27 V CA 4.041 66.305 62.300 -0.060 0.000 1.036 27 V CB -0.300 31.537 31.823 0.024 0.000 0.664 27 V HN 0.516 8.481 8.190 0.027 0.242 0.453 28 V N 0.843 120.716 119.914 -0.069 0.000 2.488 28 V HA -0.305 3.790 4.120 -0.040 0.000 0.246 28 V C 1.158 177.191 176.094 -0.101 0.000 1.046 28 V CA 2.819 65.086 62.300 -0.055 0.000 1.053 28 V CB -0.716 31.100 31.823 -0.012 0.000 0.679 28 V HN 0.841 8.885 8.190 -0.043 0.120 0.458 29 A N -0.061 122.664 122.820 -0.157 0.000 1.877 29 A HA -0.318 3.937 4.320 -0.109 0.000 0.216 29 A C 2.108 179.484 177.584 -0.348 0.000 1.186 29 A CA 3.694 55.602 52.037 -0.216 0.000 0.620 29 A CB -0.720 18.134 19.000 -0.242 0.000 0.822 29 A HN 0.086 8.036 8.150 -0.152 0.108 0.443 30 D N -0.812 119.304 120.400 -0.474 0.000 2.097 30 D HA -0.222 4.056 4.640 -0.603 0.000 0.195 30 D C 1.988 178.145 176.300 -0.237 0.000 0.989 30 D CA 3.354 57.066 54.000 -0.480 0.000 0.827 30 D CB 0.008 40.485 40.800 -0.538 0.000 0.966 30 D HN -0.267 7.684 8.370 -0.499 0.119 0.456 31 L N 0.582 121.706 121.223 -0.165 0.000 1.955 31 L HA -0.283 4.013 4.340 -0.074 0.000 0.213 31 L C 1.607 178.447 176.870 -0.049 0.000 1.072 31 L CA 3.673 58.464 54.840 -0.083 0.000 0.755 31 L CB -0.044 41.983 42.059 -0.054 0.000 0.888 31 L HN -0.305 7.712 8.230 -0.177 0.107 0.432 32 L N -3.220 117.980 121.223 -0.040 0.000 2.261 32 L HA -0.416 3.927 4.340 0.005 0.000 0.216 32 L C 2.067 178.969 176.870 0.053 0.000 1.114 32 L CA 2.762 57.605 54.840 0.006 0.000 0.777 32 L CB -0.858 41.210 42.059 0.015 0.000 0.910 32 L HN 0.314 8.403 8.230 -0.057 0.107 0.440 33 A N 0.037 122.878 122.820 0.035 0.000 1.855 33 A HA -0.241 4.313 4.320 0.390 0.000 0.213 33 A C 1.634 179.286 177.584 0.115 0.000 1.195 33 A CA 3.032 55.178 52.037 0.182 0.000 0.610 33 A CB -1.091 17.860 19.000 -0.082 0.000 0.837 33 A HN 0.208 8.073 8.150 -0.068 0.244 0.444 34 A N -2.018 120.808 122.820 0.011 0.000 2.024 34 A HA -0.335 4.000 4.320 0.025 0.000 0.220 34 A C 2.043 179.640 177.584 0.020 0.000 1.164 34 A CA 2.686 54.728 52.037 0.009 0.000 0.643 34 A CB -0.535 18.448 19.000 -0.027 0.000 0.806 34 A HN 0.810 8.798 8.150 -0.052 0.131 0.451 35 R N -2.394 118.118 120.500 0.020 0.000 2.055 35 R HA -0.179 4.167 4.340 0.010 0.000 0.226 35 R C 2.472 178.786 176.300 0.025 0.000 1.135 35 R CA 2.203 58.312 56.100 0.016 0.000 0.959 35 R CB 0.021 30.326 30.300 0.009 0.000 0.854 35 R HN -0.382 7.780 8.270 0.017 0.118 0.431 36 L N -2.431 118.818 121.223 0.042 0.000 2.083 36 L HA -0.273 4.077 4.340 0.017 0.000 0.209 36 L C 1.292 178.180 176.870 0.029 0.000 1.083 36 L CA 2.144 57.004 54.840 0.034 0.000 0.752 36 L CB 0.535 42.620 42.059 0.043 0.000 0.899 36 L HN -0.184 7.967 8.230 0.058 0.114 0.433 37 G N -3.346 105.488 108.800 0.056 0.000 2.195 37 G HA2 -0.406 3.589 3.960 0.057 0.000 0.246 37 G HA3 -0.406 3.570 3.960 0.026 0.000 0.246 37 G C -0.567 174.358 174.900 0.043 0.000 0.984 37 G CA -0.066 45.063 45.100 0.048 0.000 0.633 37 G HN 0.185 8.399 8.290 0.088 0.128 0.525 38 A N -0.038 122.788 122.820 0.009 0.000 2.609 38 A HA -0.181 4.069 4.320 -0.116 0.000 0.232 38 A C 0.034 177.583 177.584 -0.057 0.000 1.041 38 A CA 0.916 52.878 52.037 -0.126 0.000 0.753 38 A CB 0.206 18.984 19.000 -0.370 0.000 0.966 38 A HN -0.299 7.782 8.150 0.020 0.081 0.510 39 K N 3.249 123.591 120.400 -0.096 0.000 2.231 39 K HA 0.071 4.461 4.320 0.116 0.000 0.255 39 K C -0.607 175.989 176.600 -0.006 0.000 1.108 39 K CA -0.762 55.533 56.287 0.014 0.000 0.997 39 K CB -1.536 30.971 32.500 0.011 0.000 1.549 39 K HN 0.229 8.398 8.250 -0.134 0.000 0.419 40 F N 2.926 122.884 119.950 0.013 0.000 2.444 40 F HA -0.220 4.323 4.527 0.025 0.000 0.297 40 F C 0.586 176.408 175.800 0.036 0.000 1.295 40 F CA 1.637 59.652 58.000 0.026 0.000 1.286 40 F CB 0.623 39.640 39.000 0.028 0.000 1.298 40 F HN -0.350 8.299 8.300 0.581 0.000 0.531 41 K N -2.129 118.429 120.400 0.265 0.000 2.395 41 K HA 0.179 4.587 4.320 0.148 0.000 0.272 41 K C -2.303 174.395 176.600 0.165 0.000 0.984 41 K CA -0.727 55.659 56.287 0.165 0.000 0.816 41 K CB 3.652 36.217 32.500 0.109 0.000 1.504 41 K HN 0.337 8.763 8.250 0.333 0.023 0.375 42 A N -0.246 122.651 122.820 0.129 0.000 2.466 42 A HA 0.738 5.273 4.320 0.126 -0.140 0.284 42 A C -2.068 175.621 177.584 0.174 0.000 1.049 42 A CA -0.058 52.053 52.037 0.123 0.000 0.760 42 A CB 1.354 20.405 19.000 0.085 0.000 1.274 42 A HN 0.285 8.500 8.150 0.107 0.000 0.412 43 H N 3.735 122.814 119.070 0.015 0.000 4.326 43 H HA 0.056 4.609 4.556 -0.005 0.000 0.362 43 H C -1.924 173.391 175.328 -0.021 0.000 1.322 43 H CA 0.316 56.364 56.048 -0.000 0.000 0.973 43 H CB 1.487 31.256 29.762 0.011 0.000 1.358 43 H HN 0.860 9.222 8.280 0.138 0.000 0.781 44 K N -1.971 118.195 120.400 -0.390 0.000 6.951 44 K HA -0.194 3.876 4.320 -0.416 0.000 0.575 44 K C -0.059 176.293 176.600 -0.414 0.000 2.580 44 K CA 1.210 57.264 56.287 -0.389 0.000 2.030 44 K CB 0.303 32.680 32.500 -0.204 0.000 2.303 44 K HN 0.245 8.115 8.250 -0.633 0.000 0.183 45 R N 0.943 121.210 120.500 -0.387 0.000 2.185 45 R HA -0.328 3.894 4.340 -0.196 0.000 0.247 45 R C 0.760 176.965 176.300 -0.159 0.000 1.159 45 R CA 2.700 58.664 56.100 -0.226 0.000 0.988 45 R CB -0.211 30.015 30.300 -0.124 0.000 0.871 45 R HN 0.392 8.384 8.270 -0.464 0.000 0.458 46 S N -3.771 111.819 115.700 -0.185 0.000 2.362 46 S HA -0.054 4.365 4.470 -0.085 0.000 0.221 46 S C 0.237 174.786 174.600 -0.085 0.000 1.032 46 S CA 0.701 58.832 58.200 -0.114 0.000 0.973 46 S CB 0.739 63.870 63.200 -0.115 0.000 0.849 46 S HN -0.408 7.715 8.310 -0.252 0.036 0.465 47 G N -0.467 108.282 108.800 -0.085 0.000 2.526 47 G HA2 -0.250 3.755 3.960 0.018 0.000 0.225 47 G HA3 -0.250 3.699 3.960 -0.018 0.000 0.225 47 G C -1.762 173.121 174.900 -0.027 0.000 1.120 47 G CA 0.215 45.299 45.100 -0.026 0.000 0.904 47 G HN -0.191 7.956 8.290 -0.118 0.072 0.498 48 A N -2.781 120.026 122.820 -0.021 0.000 2.504 48 A HA 0.306 4.601 4.320 -0.042 0.000 0.285 48 A C -2.614 174.994 177.584 0.040 0.000 1.261 48 A CA -1.522 50.504 52.037 -0.019 0.000 0.741 48 A CB 2.899 21.874 19.000 -0.040 0.000 1.327 48 A HN -0.224 7.912 8.150 -0.023 0.000 0.441 49 E N -0.735 119.507 120.200 0.070 0.000 2.343 49 E HA 0.663 5.294 4.350 0.142 -0.195 0.269 49 E C -0.901 175.800 176.600 0.169 0.000 1.047 49 E CA -0.757 55.730 56.400 0.145 0.000 0.874 49 E CB 2.163 31.983 29.700 0.200 0.000 1.033 49 E HN -0.134 8.257 8.360 0.051 0.000 0.409 50 V N 2.169 122.223 119.914 0.234 0.000 3.307 50 V HA 0.917 5.369 4.120 0.292 -0.157 0.283 50 V C -3.016 173.238 176.094 0.266 0.000 1.618 50 V CA -1.632 60.812 62.300 0.238 0.000 1.052 50 V CB 3.673 35.551 31.823 0.092 0.000 1.200 50 V HN 0.290 8.638 8.190 0.263 0.000 0.468 51 A N 0.450 123.342 122.820 0.119 0.000 2.594 51 A HA 0.439 4.692 4.320 -0.111 0.000 0.296 51 A C -2.582 174.883 177.584 -0.198 0.000 1.056 51 A CA 0.386 52.308 52.037 -0.191 0.000 0.693 51 A CB 2.861 21.305 19.000 -0.926 0.000 1.278 51 A HN 0.573 8.794 8.150 0.119 0.000 0.408 52 T N -0.271 114.177 114.554 -0.177 0.000 2.922 52 T HA 0.827 5.332 4.350 -0.076 -0.201 0.285 52 T C 0.082 174.690 174.700 -0.153 0.000 1.005 52 T CA -1.511 60.522 62.100 -0.112 0.000 1.061 52 T CB 1.067 69.906 68.868 -0.048 0.000 1.007 52 T HN 0.068 8.207 8.240 -0.169 0.000 0.502 53 G N -0.044 108.701 108.800 -0.092 0.000 2.740 53 G HA2 0.136 4.036 3.960 -0.101 0.000 0.296 53 G HA3 0.136 4.049 3.960 -0.078 0.000 0.296 53 G C -2.508 172.368 174.900 -0.040 0.000 1.439 53 G CA -0.174 44.878 45.100 -0.080 0.000 1.066 53 G HN 0.151 8.323 8.290 -0.057 0.084 0.527 54 R N 2.741 123.220 120.500 -0.035 0.000 2.393 54 R HA 0.313 4.762 4.340 -0.013 -0.117 0.310 54 R C -0.724 175.567 176.300 -0.015 0.000 0.968 54 R CA -1.005 55.083 56.100 -0.019 0.000 0.867 54 R CB 1.635 31.925 30.300 -0.017 0.000 1.124 54 R HN 0.294 8.538 8.270 -0.043 0.000 0.450 55 S N 2.776 118.471 115.700 -0.009 0.000 2.653 55 S HA -0.003 4.462 4.470 -0.007 0.000 0.264 55 S C -1.709 172.889 174.600 -0.004 0.000 1.070 55 S CA 0.576 58.771 58.200 -0.007 0.000 0.885 55 S CB 1.313 64.508 63.200 -0.008 0.000 1.157 55 S HN 0.309 8.615 8.310 -0.006 0.000 0.479 56 A N -0.975 121.843 122.820 -0.004 0.000 2.750 56 A HA -0.347 3.970 4.320 -0.005 0.000 0.298 56 A C -0.271 177.312 177.584 -0.002 0.000 1.500 56 A CA 1.522 53.557 52.037 -0.004 0.000 0.891 56 A CB -2.119 16.879 19.000 -0.003 0.000 0.972 56 A HN 0.550 8.697 8.150 -0.006 0.000 0.531 57 G N -3.417 105.382 108.800 -0.002 0.000 2.323 57 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.292 57 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.292 57 G C -1.396 173.505 174.900 0.002 0.000 1.040 57 G CA 0.199 45.299 45.100 -0.000 0.000 0.942 57 G HN 0.147 8.406 8.290 -0.003 0.029 0.506 58 R N -2.877 117.624 120.500 0.002 0.000 2.825 58 R HA 0.072 4.417 4.340 0.008 0.000 0.274 58 R C -2.110 174.194 176.300 0.005 0.000 1.026 58 R CA -0.994 55.110 56.100 0.006 0.000 0.867 58 R CB 2.348 32.653 30.300 0.008 0.000 1.268 58 R HN 0.009 8.168 8.270 0.000 0.111 0.491 59 S N 0.235 115.941 115.700 0.010 0.000 2.624 59 S HA 0.749 5.350 4.470 -0.000 -0.131 0.263 59 S C -0.769 173.835 174.600 0.006 0.000 1.287 59 S CA 0.598 58.803 58.200 0.008 0.000 0.990 59 S CB 1.002 64.213 63.200 0.018 0.000 0.950 59 S HN 0.123 8.442 8.310 0.015 0.000 0.561 60 L N -3.309 117.912 121.223 -0.002 0.000 2.505 60 L HA 0.847 5.458 4.340 0.003 -0.269 0.266 60 L C -1.674 175.187 176.870 -0.015 0.000 0.954 60 L CA -0.503 54.335 54.840 -0.003 0.000 0.852 60 L CB 3.341 45.400 42.059 0.000 0.000 1.282 60 L HN 0.418 8.576 8.230 -0.010 0.067 0.403 61 V N 4.104 124.006 119.914 -0.021 0.000 2.277 61 V HA 0.235 4.460 4.120 -0.040 -0.129 0.269 61 V C -1.579 174.500 176.094 -0.025 0.000 1.036 61 V CA -0.361 61.910 62.300 -0.049 0.000 0.821 61 V CB 0.857 32.606 31.823 -0.124 0.000 1.052 61 V HN 0.640 8.819 8.190 -0.018 0.000 0.462 62 L N 8.979 130.225 121.223 0.038 0.000 2.255 62 L HA 0.758 5.285 4.340 0.066 -0.147 0.289 62 L C -2.144 174.814 176.870 0.148 0.000 1.046 62 L CA -1.829 53.082 54.840 0.118 0.000 0.816 62 L CB 0.993 43.196 42.059 0.241 0.000 1.197 62 L HN 0.446 8.695 8.230 0.033 0.000 0.427 63 A N 6.399 129.263 122.820 0.073 0.000 2.387 63 A HA 0.952 5.482 4.320 0.127 -0.133 0.303 63 A C -2.474 175.167 177.584 0.096 0.000 1.145 63 A CA -1.733 50.347 52.037 0.072 0.000 0.801 63 A CB 4.151 23.138 19.000 -0.022 0.000 1.342 63 A HN 1.284 9.347 8.150 0.033 0.106 0.440 64 K N -5.413 115.063 120.400 0.127 0.000 2.545 64 K HA 0.397 4.819 4.320 0.171 0.000 0.287 64 K C -3.392 173.324 176.600 0.194 0.000 1.074 64 K CA -0.855 55.564 56.287 0.219 0.000 1.048 64 K CB 0.527 33.210 32.500 0.304 0.000 1.384 64 K HN 0.740 8.979 8.250 0.106 0.075 0.440 65 P HA 0.251 4.598 4.420 -0.122 0.000 0.323 65 P C -0.723 176.220 177.300 -0.595 0.000 1.319 65 P CA -0.243 62.764 63.100 -0.155 0.000 0.741 65 P CB 0.683 32.299 31.700 -0.141 0.000 1.545 66 R N -2.169 117.949 120.500 -0.637 0.000 1.991 66 R HA 0.065 3.726 4.340 -1.132 0.000 0.205 66 R C 1.241 176.875 176.300 -1.110 0.000 1.356 66 R CA 0.493 56.053 56.100 -0.899 0.000 1.066 66 R CB 0.294 30.314 30.300 -0.466 0.000 0.854 66 R HN 0.501 8.998 8.270 -0.401 -0.468 0.487 67 C N -0.708 118.267 119.300 -0.543 0.000 2.395 67 C HA -0.369 3.899 4.460 -0.319 0.000 0.287 67 C C 0.507 175.350 174.990 -0.246 0.000 1.281 67 C CA 4.007 62.816 59.018 -0.348 0.000 1.818 67 C CB -0.687 26.924 27.740 -0.215 0.000 1.990 67 C HN 0.084 8.685 8.230 -0.396 -0.609 0.516 68 Y N -4.738 115.445 120.300 -0.196 0.000 2.745 68 Y HA -0.640 3.807 4.550 -0.172 0.000 0.477 68 Y C 1.301 177.073 175.900 -0.214 0.000 1.099 68 Y CA 2.758 60.738 58.100 -0.200 0.000 2.900 68 Y CB -2.336 35.990 38.460 -0.224 0.000 1.080 68 Y HN -0.238 7.778 8.280 -0.485 -0.027 0.599 69 M N -0.272 119.296 119.600 -0.054 0.000 5.241 69 M HA -0.625 3.706 4.480 -0.249 0.000 0.322 69 M C 1.425 177.653 176.300 -0.120 0.000 0.987 69 M CA 4.542 59.743 55.300 -0.164 0.000 1.036 69 M CB -0.470 32.015 32.600 -0.191 0.000 1.161 69 M HN 0.075 8.338 8.290 -0.021 0.015 0.810 70 N N -1.681 116.957 118.700 -0.104 0.000 2.216 70 N HA -0.242 4.457 4.740 -0.068 0.000 0.183 70 N C 2.671 178.132 175.510 -0.082 0.000 1.017 70 N CA 2.859 55.861 53.050 -0.079 0.000 0.861 70 N CB -0.793 37.653 38.487 -0.067 0.000 0.986 70 N HN 0.330 8.642 8.380 -0.112 0.000 0.428 71 E N -0.470 119.669 120.200 -0.101 0.000 2.160 71 E HA -0.343 3.947 4.350 -0.099 0.000 0.195 71 E C 1.259 177.807 176.600 -0.087 0.000 0.991 71 E CA 3.085 59.419 56.400 -0.110 0.000 0.810 71 E CB -0.403 29.193 29.700 -0.173 0.000 0.742 71 E HN -0.013 8.278 8.360 -0.116 0.000 0.466 72 S N 0.336 115.995 115.700 -0.069 0.000 2.348 72 S HA -0.092 4.532 4.470 -0.044 -0.181 0.219 72 S C 2.223 176.774 174.600 -0.082 0.000 1.033 72 S CA 3.364 61.530 58.200 -0.057 0.000 0.974 72 S CB 0.017 63.189 63.200 -0.047 0.000 0.868 72 S HN 0.911 8.916 8.310 -0.069 0.264 0.459 73 G N 1.360 110.107 108.800 -0.088 0.000 2.574 73 G HA2 -0.433 3.476 3.960 -0.110 0.000 0.220 73 G HA3 -0.433 3.451 3.960 -0.075 0.031 0.220 73 G C 1.167 176.020 174.900 -0.078 0.000 1.173 73 G CA 2.544 47.591 45.100 -0.089 0.000 0.772 73 G HN 0.029 8.265 8.290 -0.089 0.000 0.585 74 R N 1.183 121.645 120.500 -0.063 0.000 2.062 74 R HA -0.238 4.077 4.340 -0.042 0.000 0.226 74 R C 1.684 177.954 176.300 -0.049 0.000 1.125 74 R CA 2.563 58.634 56.100 -0.049 0.000 0.966 74 R CB -1.072 29.201 30.300 -0.044 0.000 0.861 74 R HN -0.143 8.089 8.270 -0.064 0.000 0.433 75 Q N 0.682 120.447 119.800 -0.060 0.000 2.118 75 Q HA -0.311 3.995 4.340 -0.057 0.000 0.211 75 Q C 2.424 178.390 176.000 -0.057 0.000 0.998 75 Q CA 3.016 58.782 55.803 -0.061 0.000 0.872 75 Q CB -0.128 28.570 28.738 -0.067 0.000 0.925 75 Q HN -0.171 7.943 8.270 -0.066 0.117 0.414 76 I N -2.111 118.416 120.570 -0.072 0.000 2.202 76 I HA -0.324 3.804 4.170 -0.070 0.000 0.242 76 I C 1.990 178.076 176.117 -0.051 0.000 1.091 76 I CA 0.752 62.003 61.300 -0.082 0.000 1.368 76 I CB -1.683 36.233 38.000 -0.141 0.000 1.058 76 I HN 0.689 8.743 8.210 -0.081 0.107 0.410 77 G N 0.170 108.935 108.800 -0.058 0.000 2.808 77 G HA2 -0.324 3.655 3.960 -0.039 0.000 0.225 77 G HA3 -0.324 3.658 3.960 -0.019 -0.033 0.225 77 G C -1.283 173.638 174.900 0.034 0.000 1.210 77 G CA 3.696 48.782 45.100 -0.023 0.000 0.777 77 G HN 0.002 8.185 8.290 -0.075 0.063 0.640 78 P HA -0.118 4.373 4.420 0.118 0.000 0.215 78 P C 1.152 178.563 177.300 0.184 0.000 1.157 78 P CA 2.304 65.468 63.100 0.106 0.000 0.856 78 P CB -0.144 31.605 31.700 0.081 0.000 0.786 79 L N -2.095 119.189 121.223 0.101 0.000 2.081 79 L HA -0.414 3.989 4.340 0.106 0.000 0.212 79 L C 2.352 179.377 176.870 0.259 0.000 1.080 79 L CA 3.081 57.991 54.840 0.118 0.000 0.754 79 L CB -0.917 41.119 42.059 -0.039 0.000 0.893 79 L HN -0.173 8.076 8.230 0.031 0.000 0.433 80 A N -0.876 122.030 122.820 0.145 0.000 1.855 80 A HA -0.286 4.129 4.320 0.158 0.000 0.215 80 A C 1.930 179.658 177.584 0.240 0.000 1.191 80 A CA 3.396 55.529 52.037 0.160 0.000 0.613 80 A CB -0.661 18.373 19.000 0.057 0.000 0.829 80 A HN 1.188 9.213 8.150 0.073 0.169 0.442 81 K N -2.246 118.276 120.400 0.204 0.000 2.365 81 K HA -0.171 4.247 4.320 0.163 0.000 0.199 81 K C 1.678 178.396 176.600 0.196 0.000 1.045 81 K CA 1.994 58.386 56.287 0.175 0.000 0.962 81 K CB -0.142 32.433 32.500 0.124 0.000 0.759 81 K HN -0.496 7.795 8.250 0.164 0.057 0.469 82 F N -0.398 119.618 119.950 0.111 0.000 2.187 82 F HA -0.178 4.364 4.527 0.025 0.000 0.295 82 F C 0.416 176.244 175.800 0.047 0.000 1.091 82 F CA 2.765 60.810 58.000 0.074 0.000 1.308 82 F CB 0.573 39.638 39.000 0.108 0.000 1.030 82 F HN 0.043 8.414 8.300 0.428 0.186 0.487 83 Y N -4.428 116.121 120.300 0.415 0.000 2.517 83 Y HA -0.147 4.565 4.550 0.270 0.000 0.281 83 Y C -0.574 175.397 175.900 0.118 0.000 1.125 83 Y CA 1.550 59.815 58.100 0.274 0.000 1.283 83 Y CB 1.284 39.894 38.460 0.250 0.000 1.042 83 Y HN -0.391 8.352 8.280 0.771 0.000 0.547 84 S N -2.005 113.843 115.700 0.246 0.000 3.711 84 S HA -0.407 4.192 4.470 0.148 -0.040 0.374 84 S C -0.491 174.204 174.600 0.157 0.000 0.969 84 S CA 0.467 58.757 58.200 0.150 0.000 1.198 84 S CB -2.166 61.073 63.200 0.066 0.000 0.903 84 S HN -0.254 8.093 8.310 0.278 0.130 0.493 85 V N -0.417 119.617 119.914 0.200 0.000 3.134 85 V HA 0.005 4.207 4.120 0.136 0.000 0.313 85 V C -1.227 174.944 176.094 0.128 0.000 1.069 85 V CA -0.810 61.587 62.300 0.162 0.000 1.048 85 V CB 1.524 33.447 31.823 0.166 0.000 1.119 85 V HN -0.989 7.345 8.190 0.239 0.000 0.461 86 A N 0.458 123.326 122.820 0.080 0.000 2.264 86 A HA 0.489 4.795 4.320 -0.025 0.000 0.304 86 A C -1.478 176.106 177.584 -0.001 0.000 1.100 86 A CA -2.390 49.651 52.037 0.007 0.000 0.839 86 A CB 0.139 19.133 19.000 -0.011 0.000 1.121 86 A HN 0.234 8.430 8.150 0.076 0.000 0.496 87 P HA -0.215 4.141 4.420 -0.107 0.000 0.221 87 P C -0.009 177.266 177.300 -0.042 0.000 1.155 87 P CA 1.932 64.835 63.100 -0.329 0.000 0.812 87 P CB 0.276 31.468 31.700 -0.848 0.000 0.801 88 A N -6.340 116.447 122.820 -0.056 0.000 2.235 88 A HA -0.136 4.183 4.320 -0.000 0.000 0.208 88 A C -0.125 177.471 177.584 0.021 0.000 1.172 88 A CA 1.502 53.532 52.037 -0.011 0.000 0.786 88 A CB -1.040 17.945 19.000 -0.026 0.000 0.804 88 A HN 0.265 8.361 8.150 -0.089 0.000 0.479 89 N N -3.151 115.574 118.700 0.043 0.000 2.407 89 N HA 0.107 4.869 4.740 0.037 0.000 0.182 89 N C -0.858 174.698 175.510 0.076 0.000 1.079 89 N CA 0.285 53.366 53.050 0.052 0.000 0.882 89 N CB 2.195 40.715 38.487 0.054 0.000 1.106 89 N HN -0.587 7.609 8.380 0.047 0.212 0.461 90 I N 1.257 121.908 120.570 0.135 0.000 2.395 90 I HA 0.210 4.563 4.170 0.085 -0.133 0.289 90 I C -1.503 174.692 176.117 0.130 0.000 1.023 90 I CA 0.569 61.959 61.300 0.150 0.000 1.350 90 I CB 1.306 39.465 38.000 0.264 0.000 1.409 90 I HN -0.582 7.621 8.210 0.169 0.109 0.507 91 I N 3.622 124.234 120.570 0.071 0.000 2.468 91 I HA 0.680 5.019 4.170 0.079 -0.121 0.285 91 I C -2.507 173.629 176.117 0.033 0.000 1.039 91 I CA -1.966 59.369 61.300 0.058 0.000 1.074 91 I CB 3.407 41.434 38.000 0.045 0.000 1.228 91 I HN 0.395 8.633 8.210 0.047 0.000 0.436 92 V N 8.659 128.592 119.914 0.031 0.000 2.370 92 V HA 0.891 5.244 4.120 -0.009 -0.239 0.279 92 V C -1.249 174.865 176.094 0.032 0.000 1.029 92 V CA -3.064 59.240 62.300 0.006 0.000 0.870 92 V CB 2.261 34.070 31.823 -0.023 0.000 0.984 92 V HN 0.328 8.450 8.190 0.050 0.098 0.451 93 I N 8.244 128.829 120.570 0.025 0.000 2.428 93 I HA 0.714 5.048 4.170 0.076 -0.118 0.296 93 I C -1.013 175.174 176.117 0.116 0.000 0.985 93 I CA -3.254 58.081 61.300 0.060 0.000 1.260 93 I CB -0.622 37.400 38.000 0.036 0.000 1.389 93 I HN 0.862 9.072 8.210 0.001 0.000 0.484 94 H N 4.165 123.243 119.070 0.013 0.000 2.918 94 H HA 0.384 5.096 4.556 0.003 -0.154 0.303 94 H C -2.239 173.115 175.328 0.043 0.000 1.380 94 H CA -2.001 54.060 56.048 0.022 0.000 1.134 94 H CB 3.973 33.756 29.762 0.035 0.000 1.842 94 H HN 0.362 8.644 8.280 0.167 0.098 0.533 95 D N -0.046 120.240 120.400 -0.191 0.000 2.198 95 D HA 0.027 4.710 4.640 -0.036 -0.065 0.247 95 D C -2.535 173.616 176.300 -0.248 0.000 1.010 95 D CA -0.545 53.358 54.000 -0.161 0.000 0.880 95 D CB 1.732 42.472 40.800 -0.100 0.000 1.209 95 D HN 0.052 7.975 8.370 -0.745 0.000 0.451 96 D N 0.338 120.664 120.400 -0.124 0.000 2.654 96 D HA 0.277 4.826 4.640 -0.151 0.000 0.231 96 D C -1.416 174.804 176.300 -0.134 0.000 1.239 96 D CA -0.869 53.056 54.000 -0.124 0.000 0.790 96 D CB 4.191 44.943 40.800 -0.080 0.000 1.480 96 D HN 0.731 8.954 8.370 -0.072 0.104 0.442 97 L N -0.552 120.569 121.223 -0.170 0.000 2.260 97 L HA 0.749 5.091 4.340 -0.318 -0.193 0.289 97 L C -1.494 175.252 176.870 -0.207 0.000 1.057 97 L CA 0.131 54.819 54.840 -0.254 0.000 0.811 97 L CB 0.926 42.802 42.059 -0.306 0.000 1.184 97 L HN 0.272 8.410 8.230 -0.154 0.000 0.429 98 D N 3.822 124.090 120.400 -0.220 0.000 3.194 98 D HA 0.035 4.594 4.640 -0.135 0.000 0.290 98 D C -0.710 175.467 176.300 -0.205 0.000 1.280 98 D CA 0.193 54.094 54.000 -0.166 0.000 1.058 98 D CB 2.189 42.920 40.800 -0.115 0.000 1.241 98 D HN 0.319 8.531 8.370 -0.263 0.000 0.421 99 L N -3.552 117.518 121.223 -0.254 0.000 3.047 99 L HA 0.241 4.440 4.340 -0.236 0.000 0.218 99 L C -0.799 175.863 176.870 -0.347 0.000 1.497 99 L CA -0.162 54.519 54.840 -0.266 0.000 2.474 99 L CB 2.060 43.975 42.059 -0.241 0.000 2.343 99 L HN -0.584 7.487 8.230 -0.265 0.000 0.831 100 E N -1.440 118.573 120.200 -0.313 0.000 2.359 100 E HA 0.046 4.193 4.350 -0.339 0.000 0.255 100 E C 0.233 176.653 176.600 -0.301 0.000 1.191 100 E CA -0.606 55.620 56.400 -0.290 0.000 0.952 100 E CB 1.028 30.623 29.700 -0.175 0.000 1.152 100 E HN -0.282 7.900 8.360 -0.296 0.000 0.496 101 F N 0.706 120.583 119.950 -0.121 0.000 2.573 101 F HA 0.040 4.560 4.527 -0.125 -0.067 0.349 101 F C -0.796 175.002 175.800 -0.002 0.000 1.213 101 F CA -0.742 57.209 58.000 -0.082 0.000 1.300 101 F CB -0.797 38.167 39.000 -0.061 0.000 1.661 101 F HN 0.593 8.943 8.300 0.082 0.000 0.616 102 G N 0.241 109.113 108.800 0.120 0.000 4.445 102 G HA2 -0.085 3.986 3.960 0.184 0.000 0.228 102 G HA3 -0.085 4.160 3.960 0.126 -0.209 0.228 102 G C -2.603 172.352 174.900 0.093 0.000 2.381 102 G CA 0.408 45.586 45.100 0.131 0.000 0.984 102 G HN -0.509 7.750 8.290 0.016 0.041 0.427 103 R N -0.617 119.919 120.500 0.059 0.000 2.867 103 R HA 0.480 5.009 4.340 0.315 0.000 0.268 103 R C -2.135 174.306 176.300 0.235 0.000 1.014 103 R CA -2.172 53.976 56.100 0.081 0.000 0.946 103 R CB 3.837 33.983 30.300 -0.256 0.000 1.208 103 R HN -0.227 8.073 8.270 0.049 0.000 0.477 104 I N -2.913 117.898 120.570 0.402 0.000 2.957 104 I HA 0.259 4.600 4.170 0.189 -0.056 0.310 104 I C -1.759 174.515 176.117 0.263 0.000 1.063 104 I CA -1.574 59.898 61.300 0.286 0.000 1.033 104 I CB 2.741 40.900 38.000 0.264 0.000 1.230 104 I HN 0.195 8.819 8.210 0.690 0.000 0.447 105 R N 1.390 121.990 120.500 0.166 0.000 2.713 105 R HA 0.361 4.819 4.340 0.196 0.000 0.282 105 R C -2.349 173.996 176.300 0.076 0.000 1.472 105 R CA -0.949 55.231 56.100 0.134 0.000 1.060 105 R CB 2.464 32.818 30.300 0.091 0.000 1.237 105 R HN 0.649 8.923 8.270 0.130 0.074 0.484 106 L N 0.105 121.350 121.223 0.037 0.000 2.282 106 L HA 0.642 4.999 4.340 0.029 0.000 0.288 106 L C -1.162 175.701 176.870 -0.013 0.000 1.033 106 L CA -1.972 52.872 54.840 0.006 0.000 0.807 106 L CB 0.013 42.061 42.059 -0.017 0.000 1.209 106 L HN 0.145 8.384 8.230 0.015 0.000 0.423 107 K N 3.370 123.776 120.400 0.010 0.000 2.466 107 K HA 0.311 4.626 4.320 -0.008 0.000 0.277 107 K C -1.175 175.439 176.600 0.023 0.000 1.039 107 K CA -1.743 54.550 56.287 0.010 0.000 0.904 107 K CB 4.239 36.751 32.500 0.020 0.000 1.506 107 K HN 0.461 8.727 8.250 0.026 0.000 0.441 108 I N -0.529 120.054 120.570 0.023 0.000 4.300 108 I HA 0.224 4.418 4.170 0.040 0.000 0.234 108 I C 1.318 177.462 176.117 0.045 0.000 1.037 108 I CA 1.000 62.319 61.300 0.031 0.000 1.620 108 I CB 0.146 38.155 38.000 0.015 0.000 1.514 108 I HN 0.095 8.315 8.210 0.016 0.000 0.462 109 G N 0.077 108.898 108.800 0.034 0.000 2.414 109 G HA2 -0.176 3.814 3.960 0.050 0.000 0.215 109 G HA3 -0.176 3.801 3.960 0.028 0.000 0.215 109 G C 0.500 175.428 174.900 0.047 0.000 1.188 109 G CA 0.822 45.946 45.100 0.040 0.000 0.783 109 G HN 0.042 8.345 8.290 0.022 0.000 0.537 110 G N 0.215 109.037 108.800 0.037 0.000 2.178 110 G HA2 -0.140 3.841 3.960 0.035 0.000 0.244 110 G HA3 -0.140 3.839 3.960 0.032 0.000 0.244 110 G C -0.747 174.183 174.900 0.049 0.000 1.213 110 G CA 0.028 45.151 45.100 0.037 0.000 0.912 110 G HN -0.178 8.130 8.290 0.030 0.000 0.474 111 G N 2.298 111.129 108.800 0.051 0.000 2.336 111 G HA2 0.022 4.020 3.960 0.065 0.000 0.286 111 G HA3 0.022 4.027 3.960 0.075 0.000 0.286 111 G C -1.677 173.262 174.900 0.064 0.000 1.269 111 G CA -0.308 44.831 45.100 0.065 0.000 0.873 111 G HN -0.438 7.879 8.290 0.044 0.000 0.494 112 E N -0.749 119.501 120.200 0.083 0.000 2.811 112 E HA -0.274 4.143 4.350 0.110 0.000 0.150 112 E C -1.084 175.551 176.600 0.059 0.000 1.823 112 E CA 0.818 57.267 56.400 0.082 0.000 0.661 112 E CB -0.578 29.162 29.700 0.067 0.000 1.086 112 E HN 0.312 8.731 8.360 0.098 0.000 0.354 113 G N 2.579 111.417 108.800 0.063 0.000 4.294 113 G HA2 0.088 4.047 3.960 -0.001 0.000 0.301 113 G HA3 0.088 4.045 3.960 -0.004 0.000 0.301 113 G C -0.829 174.043 174.900 -0.047 0.000 1.321 113 G CA -0.550 44.554 45.100 0.006 0.000 1.190 113 G HN 0.146 8.502 8.290 0.109 0.000 0.600 114 G N 0.454 109.243 108.800 -0.019 0.000 3.414 114 G HA2 -0.279 3.674 3.960 -0.012 0.000 0.504 114 G HA3 -0.279 3.612 3.960 -0.116 0.000 0.504 114 G C -1.394 173.442 174.900 -0.108 0.000 0.936 114 G CA 0.122 45.184 45.100 -0.064 0.000 0.748 114 G HN -0.222 8.017 8.290 0.021 0.064 0.408 115 H N 2.505 121.604 119.070 0.049 0.000 3.027 115 H HA 0.038 4.630 4.556 0.060 0.000 0.290 115 H C -1.081 174.272 175.328 0.041 0.000 1.190 115 H CA -0.697 55.391 56.048 0.066 0.000 1.637 115 H CB 1.489 31.328 29.762 0.129 0.000 2.214 115 H HN -0.371 7.975 8.280 0.110 0.000 0.451 116 N N 6.839 125.657 118.700 0.197 0.000 2.104 116 N HA -0.368 4.416 4.740 0.073 0.000 0.190 116 N C 1.431 176.965 175.510 0.040 0.000 1.024 116 N CA 3.739 56.840 53.050 0.085 0.000 0.853 116 N CB 0.260 38.780 38.487 0.055 0.000 1.008 116 N HN 0.669 9.204 8.380 0.258 0.000 0.424 117 G N -0.364 108.441 108.800 0.009 0.000 2.480 117 G HA2 -0.306 3.678 3.960 -0.061 0.000 0.216 117 G HA3 -0.306 3.565 3.960 -0.119 0.018 0.216 117 G C 1.139 176.020 174.900 -0.033 0.000 1.200 117 G CA 1.846 46.913 45.100 -0.055 0.000 0.782 117 G HN 0.205 8.500 8.290 0.006 -0.002 0.554 118 L N 0.455 121.689 121.223 0.018 0.000 2.013 118 L HA -0.484 3.847 4.340 -0.015 0.000 0.212 118 L C 2.197 179.084 176.870 0.029 0.000 1.073 118 L CA 2.743 57.605 54.840 0.037 0.000 0.753 118 L CB -0.748 41.390 42.059 0.132 0.000 0.890 118 L HN -0.450 7.823 8.230 0.072 0.000 0.432 119 R N -1.726 118.805 120.500 0.051 0.000 2.120 119 R HA -0.355 4.008 4.340 0.038 0.000 0.234 119 R C 2.748 179.055 176.300 0.012 0.000 1.123 119 R CA 3.488 59.610 56.100 0.037 0.000 0.975 119 R CB -0.267 30.060 30.300 0.045 0.000 0.866 119 R HN 0.665 8.871 8.270 0.082 0.113 0.446 120 S N -0.643 115.056 115.700 -0.002 0.000 2.428 120 S HA -0.146 4.319 4.470 -0.010 0.000 0.230 120 S C 2.201 176.776 174.600 -0.041 0.000 1.014 120 S CA 2.935 61.123 58.200 -0.019 0.000 0.957 120 S CB -0.564 62.619 63.200 -0.028 0.000 0.784 120 S HN 0.170 8.244 8.310 0.003 0.238 0.499 121 V N 4.294 124.173 119.914 -0.059 0.000 2.379 121 V HA -0.260 3.903 4.120 -0.122 -0.116 0.245 121 V C 1.309 177.334 176.094 -0.115 0.000 1.044 121 V CA 3.652 65.885 62.300 -0.111 0.000 1.036 121 V CB 0.171 31.914 31.823 -0.133 0.000 0.664 121 V HN 0.109 8.129 8.190 -0.045 0.142 0.453 122 V N 0.831 120.715 119.914 -0.049 0.000 2.343 122 V HA -0.463 3.659 4.120 0.003 0.000 0.247 122 V C 1.392 177.497 176.094 0.019 0.000 1.051 122 V CA 3.580 65.882 62.300 0.003 0.000 1.036 122 V CB -0.720 31.127 31.823 0.040 0.000 0.654 122 V HN -0.181 7.993 8.190 -0.027 0.000 0.451 123 A N -1.423 121.401 122.820 0.008 0.000 1.929 123 A HA -0.153 4.185 4.320 0.030 0.000 0.216 123 A C 1.435 179.023 177.584 0.008 0.000 1.176 123 A CA 2.710 54.756 52.037 0.015 0.000 0.628 123 A CB -0.578 18.429 19.000 0.012 0.000 0.816 123 A HN -0.133 8.017 8.150 0.000 0.000 0.444 124 A N -1.504 121.305 122.820 -0.018 0.000 1.872 124 A HA -0.141 4.175 4.320 -0.007 0.000 0.214 124 A C 1.889 179.460 177.584 -0.022 0.000 1.187 124 A CA 2.356 54.377 52.037 -0.025 0.000 0.614 124 A CB -0.011 18.958 19.000 -0.051 0.000 0.826 124 A HN -0.180 7.748 8.150 -0.033 0.202 0.442 125 L N -5.950 115.230 121.223 -0.071 0.000 2.341 125 L HA -0.168 4.162 4.340 -0.017 0.000 0.214 125 L C 0.678 177.633 176.870 0.142 0.000 1.115 125 L CA 1.214 56.017 54.840 -0.062 0.000 0.820 125 L CB 0.590 42.322 42.059 -0.546 0.000 0.944 125 L HN 0.470 8.492 8.230 -0.110 0.143 0.452 126 G N -3.187 105.675 108.800 0.104 0.000 2.184 126 G HA2 -0.403 3.598 3.960 0.084 0.000 0.264 126 G HA3 -0.403 3.631 3.960 0.122 0.000 0.264 126 G C -0.540 174.471 174.900 0.186 0.000 0.975 126 G CA 0.493 45.668 45.100 0.126 0.000 0.642 126 G HN -0.107 7.971 8.290 0.047 0.240 0.536 127 T N -2.723 112.020 114.554 0.315 0.000 0.561 127 T HA -0.236 4.450 4.350 0.561 0.000 0.771 127 T C -1.212 173.649 174.700 0.268 0.000 0.992 127 T CA 0.561 62.886 62.100 0.374 0.000 4.065 127 T CB 0.363 69.337 68.868 0.178 0.000 2.296 127 T HN -0.790 7.566 8.240 0.304 0.066 0.396 128 K N 4.680 125.100 120.400 0.033 0.000 2.586 128 K HA 0.173 4.376 4.320 -0.195 0.000 0.198 128 K C -1.354 174.949 176.600 -0.496 0.000 1.170 128 K CA -1.038 54.969 56.287 -0.467 0.000 1.069 128 K CB 0.996 32.981 32.500 -0.859 0.000 0.944 128 K HN 0.239 8.620 8.250 0.218 0.000 0.572 129 D N -3.095 117.177 120.400 -0.214 0.000 3.103 129 D HA -0.275 4.366 4.640 0.001 0.000 0.211 129 D C -1.185 175.064 176.300 -0.085 0.000 1.100 129 D CA 1.086 55.024 54.000 -0.102 0.000 0.961 129 D CB -0.286 40.440 40.800 -0.122 0.000 1.093 129 D HN 0.045 8.416 8.370 0.002 0.000 0.427 130 F N -3.251 116.708 119.950 0.015 0.000 2.668 130 F HA -0.374 4.247 4.527 0.013 -0.086 0.338 130 F C 0.699 176.508 175.800 0.014 0.000 1.194 130 F CA 1.536 59.545 58.000 0.014 0.000 1.385 130 F CB 0.440 39.449 39.000 0.015 0.000 1.088 130 F HN -0.583 7.635 8.300 -0.088 0.029 0.624 131 Q N -2.248 117.674 119.800 0.204 0.000 2.221 131 Q HA 0.199 4.773 4.340 0.094 -0.178 0.242 131 Q C -0.093 175.972 176.000 0.108 0.000 0.940 131 Q CA -0.127 55.745 55.803 0.115 0.000 0.896 131 Q CB 2.521 31.304 28.738 0.075 0.000 1.226 131 Q HN 0.170 8.580 8.270 0.232 0.000 0.463 132 R N -0.959 119.588 120.500 0.078 0.000 2.698 132 R HA 0.561 5.158 4.340 0.067 -0.217 0.275 132 R C -1.992 174.343 176.300 0.058 0.000 1.001 132 R CA -1.329 54.813 56.100 0.070 0.000 0.896 132 R CB 4.196 34.543 30.300 0.079 0.000 1.218 132 R HN 0.671 8.980 8.270 0.065 0.000 0.462 133 V N 3.170 123.122 119.914 0.062 0.000 2.380 133 V HA 0.387 4.636 4.120 0.050 -0.098 0.268 133 V C -1.182 174.958 176.094 0.077 0.000 1.008 133 V CA -1.298 61.037 62.300 0.058 0.000 0.823 133 V CB 0.090 31.939 31.823 0.044 0.000 1.053 133 V HN 1.176 9.273 8.190 0.067 0.134 0.446 134 R N 4.808 125.356 120.500 0.079 0.000 2.459 134 R HA 0.424 5.017 4.340 0.105 -0.190 0.281 134 R C -0.734 175.607 176.300 0.068 0.000 1.050 134 R CA -0.814 55.333 56.100 0.079 0.000 1.055 134 R CB 1.603 31.940 30.300 0.061 0.000 1.045 134 R HN 0.505 8.817 8.270 0.069 0.000 0.495 135 I N 1.832 122.435 120.570 0.056 0.000 2.488 135 I HA 0.120 4.421 4.170 0.099 -0.072 0.299 135 I C -0.281 175.852 176.117 0.027 0.000 0.984 135 I CA -0.830 60.511 61.300 0.067 0.000 1.250 135 I CB 1.517 39.564 38.000 0.079 0.000 1.389 135 I HN 0.876 8.989 8.210 0.043 0.122 0.488 136 G N 4.263 113.083 108.800 0.034 0.000 2.663 136 G HA2 0.419 4.500 3.960 -0.077 0.000 0.320 136 G HA3 0.419 4.345 3.960 -0.057 0.000 0.320 136 G C -1.481 173.367 174.900 -0.087 0.000 0.937 136 G CA -0.905 44.166 45.100 -0.048 0.000 1.332 136 G HN 0.681 8.955 8.290 0.085 0.066 0.461 137 I N 1.702 122.197 120.570 -0.125 0.000 2.361 137 I HA 0.392 4.574 4.170 0.022 0.000 0.282 137 I C -0.724 174.910 176.117 -0.805 0.000 1.075 137 I CA -2.143 59.082 61.300 -0.126 0.000 1.205 137 I CB -0.960 37.148 38.000 0.180 0.000 1.406 137 I HN 0.849 8.827 8.210 -0.126 0.157 0.481 138 G N 5.193 113.258 108.800 -1.224 0.000 2.894 138 G HA2 -0.407 2.904 3.960 -1.170 0.000 0.247 138 G HA3 -0.407 2.096 3.960 -2.429 0.000 0.247 138 G C -2.703 171.725 174.900 -0.787 0.000 1.442 138 G CA -0.252 43.957 45.100 -1.485 0.000 0.897 138 G HN 0.338 8.068 8.290 -0.795 0.084 0.550 139 R N -3.023 117.081 120.500 -0.660 0.000 2.808 139 R HA 0.313 4.442 4.340 -0.351 0.000 0.272 139 R C -2.539 173.573 176.300 -0.314 0.000 0.995 139 R CA -3.072 52.794 56.100 -0.389 0.000 0.917 139 R CB 1.352 31.491 30.300 -0.269 0.000 1.217 139 R HN -0.088 7.739 8.270 -0.739 0.000 0.471 140 P HA 0.240 4.633 4.420 -0.045 0.000 0.276 140 P C -1.475 175.810 177.300 -0.026 0.000 1.264 140 P CA -1.837 61.217 63.100 -0.076 0.000 0.769 140 P CB -0.122 31.541 31.700 -0.062 0.000 0.840 141 P HA -0.029 4.409 4.420 0.030 0.000 0.222 141 P C -0.499 176.821 177.300 0.033 0.000 1.153 141 P CA 0.385 63.523 63.100 0.064 0.000 0.798 141 P CB 0.774 32.565 31.700 0.151 0.000 0.796 142 G N -2.084 106.736 108.800 0.033 0.000 2.512 142 G HA2 0.016 3.978 3.960 0.003 0.000 0.186 142 G HA3 0.016 3.983 3.960 0.012 0.000 0.186 142 G C -1.270 173.637 174.900 0.012 0.000 1.189 142 G CA -0.364 44.744 45.100 0.013 0.000 0.994 142 G HN -0.513 7.787 8.290 0.051 0.020 0.506 143 R N -0.162 120.342 120.500 0.006 0.000 2.397 143 R HA 0.043 4.385 4.340 0.004 0.000 0.241 143 R C 1.374 177.676 176.300 0.004 0.000 0.914 143 R CA -0.192 55.910 56.100 0.003 0.000 1.071 143 R CB 0.646 30.945 30.300 -0.002 0.000 1.116 143 R HN 0.102 8.374 8.270 0.003 0.000 0.524 144 K N -0.313 120.089 120.400 0.004 0.000 2.001 144 K HA -0.165 4.150 4.320 -0.009 0.000 0.214 144 K C -0.107 176.493 176.600 -0.000 0.000 1.050 144 K CA 1.833 58.116 56.287 -0.006 0.000 0.934 144 K CB 0.225 32.713 32.500 -0.021 0.000 0.718 144 K HN -0.452 7.747 8.250 0.007 0.055 0.443 145 D N -3.182 117.228 120.400 0.017 0.000 2.484 145 D HA 0.210 4.866 4.640 0.027 0.000 0.223 145 D C -1.834 174.521 176.300 0.091 0.000 1.350 145 D CA -0.924 53.096 54.000 0.033 0.000 0.940 145 D CB 1.200 42.007 40.800 0.012 0.000 1.525 145 D HN -0.364 8.025 8.370 0.032 0.000 0.504 146 P HA -0.069 4.433 4.420 0.136 0.000 0.214 146 P C 0.836 178.180 177.300 0.073 0.000 1.162 146 P CA 1.647 64.794 63.100 0.078 0.000 0.871 146 P CB 0.683 32.389 31.700 0.010 0.000 0.783 147 A N -2.096 120.745 122.820 0.035 0.000 1.908 147 A HA -0.399 3.919 4.320 -0.004 0.000 0.218 147 A C 1.437 179.074 177.584 0.089 0.000 1.181 147 A CA 2.894 54.948 52.037 0.028 0.000 0.627 147 A CB -1.232 17.771 19.000 0.005 0.000 0.818 147 A HN 0.353 8.514 8.150 0.019 0.000 0.445 148 A N -2.389 120.492 122.820 0.102 0.000 1.902 148 A HA -0.290 4.098 4.320 0.114 0.000 0.217 148 A C 0.965 178.660 177.584 0.186 0.000 1.181 148 A CA 2.590 54.695 52.037 0.114 0.000 0.623 148 A CB -0.587 18.453 19.000 0.066 0.000 0.818 148 A HN 0.053 8.251 8.150 0.081 0.000 0.443 149 F N -2.771 117.186 119.950 0.011 0.000 2.456 149 F HA -0.123 4.416 4.527 0.020 0.000 0.298 149 F C 1.534 177.373 175.800 0.065 0.000 1.104 149 F CA 0.270 58.282 58.000 0.020 0.000 1.435 149 F CB 0.353 39.349 39.000 -0.007 0.000 1.078 149 F HN -0.656 7.717 8.300 0.282 0.096 0.546 150 V N -0.568 119.456 119.914 0.183 0.000 2.788 150 V HA -0.235 3.945 4.120 0.100 0.000 0.251 150 V C 0.611 176.766 176.094 0.101 0.000 1.068 150 V CA 2.165 64.517 62.300 0.086 0.000 1.090 150 V CB 0.403 32.217 31.823 -0.014 0.000 0.710 150 V HN -0.090 8.032 8.190 0.161 0.165 0.467 151 L N -2.103 119.194 121.223 0.122 0.000 3.029 151 L HA 0.195 4.600 4.340 0.109 0.000 0.231 151 L C -0.388 176.546 176.870 0.107 0.000 1.327 151 L CA -0.812 54.110 54.840 0.137 0.000 1.166 151 L CB -2.317 39.895 42.059 0.255 0.000 1.532 151 L HN -0.340 7.847 8.230 0.145 0.129 0.473 152 E N 0.138 120.386 120.200 0.080 0.000 2.546 152 E HA -0.103 4.296 4.350 0.082 0.000 0.307 152 E C -0.368 176.250 176.600 0.031 0.000 0.688 152 E CA 1.227 57.661 56.400 0.058 0.000 1.855 152 E CB 1.031 30.745 29.700 0.023 0.000 1.494 152 E HN -0.816 7.516 8.360 0.066 0.068 0.550 153 N N -4.083 114.631 118.700 0.022 0.000 3.849 153 N HA -0.044 4.719 4.740 0.038 0.000 0.109 153 N C -0.277 175.313 175.510 0.133 0.000 0.848 153 N CA 0.268 53.352 53.050 0.056 0.000 3.154 153 N CB -0.421 38.092 38.487 0.043 0.000 1.283 153 N HN 0.086 8.446 8.380 -0.035 0.000 0.806 154 F N 1.902 121.735 119.950 -0.196 0.000 2.708 154 F HA 0.142 4.580 4.527 -0.149 0.000 0.299 154 F C 0.942 176.667 175.800 -0.126 0.000 1.289 154 F CA -2.158 55.718 58.000 -0.207 0.000 1.444 154 F CB -2.093 36.658 39.000 -0.415 0.000 1.086 154 F HN 0.291 8.603 8.300 0.019 0.000 0.528 155 T N 1.271 115.856 114.554 0.051 0.000 2.684 155 T HA -0.398 3.970 4.350 0.030 0.000 0.259 155 T C -0.630 174.059 174.700 -0.019 0.000 1.086 155 T CA 5.534 67.644 62.100 0.016 0.000 1.155 155 T CB -2.962 65.912 68.868 0.011 0.000 0.848 155 T HN 0.264 8.527 8.240 0.066 0.017 0.464 156 P HA 0.002 4.380 4.420 -0.069 0.000 0.209 156 P C 0.789 178.003 177.300 -0.144 0.000 1.203 156 P CA 2.199 65.233 63.100 -0.109 0.000 0.916 156 P CB -0.731 30.884 31.700 -0.143 0.000 0.763 157 A N -1.909 120.716 122.820 -0.324 0.000 1.958 157 A HA -0.293 3.880 4.320 -0.245 0.000 0.221 157 A C 2.694 180.257 177.584 -0.035 0.000 1.178 157 A CA 3.048 54.875 52.037 -0.351 0.000 0.642 157 A CB -0.908 17.381 19.000 -1.185 0.000 0.816 157 A HN 0.114 7.973 8.150 -0.484 0.000 0.453 158 E N -3.081 117.142 120.200 0.038 0.000 2.152 158 E HA -0.194 4.237 4.350 0.135 0.000 0.192 158 E C 2.413 179.044 176.600 0.052 0.000 0.983 158 E CA 2.545 58.998 56.400 0.087 0.000 0.818 158 E CB -0.300 29.438 29.700 0.062 0.000 0.758 158 E HN 0.849 9.046 8.360 0.008 0.167 0.467 159 R N -0.923 119.588 120.500 0.018 0.000 2.091 159 R HA -0.232 4.123 4.340 0.026 0.000 0.238 159 R C 1.850 178.163 176.300 0.022 0.000 1.136 159 R CA 2.641 58.750 56.100 0.015 0.000 0.959 159 R CB -0.539 29.759 30.300 -0.003 0.000 0.856 159 R HN -0.388 7.649 8.270 -0.007 0.228 0.437 160 A N -2.529 120.300 122.820 0.015 0.000 1.970 160 A HA 0.033 4.367 4.320 0.024 0.000 0.216 160 A C 1.551 179.170 177.584 0.058 0.000 1.170 160 A CA 2.430 54.482 52.037 0.026 0.000 0.645 160 A CB 0.376 19.381 19.000 0.008 0.000 0.816 160 A HN -0.082 8.066 8.150 -0.004 0.000 0.447 161 E N -1.082 119.165 120.200 0.078 0.000 2.107 161 E HA -0.264 4.161 4.350 0.125 0.000 0.191 161 E C 2.249 178.921 176.600 0.120 0.000 0.982 161 E CA 2.906 59.378 56.400 0.121 0.000 0.809 161 E CB -0.187 29.613 29.700 0.166 0.000 0.756 161 E HN -0.385 7.931 8.360 0.069 0.085 0.459 162 V N 1.012 120.982 119.914 0.093 0.000 2.252 162 V HA -0.205 3.972 4.120 0.095 0.000 0.249 162 V C -1.164 174.973 176.094 0.070 0.000 1.056 162 V CA 6.731 69.079 62.300 0.081 0.000 1.022 162 V CB -2.572 29.286 31.823 0.059 0.000 0.641 162 V HN 0.969 9.062 8.190 0.080 0.145 0.445 163 P HA 0.075 4.516 4.420 0.035 0.000 0.222 163 P C 1.882 179.218 177.300 0.060 0.000 1.153 163 P CA 2.639 65.765 63.100 0.044 0.000 0.798 163 P CB -0.485 31.233 31.700 0.031 0.000 0.796 164 T N 2.216 116.822 114.554 0.088 0.000 2.643 164 T HA -0.308 4.098 4.350 0.095 0.000 0.264 164 T C 1.964 176.759 174.700 0.158 0.000 1.045 164 T CA 4.759 66.932 62.100 0.121 0.000 1.155 164 T CB -0.256 68.698 68.868 0.143 0.000 0.863 164 T HN -0.272 7.894 8.240 0.089 0.128 0.420 165 I N 2.635 123.329 120.570 0.206 0.000 2.163 165 I HA -0.366 4.023 4.170 0.366 0.000 0.240 165 I C 0.955 177.135 176.117 0.106 0.000 1.081 165 I CA 2.932 64.385 61.300 0.256 0.000 1.353 165 I CB -0.854 37.335 38.000 0.315 0.000 1.054 165 I HN 0.545 8.766 8.210 0.191 0.104 0.407 166 C N -0.147 119.204 119.300 0.084 0.000 2.375 166 C HA -0.507 3.975 4.460 0.036 0.000 0.274 166 C C 2.251 177.244 174.990 0.004 0.000 1.190 166 C CA 4.993 64.034 59.018 0.037 0.000 1.775 166 C CB -1.910 25.848 27.740 0.030 0.000 2.067 166 C HN 0.057 8.346 8.230 0.099 0.000 0.463 167 E N 0.170 120.375 120.200 0.009 0.000 2.077 167 E HA -0.409 3.931 4.350 -0.017 0.000 0.193 167 E C 2.113 178.675 176.600 -0.062 0.000 0.989 167 E CA 3.262 59.653 56.400 -0.016 0.000 0.800 167 E CB -0.398 29.303 29.700 0.001 0.000 0.746 167 E HN 0.064 8.329 8.360 0.033 0.115 0.452 168 Q N -0.240 119.502 119.800 -0.097 0.000 2.046 168 Q HA -0.280 3.924 4.340 -0.228 0.000 0.200 168 Q C 2.545 178.389 176.000 -0.261 0.000 0.975 168 Q CA 3.117 58.766 55.803 -0.257 0.000 0.836 168 Q CB -0.116 28.314 28.738 -0.513 0.000 0.896 168 Q HN -0.341 7.817 8.270 -0.040 0.088 0.428 169 A N -1.237 121.477 122.820 -0.177 0.000 1.969 169 A HA -0.329 3.886 4.320 -0.175 0.000 0.218 169 A C 1.518 179.054 177.584 -0.081 0.000 1.169 169 A CA 2.926 54.889 52.037 -0.122 0.000 0.635 169 A CB -0.616 18.364 19.000 -0.032 0.000 0.810 169 A HN 0.980 8.934 8.150 -0.107 0.132 0.445 170 A N -1.227 121.556 122.820 -0.061 0.000 1.902 170 A HA -0.337 3.964 4.320 -0.031 0.000 0.217 170 A C 1.898 179.451 177.584 -0.052 0.000 1.181 170 A CA 3.288 55.300 52.037 -0.042 0.000 0.623 170 A CB -0.744 18.238 19.000 -0.029 0.000 0.818 170 A HN 0.735 8.634 8.150 -0.057 0.217 0.443 171 D N -0.637 119.719 120.400 -0.074 0.000 2.117 171 D HA -0.257 4.351 4.640 -0.052 0.000 0.198 171 D C 2.176 178.430 176.300 -0.076 0.000 0.982 171 D CA 3.734 57.690 54.000 -0.073 0.000 0.828 171 D CB -0.461 40.285 40.800 -0.090 0.000 0.967 171 D HN -0.252 7.976 8.370 -0.091 0.088 0.464 172 A N -0.285 122.472 122.820 -0.105 0.000 1.908 172 A HA -0.380 3.887 4.320 -0.087 0.000 0.218 172 A C 2.092 179.639 177.584 -0.061 0.000 1.181 172 A CA 3.451 55.431 52.037 -0.095 0.000 0.627 172 A CB -0.717 18.207 19.000 -0.128 0.000 0.818 172 A HN 0.168 8.170 8.150 -0.136 0.067 0.445 173 T N 0.639 115.161 114.554 -0.053 0.000 2.674 173 T HA -0.412 3.919 4.350 -0.032 0.000 0.265 173 T C 1.960 176.643 174.700 -0.028 0.000 1.039 173 T CA 4.829 66.909 62.100 -0.034 0.000 1.150 173 T CB -0.209 68.644 68.868 -0.025 0.000 0.864 173 T HN 0.104 8.124 8.240 -0.060 0.184 0.427 174 E N 2.438 122.621 120.200 -0.029 0.000 2.058 174 E HA -0.326 4.014 4.350 -0.017 0.000 0.194 174 E C 2.441 179.027 176.600 -0.023 0.000 0.997 174 E CA 2.962 59.349 56.400 -0.023 0.000 0.801 174 E CB -0.587 29.099 29.700 -0.023 0.000 0.746 174 E HN -0.192 8.147 8.360 -0.034 0.000 0.450 175 L N 0.059 121.263 121.223 -0.030 0.000 2.083 175 L HA -0.288 4.038 4.340 -0.023 0.000 0.209 175 L C 2.005 178.861 176.870 -0.024 0.000 1.083 175 L CA 3.542 58.365 54.840 -0.028 0.000 0.752 175 L CB 0.081 42.119 42.059 -0.035 0.000 0.899 175 L HN 0.390 8.483 8.230 -0.038 0.114 0.433 176 L N -0.652 120.554 121.223 -0.027 0.000 2.042 176 L HA -0.371 4.093 4.340 -0.023 -0.137 0.210 176 L C 2.201 179.061 176.870 -0.017 0.000 1.076 176 L CA 2.803 57.629 54.840 -0.023 0.000 0.749 176 L CB -0.027 42.016 42.059 -0.026 0.000 0.893 176 L HN 0.049 8.055 8.230 -0.032 0.204 0.432 177 I N -4.476 116.085 120.570 -0.015 0.000 2.546 177 I HA -0.451 3.713 4.170 -0.010 0.000 0.255 177 I C 2.184 178.295 176.117 -0.011 0.000 1.163 177 I CA 2.946 64.240 61.300 -0.011 0.000 1.457 177 I CB -0.340 37.654 38.000 -0.010 0.000 1.092 177 I HN -0.222 7.893 8.210 -0.017 0.084 0.434 178 E N -0.590 119.603 120.200 -0.013 0.000 2.072 178 E HA -0.256 4.088 4.350 -0.010 0.000 0.191 178 E C 1.036 177.630 176.600 -0.010 0.000 0.985 178 E CA 2.779 59.172 56.400 -0.011 0.000 0.801 178 E CB 0.568 30.260 29.700 -0.013 0.000 0.750 178 E HN -0.368 7.832 8.360 -0.015 0.151 0.452 179 Q N -5.166 114.628 119.800 -0.011 0.000 1.958 179 Q HA 0.194 4.529 4.340 -0.008 0.000 0.154 179 Q C -0.505 175.489 176.000 -0.010 0.000 0.549 179 Q CA 0.308 56.105 55.803 -0.009 0.000 0.824 179 Q CB 3.830 32.563 28.738 -0.009 0.000 1.031 179 Q HN 0.194 8.457 8.270 -0.013 0.000 0.312 180 G N -2.018 106.775 108.800 -0.012 0.000 2.645 180 G HA2 0.366 4.371 3.960 -0.013 0.000 0.292 180 G HA3 0.366 4.320 3.960 -0.011 0.000 0.292 180 G C -0.304 174.585 174.900 -0.018 0.000 1.415 180 G CA -0.075 45.017 45.100 -0.013 0.000 0.785 180 G HN -0.545 7.737 8.290 -0.013 0.000 0.483 181 M N -1.652 117.936 119.600 -0.020 0.000 2.514 181 M HA 0.070 4.532 4.480 -0.031 0.000 0.258 181 M C 0.914 177.202 176.300 -0.020 0.000 1.119 181 M CA 2.088 57.371 55.300 -0.027 0.000 1.111 181 M CB -0.046 32.532 32.600 -0.037 0.000 1.390 181 M HN 0.188 8.467 8.290 -0.018 0.000 0.475 182 E N 1.929 122.122 120.200 -0.011 0.000 2.086 182 E HA -0.297 4.054 4.350 0.002 0.000 0.200 182 E C -0.179 176.424 176.600 0.005 0.000 1.012 182 E CA 5.141 61.540 56.400 -0.000 0.000 0.812 182 E CB -2.428 27.273 29.700 0.001 0.000 0.743 182 E HN 0.412 8.739 8.360 -0.012 0.027 0.453 183 P HA -0.034 4.388 4.420 0.002 0.000 0.219 183 P C 0.594 177.886 177.300 -0.013 0.000 1.154 183 P CA 2.020 65.118 63.100 -0.005 0.000 0.826 183 P CB -0.577 31.117 31.700 -0.009 0.000 0.795 184 A N -1.673 121.132 122.820 -0.024 0.000 1.933 184 A HA -0.367 3.917 4.320 -0.060 0.000 0.218 184 A C 2.283 179.848 177.584 -0.032 0.000 1.175 184 A CA 3.049 55.059 52.037 -0.045 0.000 0.628 184 A CB -0.617 18.352 19.000 -0.052 0.000 0.814 184 A HN -0.374 7.689 8.150 -0.023 0.074 0.444 185 Q N -1.545 118.259 119.800 0.006 0.000 2.083 185 Q HA -0.291 4.179 4.340 0.134 -0.050 0.198 185 Q C 2.184 178.261 176.000 0.129 0.000 0.969 185 Q CA 3.140 58.996 55.803 0.089 0.000 0.838 185 Q CB 0.279 29.046 28.738 0.048 0.000 0.900 185 Q HN 0.817 8.957 8.270 -0.003 0.129 0.436 186 N N -3.240 115.500 118.700 0.067 0.000 2.409 186 N HA -0.130 4.663 4.740 0.088 0.000 0.179 186 N C 1.109 176.642 175.510 0.037 0.000 1.032 186 N CA 1.849 54.936 53.050 0.061 0.000 0.898 186 N CB 0.645 39.156 38.487 0.040 0.000 0.971 186 N HN -0.400 7.927 8.380 0.040 0.077 0.441 187 R N -0.952 119.550 120.500 0.004 0.000 2.087 187 R HA 0.028 4.363 4.340 -0.007 0.000 0.213 187 R C 1.541 177.785 176.300 -0.094 0.000 1.137 187 R CA 2.066 58.148 56.100 -0.030 0.000 1.022 187 R CB 0.874 31.147 30.300 -0.045 0.000 0.920 187 R HN -0.022 8.005 8.270 -0.003 0.241 0.451 188 V N -1.607 118.208 119.914 -0.165 0.000 2.341 188 V HA -0.167 3.624 4.120 -0.549 0.000 0.240 188 V C 1.075 176.876 176.094 -0.488 0.000 1.035 188 V CA 3.548 65.587 62.300 -0.434 0.000 1.033 188 V CB 0.616 32.194 31.823 -0.408 0.000 0.678 188 V HN 0.429 8.389 8.190 -0.111 0.163 0.464 189 H N -0.073 118.859 119.070 -0.230 0.000 2.606 189 H HA -0.250 4.460 4.556 0.257 0.000 0.283 189 H C -0.364 175.127 175.328 0.272 0.000 1.084 189 H CA 0.851 56.955 56.048 0.093 0.000 1.191 189 H CB -0.479 29.333 29.762 0.082 0.000 1.289 189 H HN -0.345 7.796 8.280 0.023 0.153 0.628 190 A N -0.684 122.278 122.820 0.236 0.000 2.055 190 A HA 0.070 4.471 4.320 0.135 0.000 0.205 190 A C -0.552 177.240 177.584 0.347 0.000 1.235 190 A CA -0.333 51.828 52.037 0.207 0.000 0.822 190 A CB 0.597 19.666 19.000 0.116 0.000 0.903 190 A HN -0.782 7.259 8.150 0.109 0.175 0.473 191 W N 0.000 121.270 121.300 -0.050 0.000 2.388 191 W HA 0.000 4.638 4.660 -0.036 0.000 0.303 191 W CA 0.000 57.319 57.345 -0.043 0.000 1.226 191 W CB 0.000 29.449 29.460 -0.018 0.000 1.126 191 W HN 0.000 8.577 8.180 0.662 0.000 0.535