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 1g03_1_A DATA FIRST_RESID 1 DATA SEQUENCE PVMHPHGAPP NHRPWQMKDL QAIKQEVSQA APGSPQFMQT IRLAVQQFDP DATA SEQUENCE TAKDLQDLLQ YLCSSLVASL HHQQLDSLIS EAETRGITSY NPLAGPLRVQ DATA SEQUENCE ANNPQQQGLR REYQQLWLAA FAALPGSAKD PSWA 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 P HA 0.000 4.364 4.420 -0.093 0.000 0.216 1 P C 0.000 177.255 177.300 -0.075 0.000 1.155 1 P CA 0.000 63.054 63.100 -0.077 0.000 0.800 1 P CB 0.000 31.660 31.700 -0.067 0.000 0.726 2 V N -3.421 116.425 119.914 -0.114 0.000 2.924 2 V HA 0.358 4.441 4.120 -0.061 0.000 0.300 2 V C -2.956 173.015 176.094 -0.206 0.000 1.227 2 V CA -1.717 60.513 62.300 -0.116 0.000 0.954 2 V CB 2.845 34.604 31.823 -0.106 0.000 1.055 2 V HN 0.205 8.310 8.190 -0.142 0.000 0.429 3 M N 2.775 122.295 119.600 -0.133 0.000 2.404 3 M HA 0.391 4.794 4.480 -0.129 0.000 0.338 3 M C -1.240 175.063 176.300 0.005 0.000 1.150 3 M CA -0.452 54.793 55.300 -0.092 0.000 1.016 3 M CB 1.989 34.573 32.600 -0.028 0.000 1.672 3 M HN -0.016 8.228 8.290 -0.076 0.000 0.448 4 H N -0.596 118.446 119.070 -0.048 0.000 2.596 4 H HA 0.552 5.088 4.556 -0.034 0.000 0.240 4 H C -2.727 172.531 175.328 -0.117 0.000 1.406 4 H CA -4.531 51.481 56.048 -0.060 0.000 1.504 4 H CB -1.695 28.033 29.762 -0.057 0.000 1.688 4 H HN 0.248 8.904 8.280 0.627 0.000 0.546 5 P HA -0.011 4.338 4.420 -0.118 0.000 0.269 5 P C -1.075 176.149 177.300 -0.126 0.000 1.209 5 P CA -0.424 62.639 63.100 -0.061 0.000 0.776 5 P CB 0.451 32.168 31.700 0.028 0.000 0.876 6 H N 0.882 119.916 119.070 -0.061 0.000 3.167 6 H HA -0.280 4.228 4.556 -0.081 0.000 0.306 6 H C 1.361 176.675 175.328 -0.024 0.000 0.965 6 H CA 1.312 57.325 56.048 -0.057 0.000 1.408 6 H CB -0.003 29.730 29.762 -0.049 0.000 1.406 6 H HN 0.017 8.198 8.280 -0.165 0.000 0.576 7 G N 0.670 109.512 108.800 0.070 0.000 2.354 7 G HA2 -0.422 3.562 3.960 0.039 0.000 0.278 7 G HA3 -0.422 3.572 3.960 0.057 0.000 0.278 7 G C -1.955 172.970 174.900 0.041 0.000 0.953 7 G CA 0.190 45.321 45.100 0.051 0.000 1.346 7 G HN 0.488 8.805 8.290 0.045 0.000 0.467 8 A N 3.586 126.426 122.820 0.032 0.000 2.493 8 A HA 0.353 4.692 4.320 0.033 0.000 0.300 8 A C -3.089 174.519 177.584 0.040 0.000 1.152 8 A CA -1.142 50.915 52.037 0.034 0.000 0.643 8 A CB 1.312 20.332 19.000 0.034 0.000 1.316 8 A HN -0.062 8.104 8.150 0.028 0.000 0.469 9 P HA 0.395 4.847 4.420 0.053 0.000 0.282 9 P C -2.230 175.110 177.300 0.066 0.000 1.249 9 P CA -2.104 61.026 63.100 0.051 0.000 0.806 9 P CB -0.506 31.219 31.700 0.043 0.000 0.984 10 P HA -0.000 4.604 4.420 0.105 -0.122 0.268 10 P C -1.109 176.265 177.300 0.123 0.000 1.485 10 P CA -0.783 62.382 63.100 0.107 0.000 1.102 10 P CB -0.552 31.215 31.700 0.111 0.000 1.501 11 N N 4.655 123.385 118.700 0.050 0.000 2.549 11 N HA -0.132 4.562 4.740 -0.077 0.000 0.267 11 N C -0.783 174.680 175.510 -0.078 0.000 1.182 11 N CA -0.733 52.291 53.050 -0.043 0.000 1.019 11 N CB 0.153 38.606 38.487 -0.057 0.000 1.380 11 N HN -0.144 8.264 8.380 0.046 0.000 0.505 12 H N 1.718 120.768 119.070 -0.034 0.000 2.679 12 H HA 0.127 4.641 4.556 -0.071 0.000 0.369 12 H C -0.084 175.220 175.328 -0.039 0.000 1.178 12 H CA -1.200 54.816 56.048 -0.053 0.000 1.419 12 H CB 0.798 30.523 29.762 -0.063 0.000 1.458 12 H HN 0.008 8.305 8.280 0.062 0.021 0.605 13 R N 1.982 122.475 120.500 -0.012 0.000 2.332 13 R HA 0.376 4.657 4.340 -0.098 0.000 0.306 13 R C -1.749 174.591 176.300 0.066 0.000 1.117 13 R CA -2.489 53.591 56.100 -0.034 0.000 1.108 13 R CB -0.026 30.246 30.300 -0.046 0.000 1.126 13 R HN -0.284 8.013 8.270 0.044 0.000 0.548 14 P HA -0.031 4.462 4.420 0.121 0.000 0.214 14 P C -0.862 176.578 177.300 0.233 0.000 1.110 14 P CA -0.116 63.077 63.100 0.154 0.000 0.659 14 P CB 0.465 32.264 31.700 0.166 0.000 0.803 15 W N -1.848 119.436 121.300 -0.026 0.000 1.283 15 W HA -0.243 4.401 4.660 -0.027 0.000 0.230 15 W C -1.126 175.369 176.519 -0.040 0.000 0.951 15 W CA 1.560 58.885 57.345 -0.033 0.000 0.385 15 W CB -0.775 28.662 29.460 -0.039 0.000 1.950 15 W HN 0.133 8.406 8.180 0.156 0.000 1.334 16 Q N -6.513 113.359 119.800 0.121 0.000 2.392 16 Q HA -0.012 4.268 4.340 -0.099 0.000 0.246 16 Q C -0.743 175.251 176.000 -0.009 0.000 0.705 16 Q CA -0.618 55.191 55.803 0.009 0.000 1.040 16 Q CB -0.448 28.359 28.738 0.114 0.000 1.404 16 Q HN -0.602 7.600 8.270 0.152 0.160 0.359 17 M N 1.715 121.308 119.600 -0.011 0.000 2.700 17 M HA -0.246 4.210 4.480 -0.039 0.000 0.249 17 M C -0.043 176.226 176.300 -0.050 0.000 1.082 17 M CA 2.008 57.286 55.300 -0.037 0.000 1.077 17 M CB -0.291 32.281 32.600 -0.046 0.000 1.477 17 M HN 0.261 8.552 8.290 0.001 0.000 0.529 18 K N -4.338 116.030 120.400 -0.053 0.000 2.555 18 K HA -0.191 4.106 4.320 -0.039 0.000 0.193 18 K C 1.151 177.722 176.600 -0.048 0.000 1.032 18 K CA 1.840 58.097 56.287 -0.048 0.000 1.004 18 K CB -1.323 31.143 32.500 -0.057 0.000 0.804 18 K HN -0.051 8.064 8.250 -0.056 0.101 0.496 19 D N 0.469 120.829 120.400 -0.066 0.000 2.262 19 D HA -0.038 4.567 4.640 -0.058 0.000 0.212 19 D C 1.148 177.416 176.300 -0.053 0.000 0.964 19 D CA 1.871 55.822 54.000 -0.082 0.000 0.875 19 D CB 0.519 41.215 40.800 -0.174 0.000 0.996 19 D HN -0.519 7.692 8.370 -0.071 0.117 0.497 20 L N -1.217 119.978 121.223 -0.046 0.000 2.141 20 L HA -0.377 3.966 4.340 0.005 0.000 0.209 20 L C 2.037 178.927 176.870 0.034 0.000 1.094 20 L CA 2.239 57.079 54.840 -0.001 0.000 0.763 20 L CB -0.519 41.540 42.059 0.000 0.000 0.908 20 L HN -0.827 7.368 8.230 -0.059 0.000 0.437 21 Q N -0.908 118.901 119.800 0.015 0.000 2.084 21 Q HA -0.426 3.944 4.340 0.050 0.000 0.202 21 Q C 1.746 177.759 176.000 0.023 0.000 0.978 21 Q CA 3.174 58.993 55.803 0.026 0.000 0.844 21 Q CB -0.094 28.648 28.738 0.007 0.000 0.898 21 Q HN -0.568 7.680 8.270 -0.009 0.016 0.426 22 A N -1.585 121.242 122.820 0.011 0.000 1.997 22 A HA -0.255 4.070 4.320 0.009 0.000 0.221 22 A C 2.088 179.692 177.584 0.033 0.000 1.172 22 A CA 2.918 54.964 52.037 0.015 0.000 0.645 22 A CB -0.758 18.248 19.000 0.011 0.000 0.813 22 A HN -0.478 7.586 8.150 -0.001 0.085 0.454 23 I N -4.025 116.579 120.570 0.056 0.000 3.059 23 I HA -0.212 4.017 4.170 0.098 0.000 0.270 23 I C 0.995 177.170 176.117 0.097 0.000 1.238 23 I CA 1.083 62.446 61.300 0.106 0.000 1.478 23 I CB -0.069 38.018 38.000 0.145 0.000 1.097 23 I HN -0.606 7.486 8.210 0.049 0.147 0.455 24 K N 0.621 121.059 120.400 0.064 0.000 2.076 24 K HA -0.278 4.039 4.320 -0.006 0.000 0.204 24 K C 2.223 178.798 176.600 -0.042 0.000 1.051 24 K CA 3.252 59.550 56.287 0.019 0.000 0.949 24 K CB -0.207 32.323 32.500 0.050 0.000 0.726 24 K HN 0.104 8.156 8.250 0.058 0.232 0.443 25 Q N -1.555 118.232 119.800 -0.022 0.000 2.170 25 Q HA -0.312 4.001 4.340 -0.044 0.000 0.203 25 Q C 2.525 178.488 176.000 -0.061 0.000 0.976 25 Q CA 2.962 58.742 55.803 -0.038 0.000 0.858 25 Q CB -0.448 28.279 28.738 -0.019 0.000 0.907 25 Q HN 0.068 8.337 8.270 -0.001 0.000 0.433 26 E N -1.611 118.558 120.200 -0.052 0.000 2.152 26 E HA -0.263 4.196 4.350 -0.046 -0.136 0.192 26 E C 2.045 178.554 176.600 -0.152 0.000 0.983 26 E CA 2.430 58.795 56.400 -0.058 0.000 0.818 26 E CB -0.074 29.627 29.700 0.002 0.000 0.758 26 E HN -0.659 7.666 8.360 -0.025 0.020 0.467 27 V N -0.288 119.450 119.914 -0.295 0.000 2.594 27 V HA -0.364 3.376 4.120 -0.633 0.000 0.253 27 V C 0.951 176.841 176.094 -0.340 0.000 1.069 27 V CA 2.621 64.572 62.300 -0.582 0.000 1.082 27 V CB -0.179 31.000 31.823 -1.072 0.000 0.680 27 V HN -0.896 7.049 8.190 -0.245 0.098 0.469 28 S N -0.467 115.096 115.700 -0.229 0.000 2.404 28 S HA -0.426 3.942 4.470 -0.171 0.000 0.216 28 S C 0.951 175.479 174.600 -0.120 0.000 1.039 28 S CA 3.216 61.323 58.200 -0.155 0.000 1.062 28 S CB -0.000 63.135 63.200 -0.107 0.000 1.046 28 S HN -0.858 7.210 8.310 -0.210 0.116 0.415 29 Q N -0.781 118.967 119.800 -0.087 0.000 2.263 29 Q HA -0.362 3.952 4.340 -0.044 0.000 0.221 29 Q C 0.461 176.426 176.000 -0.058 0.000 1.071 29 Q CA 2.371 58.139 55.803 -0.058 0.000 0.966 29 Q CB 0.186 28.897 28.738 -0.045 0.000 1.094 29 Q HN -0.563 7.658 8.270 -0.082 0.000 0.454 30 A N -2.952 119.823 122.820 -0.075 0.000 2.529 30 A HA 0.136 4.433 4.320 -0.039 0.000 0.269 30 A C -1.609 175.929 177.584 -0.075 0.000 1.509 30 A CA -1.124 50.876 52.037 -0.061 0.000 0.857 30 A CB 1.457 20.427 19.000 -0.051 0.000 1.531 30 A HN -0.762 7.315 8.150 -0.100 0.013 0.541 31 A N -2.361 120.423 122.820 -0.060 0.000 2.272 31 A HA 0.190 4.473 4.320 -0.061 0.000 0.275 31 A C -2.211 175.315 177.584 -0.097 0.000 1.096 31 A CA -1.991 50.008 52.037 -0.062 0.000 0.822 31 A CB -0.745 18.233 19.000 -0.036 0.000 1.088 31 A HN 0.131 8.256 8.150 -0.043 0.000 0.495 32 P HA -0.268 4.030 4.420 -0.204 0.000 0.237 32 P C -0.530 176.697 177.300 -0.122 0.000 1.149 32 P CA 1.334 64.345 63.100 -0.150 0.000 1.254 32 P CB -1.595 30.026 31.700 -0.131 0.000 1.382 33 G N 4.616 113.327 108.800 -0.148 0.000 3.675 33 G HA2 -0.433 3.551 3.960 0.039 0.000 0.275 33 G HA3 -0.433 3.553 3.960 0.043 0.000 0.275 33 G C -1.471 173.457 174.900 0.048 0.000 1.648 33 G CA -0.273 44.828 45.100 0.002 0.000 1.093 33 G HN 0.212 8.360 8.290 -0.236 0.001 0.617 34 S N 1.860 117.581 115.700 0.036 0.000 3.795 34 S HA -0.184 4.295 4.470 0.016 0.000 0.682 34 S C -1.341 173.310 174.600 0.086 0.000 1.792 34 S CA 1.417 59.638 58.200 0.035 0.000 1.892 34 S CB -1.498 61.709 63.200 0.011 0.000 0.343 34 S HN -0.458 7.861 8.310 0.015 0.000 1.341 35 P HA -0.155 4.314 4.420 0.082 0.000 0.215 35 P C 1.428 178.814 177.300 0.144 0.000 1.157 35 P CA 2.199 65.351 63.100 0.086 0.000 0.863 35 P CB 0.221 31.951 31.700 0.050 0.000 0.787 36 Q N -3.008 116.859 119.800 0.112 0.000 2.224 36 Q HA -0.405 3.995 4.340 0.101 0.000 0.213 36 Q C 1.837 177.970 176.000 0.221 0.000 0.998 36 Q CA 3.092 58.966 55.803 0.118 0.000 0.895 36 Q CB -1.277 27.496 28.738 0.058 0.000 0.926 36 Q HN -0.418 7.897 8.270 0.075 0.000 0.417 37 F N 0.771 120.772 119.950 0.085 0.000 2.087 37 F HA -0.399 4.196 4.527 0.114 0.000 0.299 37 F C 1.784 177.706 175.800 0.203 0.000 1.100 37 F CA 2.116 60.209 58.000 0.155 0.000 1.226 37 F CB -0.319 38.803 39.000 0.203 0.000 0.983 37 F HN -0.794 7.664 8.300 0.304 0.024 0.479 38 M N -1.366 118.503 119.600 0.448 0.000 2.149 38 M HA -0.472 4.159 4.480 0.252 0.000 0.261 38 M C 1.801 178.211 176.300 0.183 0.000 1.064 38 M CA 3.546 59.013 55.300 0.278 0.000 1.102 38 M CB -1.049 31.681 32.600 0.218 0.000 1.369 38 M HN 0.274 8.728 8.290 0.424 0.090 0.408 39 Q N -1.865 118.040 119.800 0.175 0.000 2.062 39 Q HA -0.332 4.066 4.340 0.098 0.000 0.209 39 Q C 2.538 178.611 176.000 0.121 0.000 0.996 39 Q CA 3.698 59.574 55.803 0.122 0.000 0.859 39 Q CB -0.913 27.887 28.738 0.104 0.000 0.920 39 Q HN -0.395 7.870 8.270 0.195 0.123 0.415 40 T N -0.405 114.244 114.554 0.158 0.000 2.937 40 T HA -0.146 4.269 4.350 0.108 0.000 0.260 40 T C 1.915 176.690 174.700 0.125 0.000 1.051 40 T CA 3.204 65.388 62.100 0.140 0.000 1.141 40 T CB -0.275 68.684 68.868 0.152 0.000 0.879 40 T HN -0.663 7.701 8.240 0.206 0.000 0.459 41 I N 0.647 121.292 120.570 0.125 0.000 2.916 41 I HA -0.332 3.827 4.170 -0.018 0.000 0.267 41 I C 1.414 177.526 176.117 -0.009 0.000 1.263 41 I CA 2.418 63.696 61.300 -0.036 0.000 1.471 41 I CB -1.059 36.714 38.000 -0.378 0.000 1.089 41 I HN 0.241 8.580 8.210 0.216 0.000 0.468 42 R N 2.068 122.597 120.500 0.050 0.000 2.055 42 R HA -0.269 4.105 4.340 0.058 0.000 0.228 42 R C 2.001 178.340 176.300 0.064 0.000 1.143 42 R CA 4.123 60.259 56.100 0.060 0.000 0.945 42 R CB 0.081 30.422 30.300 0.069 0.000 0.841 42 R HN 0.444 8.587 8.270 0.081 0.175 0.429 43 L N -3.465 117.801 121.223 0.073 0.000 2.362 43 L HA -0.155 4.222 4.340 0.062 0.000 0.219 43 L C 2.120 179.062 176.870 0.119 0.000 1.134 43 L CA 2.434 57.322 54.840 0.080 0.000 0.807 43 L CB -0.434 41.673 42.059 0.080 0.000 0.927 43 L HN -0.620 7.656 8.230 0.077 0.000 0.447 44 A N -1.172 121.720 122.820 0.119 0.000 1.924 44 A HA -0.102 4.392 4.320 0.289 0.000 0.211 44 A C 1.358 179.032 177.584 0.150 0.000 1.198 44 A CA 2.578 54.715 52.037 0.167 0.000 0.657 44 A CB -0.123 18.931 19.000 0.090 0.000 0.852 44 A HN -0.333 7.725 8.150 0.088 0.145 0.454 45 V N -1.710 118.248 119.914 0.073 0.000 2.951 45 V HA -0.429 3.714 4.120 0.038 0.000 0.255 45 V C 1.375 177.503 176.094 0.057 0.000 1.088 45 V CA 3.262 65.589 62.300 0.045 0.000 1.109 45 V CB 0.268 32.102 31.823 0.020 0.000 0.724 45 V HN -0.269 7.843 8.190 0.052 0.109 0.471 46 Q N -1.143 118.694 119.800 0.061 0.000 2.269 46 Q HA -0.153 4.209 4.340 0.037 0.000 0.201 46 Q C 1.116 177.120 176.000 0.007 0.000 0.946 46 Q CA 1.946 57.772 55.803 0.038 0.000 0.877 46 Q CB 0.126 28.887 28.738 0.038 0.000 0.963 46 Q HN 0.225 8.408 8.270 0.069 0.128 0.472 47 Q N -1.938 117.871 119.800 0.015 0.000 2.063 47 Q HA -0.134 4.115 4.340 -0.150 0.000 0.194 47 Q C 1.540 177.399 176.000 -0.234 0.000 0.974 47 Q CA 1.902 57.626 55.803 -0.131 0.000 0.827 47 Q CB 0.648 29.297 28.738 -0.147 0.000 0.902 47 Q HN -0.519 7.798 8.270 0.079 0.000 0.462 48 F N -3.132 116.813 119.950 -0.009 0.000 2.797 48 F HA -0.026 4.492 4.527 -0.014 0.000 0.302 48 F C -1.183 174.597 175.800 -0.032 0.000 1.130 48 F CA 0.514 58.504 58.000 -0.017 0.000 1.387 48 F CB -0.031 38.961 39.000 -0.013 0.000 1.107 48 F HN -0.733 7.787 8.300 0.367 0.000 0.577 49 D N -3.501 116.957 120.400 0.097 0.000 2.956 49 D HA -0.292 4.527 4.640 0.011 -0.172 0.206 49 D C -1.866 174.441 176.300 0.011 0.000 1.269 49 D CA 0.259 54.276 54.000 0.028 0.000 0.694 49 D CB -1.322 39.479 40.800 0.002 0.000 0.910 49 D HN -0.589 7.764 8.370 0.085 0.068 0.389 50 P HA -0.092 4.327 4.420 -0.001 0.000 0.269 50 P C 0.129 177.375 177.300 -0.090 0.000 1.217 50 P CA -0.320 62.761 63.100 -0.033 0.000 0.783 50 P CB 0.705 32.372 31.700 -0.056 0.000 0.898 51 T N -2.779 111.720 114.554 -0.091 0.000 2.766 51 T HA -0.067 4.212 4.350 -0.119 0.000 0.295 51 T C 1.272 175.875 174.700 -0.162 0.000 1.024 51 T CA -1.230 60.800 62.100 -0.117 0.000 1.018 51 T CB 0.459 69.271 68.868 -0.093 0.000 1.002 51 T HN -0.103 8.093 8.240 -0.073 0.000 0.532 52 A N 0.288 122.998 122.820 -0.182 0.000 2.084 52 A HA -0.380 3.772 4.320 -0.280 0.000 0.221 52 A C 1.511 179.006 177.584 -0.148 0.000 1.161 52 A CA 2.976 54.891 52.037 -0.203 0.000 0.653 52 A CB -0.362 18.532 19.000 -0.177 0.000 0.802 52 A HN 0.709 8.758 8.150 -0.169 0.000 0.457 53 K N -2.101 118.216 120.400 -0.138 0.000 2.000 53 K HA -0.410 3.775 4.320 -0.224 0.000 0.218 53 K C 2.492 179.000 176.600 -0.155 0.000 1.053 53 K CA 3.477 59.660 56.287 -0.173 0.000 0.946 53 K CB -0.641 31.764 32.500 -0.158 0.000 0.723 53 K HN -0.651 7.466 8.250 -0.128 0.055 0.446 54 D N -0.241 120.082 120.400 -0.127 0.000 2.154 54 D HA -0.286 4.306 4.640 -0.079 0.000 0.190 54 D C 1.916 178.173 176.300 -0.071 0.000 1.003 54 D CA 2.894 56.837 54.000 -0.095 0.000 0.849 54 D CB -0.424 40.317 40.800 -0.097 0.000 0.942 54 D HN -0.607 7.688 8.370 -0.125 0.000 0.446 55 L N -3.247 117.908 121.223 -0.114 0.000 2.197 55 L HA -0.523 3.822 4.340 0.009 0.000 0.215 55 L C 2.474 179.386 176.870 0.070 0.000 1.095 55 L CA 2.687 57.498 54.840 -0.048 0.000 0.764 55 L CB -0.868 41.068 42.059 -0.205 0.000 0.897 55 L HN -0.582 7.543 8.230 -0.174 0.000 0.436 56 Q N -1.699 118.106 119.800 0.008 0.000 2.020 56 Q HA -0.278 4.120 4.340 0.097 0.000 0.198 56 Q C 2.352 178.386 176.000 0.057 0.000 0.974 56 Q CA 2.888 58.713 55.803 0.036 0.000 0.829 56 Q CB -0.543 28.149 28.738 -0.077 0.000 0.894 56 Q HN 0.491 8.548 8.270 -0.058 0.179 0.433 57 D N -1.696 118.714 120.400 0.017 0.000 2.350 57 D HA -0.083 4.616 4.640 0.099 0.000 0.213 57 D C 1.618 177.984 176.300 0.109 0.000 1.031 57 D CA 1.249 55.283 54.000 0.058 0.000 0.861 57 D CB 0.077 40.873 40.800 -0.007 0.000 0.926 57 D HN -0.692 7.655 8.370 -0.038 0.000 0.520 58 L N -1.265 120.015 121.223 0.094 0.000 2.354 58 L HA 0.008 4.433 4.340 0.141 0.000 0.212 58 L C 0.239 177.219 176.870 0.183 0.000 1.091 58 L CA 1.928 56.841 54.840 0.123 0.000 0.828 58 L CB 0.514 42.608 42.059 0.059 0.000 0.973 58 L HN 0.593 8.613 8.230 0.064 0.248 0.461 59 L N -4.378 116.966 121.223 0.202 0.000 2.416 59 L HA 0.060 4.534 4.340 0.224 0.000 0.216 59 L C 0.629 177.609 176.870 0.184 0.000 1.098 59 L CA 1.077 56.055 54.840 0.229 0.000 0.840 59 L CB 0.662 42.918 42.059 0.329 0.000 0.981 59 L HN -0.710 7.531 8.230 0.178 0.096 0.462 60 Q N -4.322 115.584 119.800 0.176 0.000 2.376 60 Q HA -0.113 4.305 4.340 0.131 0.000 0.206 60 Q C 1.590 177.695 176.000 0.174 0.000 0.921 60 Q CA 1.962 57.858 55.803 0.155 0.000 0.911 60 Q CB 0.731 29.555 28.738 0.143 0.000 1.032 60 Q HN -0.596 7.779 8.270 0.175 0.000 0.510 61 Y N -1.165 119.182 120.300 0.078 0.000 2.506 61 Y HA -0.136 4.453 4.550 0.066 0.000 0.287 61 Y C 0.396 176.349 175.900 0.089 0.000 1.147 61 Y CA 1.833 59.974 58.100 0.068 0.000 1.241 61 Y CB 1.095 39.579 38.460 0.040 0.000 1.279 61 Y HN -0.811 7.638 8.280 0.282 0.000 0.527 62 L N -1.573 119.828 121.223 0.295 0.000 2.156 62 L HA -0.202 4.285 4.340 0.245 0.000 0.208 62 L C -0.151 176.832 176.870 0.187 0.000 1.095 62 L CA 2.011 57.003 54.840 0.255 0.000 0.770 62 L CB 0.620 42.855 42.059 0.293 0.000 0.914 62 L HN -0.452 7.978 8.230 0.333 0.000 0.439 63 C N -3.557 115.837 119.300 0.157 0.000 2.511 63 C HA 0.206 4.736 4.460 0.117 0.000 0.221 63 C C -1.760 173.286 174.990 0.093 0.000 2.963 63 C CA -1.297 57.791 59.018 0.116 0.000 1.934 63 C CB 2.972 30.772 27.740 0.099 0.000 2.827 63 C HN -0.555 7.760 8.230 0.169 0.016 0.360 64 S N -2.510 113.258 115.700 0.112 0.000 2.636 64 S HA 0.278 4.810 4.470 0.102 0.000 0.268 64 S C 0.590 175.259 174.600 0.116 0.000 1.159 64 S CA -0.779 57.499 58.200 0.130 0.000 0.815 64 S CB 2.081 65.417 63.200 0.225 0.000 1.130 64 S HN -0.455 7.917 8.310 0.103 0.000 0.471 65 S N 3.192 118.950 115.700 0.097 0.000 2.414 65 S HA -0.381 4.130 4.470 0.070 0.000 0.238 65 S C 1.861 176.508 174.600 0.079 0.000 1.055 65 S CA 3.290 61.534 58.200 0.074 0.000 1.174 65 S CB -0.484 62.747 63.200 0.051 0.000 1.087 65 S HN 0.557 8.923 8.310 0.093 0.000 0.428 66 L N 0.728 122.000 121.223 0.083 0.000 1.933 66 L HA -0.281 4.094 4.340 0.059 0.000 0.220 66 L C 2.678 179.602 176.870 0.089 0.000 1.078 66 L CA 2.892 57.779 54.840 0.078 0.000 0.773 66 L CB -1.373 40.737 42.059 0.085 0.000 0.890 66 L HN 0.233 8.514 8.230 0.084 0.000 0.434 67 V N -0.644 119.330 119.914 0.100 0.000 2.242 67 V HA -0.639 3.512 4.120 0.051 0.000 0.257 67 V C 1.589 177.744 176.094 0.102 0.000 1.073 67 V CA 3.493 65.833 62.300 0.068 0.000 1.058 67 V CB -0.560 31.282 31.823 0.033 0.000 0.664 67 V HN -0.330 7.939 8.190 0.131 0.000 0.451 68 A N -2.843 120.048 122.820 0.118 0.000 1.948 68 A HA -0.397 4.097 4.320 0.290 0.000 0.220 68 A C 2.341 180.054 177.584 0.215 0.000 1.177 68 A CA 3.021 55.181 52.037 0.204 0.000 0.636 68 A CB -1.024 18.061 19.000 0.142 0.000 0.815 68 A HN -0.166 8.045 8.150 0.102 0.000 0.449 69 S N -0.645 115.130 115.700 0.125 0.000 2.378 69 S HA -0.258 4.257 4.470 0.074 0.000 0.221 69 S C 2.257 176.924 174.600 0.113 0.000 1.037 69 S CA 3.430 61.687 58.200 0.094 0.000 1.069 69 S CB -0.267 62.971 63.200 0.063 0.000 1.006 69 S HN -0.087 8.152 8.310 0.105 0.133 0.423 70 L N -0.487 120.791 121.223 0.091 0.000 2.270 70 L HA -0.079 4.290 4.340 0.048 0.000 0.210 70 L C 1.467 178.363 176.870 0.043 0.000 1.104 70 L CA 1.910 56.781 54.840 0.053 0.000 0.804 70 L CB -0.318 41.751 42.059 0.017 0.000 0.937 70 L HN -0.683 7.596 8.230 0.081 0.000 0.450 71 H N 1.960 121.014 119.070 -0.027 0.000 2.321 71 H HA -0.491 4.035 4.556 -0.204 -0.093 0.295 71 H C 2.033 177.262 175.328 -0.165 0.000 1.102 71 H CA 4.340 60.298 56.048 -0.150 0.000 1.266 71 H CB 0.183 29.832 29.762 -0.187 0.000 1.363 71 H HN 0.553 8.830 8.280 0.175 0.107 0.492 72 H N -1.754 117.317 119.070 0.002 0.000 2.395 72 H HA -0.197 4.281 4.556 -0.130 0.000 0.299 72 H C 2.462 177.749 175.328 -0.068 0.000 1.070 72 H CA 3.710 59.753 56.048 -0.007 0.000 1.356 72 H CB 0.303 30.165 29.762 0.166 0.000 1.401 72 H HN -0.732 7.835 8.280 0.479 0.001 0.524 73 Q N -1.267 118.577 119.800 0.074 0.000 2.118 73 Q HA -0.481 3.885 4.340 0.044 0.000 0.211 73 Q C 2.283 178.252 176.000 -0.052 0.000 0.998 73 Q CA 3.601 59.413 55.803 0.015 0.000 0.872 73 Q CB -0.916 27.824 28.738 0.004 0.000 0.925 73 Q HN -0.534 7.721 8.270 0.118 0.086 0.414 74 Q N -1.273 118.444 119.800 -0.139 0.000 1.935 74 Q HA -0.449 3.813 4.340 -0.130 0.000 0.212 74 Q C 2.335 178.241 176.000 -0.158 0.000 1.008 74 Q CA 3.017 58.711 55.803 -0.181 0.000 0.868 74 Q CB -0.297 28.257 28.738 -0.306 0.000 0.946 74 Q HN -0.635 7.543 8.270 -0.166 -0.008 0.418 75 L N -0.646 120.438 121.223 -0.231 0.000 1.997 75 L HA -0.607 3.645 4.340 -0.147 0.000 0.227 75 L C 1.505 178.365 176.870 -0.016 0.000 1.087 75 L CA 3.024 57.783 54.840 -0.134 0.000 0.797 75 L CB -0.228 41.758 42.059 -0.123 0.000 0.902 75 L HN -0.657 7.342 8.230 -0.385 0.000 0.441 76 D N -1.924 118.498 120.400 0.037 0.000 2.549 76 D HA -0.505 4.191 4.640 0.094 0.000 0.199 76 D C 2.617 178.933 176.300 0.026 0.000 1.034 76 D CA 3.379 57.414 54.000 0.058 0.000 0.880 76 D CB -0.136 40.694 40.800 0.050 0.000 1.044 76 D HN 0.525 8.804 8.370 0.050 0.120 0.469 77 S N -0.664 115.037 115.700 0.001 0.000 2.406 77 S HA -0.147 4.322 4.470 -0.001 0.000 0.228 77 S C 2.438 177.029 174.600 -0.016 0.000 1.020 77 S CA 2.921 61.117 58.200 -0.008 0.000 0.965 77 S CB 0.169 63.359 63.200 -0.017 0.000 0.798 77 S HN -0.736 7.569 8.310 -0.007 0.000 0.488 78 L N 3.917 125.120 121.223 -0.033 0.000 2.021 78 L HA -0.375 3.940 4.340 -0.042 0.000 0.215 78 L C 2.050 178.912 176.870 -0.014 0.000 1.074 78 L CA 3.491 58.306 54.840 -0.042 0.000 0.760 78 L CB -0.062 41.946 42.059 -0.084 0.000 0.889 78 L HN 0.568 8.590 8.230 -0.045 0.181 0.433 79 I N -1.587 118.986 120.570 0.007 0.000 2.118 79 I HA -0.630 3.565 4.170 0.042 0.000 0.241 79 I C 1.463 177.591 176.117 0.018 0.000 1.070 79 I CA 3.386 64.707 61.300 0.034 0.000 1.327 79 I CB -0.436 37.606 38.000 0.070 0.000 1.034 79 I HN 0.441 8.656 8.210 0.008 0.000 0.405 80 S N -0.628 115.076 115.700 0.006 0.000 2.372 80 S HA -0.446 4.011 4.470 -0.020 0.000 0.227 80 S C 2.862 177.459 174.600 -0.005 0.000 1.044 80 S CA 3.824 62.019 58.200 -0.008 0.000 1.050 80 S CB -0.564 62.630 63.200 -0.010 0.000 0.901 80 S HN -0.624 7.633 8.310 0.010 0.059 0.447 81 E N 0.322 120.521 120.200 -0.002 0.000 2.250 81 E HA -0.117 4.235 4.350 0.004 0.000 0.192 81 E C 2.201 178.808 176.600 0.012 0.000 0.986 81 E CA 1.926 58.328 56.400 0.002 0.000 0.849 81 E CB 0.058 29.755 29.700 -0.005 0.000 0.797 81 E HN -0.112 8.175 8.360 -0.006 0.070 0.482 82 A N -0.078 122.750 122.820 0.014 0.000 1.933 82 A HA -0.250 4.080 4.320 0.016 0.000 0.218 82 A C 2.072 179.684 177.584 0.047 0.000 1.175 82 A CA 3.250 55.302 52.037 0.025 0.000 0.628 82 A CB -0.460 18.555 19.000 0.025 0.000 0.814 82 A HN 0.771 8.707 8.150 0.008 0.218 0.444 83 E N -3.548 116.686 120.200 0.057 0.000 2.230 83 E HA -0.152 4.267 4.350 0.114 0.000 0.192 83 E C 2.303 178.965 176.600 0.103 0.000 0.987 83 E CA 2.079 58.537 56.400 0.098 0.000 0.841 83 E CB -0.641 29.119 29.700 0.099 0.000 0.783 83 E HN -0.041 8.333 8.360 0.041 0.011 0.481 84 T N 1.553 116.141 114.554 0.058 0.000 2.684 84 T HA -0.375 4.018 4.350 0.073 0.000 0.267 84 T C 1.263 176.000 174.700 0.061 0.000 1.036 84 T CA 3.353 65.487 62.100 0.056 0.000 1.148 84 T CB -0.044 68.840 68.868 0.026 0.000 0.863 84 T HN -0.694 7.477 8.240 0.036 0.091 0.436 85 R N -0.084 120.444 120.500 0.046 0.000 2.159 85 R HA -0.252 4.106 4.340 0.030 0.000 0.252 85 R C 0.369 176.696 176.300 0.045 0.000 1.144 85 R CA 1.780 57.903 56.100 0.038 0.000 0.961 85 R CB 0.375 30.694 30.300 0.031 0.000 0.877 85 R HN -0.516 7.777 8.270 0.039 0.000 0.444 86 G N -3.180 105.657 108.800 0.061 0.000 2.511 86 G HA2 -0.180 3.823 3.960 0.071 0.000 0.205 86 G HA3 -0.180 3.804 3.960 0.039 0.000 0.205 86 G C -0.765 174.163 174.900 0.048 0.000 1.098 86 G CA -0.920 44.213 45.100 0.055 0.000 0.812 86 G HN -0.652 7.593 8.290 0.072 0.088 0.497 87 I N 0.110 120.721 120.570 0.067 0.000 2.113 87 I HA -0.299 3.898 4.170 0.046 0.000 0.238 87 I C -0.407 175.731 176.117 0.036 0.000 1.070 87 I CA 2.596 63.930 61.300 0.057 0.000 1.332 87 I CB 0.719 38.768 38.000 0.082 0.000 1.044 87 I HN -0.531 7.735 8.210 0.094 0.000 0.402 88 T N -2.856 111.715 114.554 0.029 0.000 4.843 88 T HA 0.099 4.431 4.350 -0.029 0.000 0.225 88 T C -1.121 173.510 174.700 -0.114 0.000 0.923 88 T CA 0.219 62.304 62.100 -0.024 0.000 1.212 88 T CB 0.207 69.069 68.868 -0.011 0.000 0.775 88 T HN -0.104 8.175 8.240 0.064 0.000 0.499 89 S N -0.642 114.962 115.700 -0.160 0.000 3.270 89 S HA -0.498 3.691 4.470 -0.470 0.000 0.330 89 S C -1.224 172.685 174.600 -1.152 0.000 1.222 89 S CA 1.924 59.797 58.200 -0.545 0.000 0.971 89 S CB -0.662 62.275 63.200 -0.438 0.000 1.007 89 S HN 0.278 8.552 8.310 -0.060 0.000 0.614 90 Y N -8.337 111.975 120.300 0.020 0.000 2.542 90 Y HA -0.298 4.269 4.550 0.028 0.000 0.040 90 Y C -2.133 173.780 175.900 0.021 0.000 1.731 90 Y CA 0.117 58.232 58.100 0.024 0.000 1.392 90 Y CB -0.829 37.647 38.460 0.027 0.000 2.039 90 Y HN -0.537 7.679 8.280 0.003 0.066 0.260 91 N N 2.054 120.827 118.700 0.122 0.000 2.765 91 N HA 0.193 4.971 4.740 0.062 0.000 0.256 91 N C -1.123 174.439 175.510 0.087 0.000 0.985 91 N CA 0.375 53.466 53.050 0.068 0.000 0.980 91 N CB 0.568 39.060 38.487 0.008 0.000 1.701 91 N HN 0.033 8.496 8.380 0.140 0.000 0.683 92 P HA 0.276 4.726 4.420 0.050 0.000 0.232 92 P C 0.822 178.164 177.300 0.070 0.000 1.170 92 P CA 0.877 64.013 63.100 0.059 0.000 0.824 92 P CB 0.153 31.878 31.700 0.042 0.000 0.896 93 L N -0.617 120.663 121.223 0.095 0.000 1.978 93 L HA -0.378 4.130 4.340 0.083 -0.118 0.218 93 L C 1.340 178.255 176.870 0.075 0.000 1.075 93 L CA 2.605 57.501 54.840 0.093 0.000 0.767 93 L CB -1.143 40.985 42.059 0.115 0.000 0.890 93 L HN -0.369 7.928 8.230 0.112 0.000 0.434 94 A N -2.527 120.344 122.820 0.084 0.000 1.885 94 A HA -0.316 4.031 4.320 0.045 0.000 0.260 94 A C 0.929 178.540 177.584 0.045 0.000 2.398 94 A CA 1.741 53.816 52.037 0.062 0.000 0.786 94 A CB -0.726 18.323 19.000 0.080 0.000 0.834 94 A HN -0.217 8.004 8.150 0.117 0.000 0.548 95 G N -1.616 107.210 108.800 0.044 0.000 2.529 95 G HA2 0.096 4.073 3.960 0.030 0.000 0.277 95 G HA3 0.096 4.072 3.960 0.028 0.000 0.277 95 G C -2.279 172.642 174.900 0.035 0.000 1.383 95 G CA -1.266 43.854 45.100 0.033 0.000 1.050 95 G HN -0.541 7.765 8.290 0.049 0.013 0.526 96 P HA 0.018 4.466 4.420 0.046 0.000 0.275 96 P C 0.172 177.489 177.300 0.029 0.000 1.270 96 P CA -0.985 62.137 63.100 0.036 0.000 0.791 96 P CB 1.047 32.765 31.700 0.030 0.000 1.089 97 L N -0.744 120.502 121.223 0.038 0.000 2.071 97 L HA -0.216 4.130 4.340 0.010 0.000 0.201 97 L C 2.008 178.788 176.870 -0.149 0.000 1.076 97 L CA 3.462 58.294 54.840 -0.013 0.000 0.755 97 L CB -0.327 41.788 42.059 0.092 0.000 0.915 97 L HN 0.230 8.499 8.230 0.065 0.000 0.445 98 R N -0.541 119.880 120.500 -0.130 0.000 2.228 98 R HA -0.376 3.808 4.340 -0.260 0.000 0.259 98 R C 1.920 178.147 176.300 -0.122 0.000 1.183 98 R CA 2.882 58.889 56.100 -0.156 0.000 1.002 98 R CB -0.952 29.314 30.300 -0.056 0.000 0.879 98 R HN 0.005 8.244 8.270 -0.052 0.000 0.467 99 V N -2.979 116.891 119.914 -0.074 0.000 2.283 99 V HA -0.280 3.816 4.120 -0.040 0.000 0.243 99 V C 1.036 177.095 176.094 -0.057 0.000 1.039 99 V CA 3.115 65.388 62.300 -0.046 0.000 1.016 99 V CB -0.622 31.192 31.823 -0.014 0.000 0.650 99 V HN -0.033 8.056 8.190 -0.056 0.067 0.449 100 Q N -2.470 117.293 119.800 -0.061 0.000 2.030 100 Q HA -0.274 4.055 4.340 -0.019 0.000 0.204 100 Q C 2.420 178.376 176.000 -0.073 0.000 0.986 100 Q CA 2.145 57.922 55.803 -0.044 0.000 0.843 100 Q CB -0.478 28.252 28.738 -0.013 0.000 0.904 100 Q HN -0.263 7.896 8.270 -0.059 0.075 0.420 101 A N -1.524 121.207 122.820 -0.149 0.000 1.898 101 A HA -0.124 4.146 4.320 -0.083 0.000 0.214 101 A C 1.739 179.256 177.584 -0.112 0.000 1.183 101 A CA 1.665 53.617 52.037 -0.141 0.000 0.622 101 A CB -0.275 18.579 19.000 -0.243 0.000 0.824 101 A HN -0.626 7.388 8.150 -0.227 0.000 0.444 102 N N -1.041 117.588 118.700 -0.118 0.000 2.581 102 N HA -0.188 4.503 4.740 -0.080 0.000 0.230 102 N C -1.449 174.030 175.510 -0.053 0.000 1.310 102 N CA 0.462 53.464 53.050 -0.081 0.000 0.886 102 N CB -0.918 37.526 38.487 -0.071 0.000 1.205 102 N HN -0.208 7.979 8.380 -0.146 0.106 0.488 103 N N 0.684 119.355 118.700 -0.048 0.000 2.573 103 N HA 0.369 5.094 4.740 -0.026 0.000 0.262 103 N C -2.361 173.133 175.510 -0.026 0.000 1.029 103 N CA -2.959 50.073 53.050 -0.030 0.000 0.882 103 N CB 1.535 40.007 38.487 -0.024 0.000 1.204 103 N HN -0.059 8.123 8.380 -0.057 0.164 0.519 104 P HA -0.127 4.279 4.420 -0.023 0.000 0.221 104 P C -0.092 177.199 177.300 -0.016 0.000 1.145 104 P CA 1.656 64.743 63.100 -0.022 0.000 0.795 104 P CB 0.557 32.244 31.700 -0.021 0.000 0.775 105 Q N -3.530 116.262 119.800 -0.013 0.000 1.961 105 Q HA -0.122 4.213 4.340 -0.009 0.000 0.197 105 Q C 1.010 177.006 176.000 -0.007 0.000 0.977 105 Q CA 1.447 57.245 55.803 -0.009 0.000 0.830 105 Q CB 0.285 29.019 28.738 -0.007 0.000 0.896 105 Q HN -0.254 7.968 8.270 -0.014 0.039 0.437 106 Q N -0.612 119.185 119.800 -0.005 0.000 2.678 106 Q HA -0.004 4.337 4.340 0.002 0.000 0.222 106 Q C -0.202 175.798 176.000 -0.001 0.000 1.281 106 Q CA -0.632 55.171 55.803 0.000 0.000 0.994 106 Q CB -1.671 27.070 28.738 0.005 0.000 1.452 106 Q HN 0.193 8.963 8.270 -0.007 -0.504 0.570 107 Q N 1.815 121.615 119.800 -0.001 0.000 2.392 107 Q HA 0.049 4.384 4.340 -0.008 0.000 0.203 107 Q C 1.639 177.647 176.000 0.013 0.000 0.917 107 Q CA 1.042 56.844 55.803 -0.002 0.000 0.939 107 Q CB 0.360 29.094 28.738 -0.006 0.000 1.063 107 Q HN -0.507 7.762 8.270 -0.002 0.000 0.516 108 G N 2.724 111.534 108.800 0.017 0.000 2.491 108 G HA2 -0.309 3.666 3.960 0.025 0.000 0.218 108 G HA3 -0.309 3.668 3.960 0.028 0.000 0.218 108 G C 0.524 175.453 174.900 0.049 0.000 1.180 108 G CA 2.016 47.133 45.100 0.029 0.000 0.774 108 G HN 0.571 8.819 8.290 0.013 0.049 0.562 109 L N 0.003 121.259 121.223 0.055 0.000 2.700 109 L HA -0.074 4.335 4.340 0.116 0.000 0.240 109 L C 1.736 178.671 176.870 0.109 0.000 1.162 109 L CA 1.090 55.986 54.840 0.093 0.000 0.874 109 L CB -1.671 40.439 42.059 0.085 0.000 1.001 109 L HN -0.281 7.974 8.230 0.042 0.000 0.447 110 R N 0.287 120.826 120.500 0.065 0.000 2.128 110 R HA -0.063 4.315 4.340 0.063 0.000 0.211 110 R C 1.661 178.013 176.300 0.086 0.000 1.067 110 R CA 2.781 58.914 56.100 0.056 0.000 1.010 110 R CB 0.546 30.849 30.300 0.004 0.000 0.922 110 R HN 0.642 8.673 8.270 0.047 0.268 0.457 111 R N -2.432 118.108 120.500 0.067 0.000 2.161 111 R HA -0.071 4.304 4.340 0.059 0.000 0.213 111 R C 2.067 178.415 176.300 0.081 0.000 1.055 111 R CA 2.468 58.605 56.100 0.061 0.000 0.996 111 R CB -0.367 29.955 30.300 0.037 0.000 0.901 111 R HN -0.429 7.781 8.270 0.055 0.093 0.456 112 E N 0.044 120.302 120.200 0.097 0.000 2.042 112 E HA -0.221 4.171 4.350 0.070 0.000 0.189 112 E C 1.461 178.140 176.600 0.132 0.000 0.974 112 E CA 2.230 58.689 56.400 0.097 0.000 0.806 112 E CB -0.246 29.511 29.700 0.093 0.000 0.769 112 E HN -0.121 8.278 8.360 0.096 0.018 0.451 113 Y N 0.054 120.391 120.300 0.061 0.000 2.384 113 Y HA -0.328 4.289 4.550 0.111 0.000 0.289 113 Y C 1.754 177.734 175.900 0.133 0.000 1.152 113 Y CA 3.057 61.212 58.100 0.093 0.000 1.258 113 Y CB 0.259 38.756 38.460 0.063 0.000 0.979 113 Y HN -0.622 7.695 8.280 0.268 0.124 0.549 114 Q N -2.240 117.697 119.800 0.229 0.000 2.212 114 Q HA -0.310 4.179 4.340 0.248 0.000 0.199 114 Q C 2.074 178.156 176.000 0.137 0.000 0.950 114 Q CA 2.960 58.876 55.803 0.189 0.000 0.863 114 Q CB -0.540 28.276 28.738 0.129 0.000 0.944 114 Q HN -0.365 7.892 8.270 0.215 0.142 0.465 115 Q N 0.694 120.543 119.800 0.082 0.000 2.167 115 Q HA -0.181 4.194 4.340 0.059 0.000 0.202 115 Q C 2.663 178.671 176.000 0.013 0.000 0.970 115 Q CA 2.613 58.446 55.803 0.050 0.000 0.855 115 Q CB -0.278 28.482 28.738 0.037 0.000 0.911 115 Q HN -0.367 7.846 8.270 0.086 0.109 0.438 116 L N -2.555 118.650 121.223 -0.031 0.000 2.446 116 L HA -0.056 4.233 4.340 -0.084 0.000 0.219 116 L C 1.549 178.331 176.870 -0.147 0.000 1.116 116 L CA 1.639 56.416 54.840 -0.105 0.000 0.844 116 L CB -0.514 41.459 42.059 -0.145 0.000 0.970 116 L HN -0.239 7.957 8.230 -0.028 0.017 0.457 117 W N 0.779 121.891 121.300 -0.313 0.000 2.379 117 W HA -0.300 4.167 4.660 -0.322 0.000 0.307 117 W C 1.523 178.023 176.519 -0.031 0.000 1.200 117 W CA 3.474 60.675 57.345 -0.239 0.000 1.297 117 W CB 0.384 29.741 29.460 -0.171 0.000 1.140 117 W HN -0.521 7.521 8.180 0.030 0.157 0.507 118 L N -3.235 118.038 121.223 0.083 0.000 2.217 118 L HA -0.258 4.123 4.340 0.068 0.000 0.211 118 L C 1.422 178.284 176.870 -0.014 0.000 1.107 118 L CA 2.019 56.891 54.840 0.053 0.000 0.783 118 L CB -0.619 41.498 42.059 0.097 0.000 0.919 118 L HN -0.307 8.026 8.230 0.171 0.000 0.442 119 A N -1.966 120.816 122.820 -0.063 0.000 2.067 119 A HA -0.213 4.074 4.320 -0.055 0.000 0.219 119 A C 0.868 178.346 177.584 -0.176 0.000 1.158 119 A CA 2.640 54.623 52.037 -0.091 0.000 0.661 119 A CB -0.925 18.023 19.000 -0.086 0.000 0.801 119 A HN -0.379 7.622 8.150 -0.052 0.118 0.452 120 A N -4.591 118.050 122.820 -0.299 0.000 2.267 120 A HA 0.135 4.267 4.320 -0.422 -0.065 0.213 120 A C -0.141 177.177 177.584 -0.442 0.000 1.192 120 A CA 0.805 52.525 52.037 -0.529 0.000 0.851 120 A CB 0.252 18.672 19.000 -0.967 0.000 0.881 120 A HN -0.517 7.287 8.150 -0.292 0.171 0.494 121 F N -2.407 117.337 119.950 -0.342 0.000 2.720 121 F HA -0.024 4.434 4.527 -0.115 0.000 0.301 121 F C -0.592 175.126 175.800 -0.136 0.000 1.103 121 F CA 0.954 58.827 58.000 -0.211 0.000 1.291 121 F CB 2.504 41.334 39.000 -0.283 0.000 1.086 121 F HN -0.433 7.654 8.300 -0.090 0.159 0.592 122 A N -2.889 119.942 122.820 0.019 0.000 2.197 122 A HA 0.185 4.539 4.320 0.056 0.000 0.210 122 A C -0.074 177.486 177.584 -0.040 0.000 1.180 122 A CA 0.453 52.503 52.037 0.022 0.000 0.846 122 A CB 0.445 19.470 19.000 0.042 0.000 0.884 122 A HN 0.075 8.136 8.150 -0.017 0.078 0.487 123 A N -2.199 120.568 122.820 -0.090 0.000 2.308 123 A HA 0.124 4.405 4.320 -0.065 0.000 0.217 123 A C 0.786 178.297 177.584 -0.122 0.000 1.216 123 A CA 0.540 52.520 52.037 -0.095 0.000 0.864 123 A CB -0.517 18.417 19.000 -0.110 0.000 0.902 123 A HN -0.544 7.536 8.150 -0.116 0.000 0.499 124 L N -0.547 120.578 121.223 -0.163 0.000 1.963 124 L HA -0.325 3.961 4.340 -0.198 -0.065 0.220 124 L C -0.682 176.121 176.870 -0.111 0.000 1.076 124 L CA 4.849 59.576 54.840 -0.188 0.000 0.772 124 L CB -2.343 39.526 42.059 -0.315 0.000 0.892 124 L HN -0.007 8.032 8.230 -0.171 0.088 0.435 125 P HA -0.155 4.243 4.420 -0.036 0.000 0.213 125 P C 0.817 178.094 177.300 -0.038 0.000 1.170 125 P CA 2.120 65.195 63.100 -0.043 0.000 0.902 125 P CB -0.521 31.165 31.700 -0.024 0.000 0.789 126 G N -2.812 105.964 108.800 -0.040 0.000 3.717 126 G HA2 -0.002 3.941 3.960 -0.028 0.000 0.258 126 G HA3 -0.002 3.940 3.960 -0.030 0.000 0.258 126 G C -0.968 173.904 174.900 -0.047 0.000 1.088 126 G CA -0.271 44.808 45.100 -0.035 0.000 1.737 126 G HN 0.255 8.520 8.290 -0.042 0.000 0.648 127 S N -0.992 114.676 115.700 -0.053 0.000 3.917 127 S HA -0.105 4.337 4.470 -0.047 0.000 0.094 127 S C -1.862 172.697 174.600 -0.068 0.000 0.815 127 S CA 0.722 58.885 58.200 -0.061 0.000 1.362 127 S CB 1.283 64.436 63.200 -0.077 0.000 0.819 127 S HN -0.395 7.813 8.310 -0.048 0.073 0.731 128 A N -0.534 122.243 122.820 -0.070 0.000 1.943 128 A HA 0.162 4.459 4.320 -0.038 0.000 0.293 128 A C -2.824 174.725 177.584 -0.059 0.000 1.143 128 A CA 0.923 52.923 52.037 -0.062 0.000 0.916 128 A CB 1.394 20.339 19.000 -0.091 0.000 1.297 128 A HN 0.331 8.349 8.150 -0.070 0.089 0.372 129 K N 0.826 121.210 120.400 -0.028 0.000 3.552 129 K HA 0.052 4.363 4.320 -0.014 0.000 0.382 129 K C -2.966 173.647 176.600 0.022 0.000 1.059 129 K CA -0.017 56.261 56.287 -0.017 0.000 0.799 129 K CB 2.932 35.403 32.500 -0.048 0.000 1.495 129 K HN -0.396 7.845 8.250 -0.015 0.000 0.491 130 D N -0.056 120.375 120.400 0.052 0.000 2.517 130 D HA 0.449 5.128 4.640 0.065 0.000 0.263 130 D C -1.751 174.607 176.300 0.096 0.000 1.233 130 D CA -1.740 52.315 54.000 0.090 0.000 0.849 130 D CB 0.988 41.881 40.800 0.155 0.000 1.261 130 D HN 0.121 8.517 8.370 0.043 0.000 0.516 131 P HA 0.246 4.805 4.420 0.004 -0.136 0.244 131 P C -1.022 176.310 177.300 0.053 0.000 1.211 131 P CA 0.479 63.595 63.100 0.026 0.000 0.760 131 P CB 0.025 31.729 31.700 0.007 0.000 0.961 132 S N -5.740 110.019 115.700 0.098 0.000 2.671 132 S HA -0.034 4.487 4.470 0.084 0.000 0.220 132 S C -0.832 173.911 174.600 0.238 0.000 0.951 132 S CA 0.097 58.369 58.200 0.119 0.000 0.932 132 S CB 0.250 63.508 63.200 0.096 0.000 0.777 132 S HN -0.123 8.093 8.310 0.109 0.158 0.508 133 W N 0.469 121.763 121.300 -0.011 0.000 2.494 133 W HA -0.150 4.502 4.660 -0.013 0.000 0.144 133 W C -1.644 174.870 176.519 -0.008 0.000 0.644 133 W CA 1.182 58.520 57.345 -0.011 0.000 1.076 133 W CB 0.590 30.043 29.460 -0.010 0.000 0.532 133 W HN -0.559 7.568 8.180 0.156 0.147 0.755 134 A N 0.000 122.835 122.820 0.025 0.000 2.254 134 A HA 0.000 4.306 4.320 0.009 0.019 0.244 134 A CA 0.000 51.932 52.037 -0.175 0.000 0.836 134 A CB 0.000 18.930 19.000 -0.116 0.000 0.831 134 A HN 0.000 8.231 8.150 0.279 0.086 0.486