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 2e0t_1_A DATA FIRST_RESID 61 DATA SEQUENCE HADEVWPGLY LGDQDMANNR RELRRLGITH VLNASHSRWR GTPEAYEGLG DATA SEQUENCE IRYLGVEAHD SPAFDMSIHF QTAADFIHRA LSQPGGKILV HCAVGVSRSA DATA SEQUENCE TLVLAYLMLY HHLTLVEAIK KVKDHRGIIP NRGFLRQLLA LDRRLRQGLE 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 61 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 61 H C 0.000 175.371 175.328 0.072 0.000 0.993 61 H CA 0.000 56.077 56.048 0.048 0.000 1.023 61 H CB 0.000 29.793 29.762 0.051 0.000 1.292 62 A N 3.730 126.151 122.820 -0.665 0.000 2.577 62 A HA 0.515 4.837 4.320 0.003 0.000 0.297 62 A C -1.786 175.639 177.584 -0.266 0.000 1.060 62 A CA -0.780 51.074 52.037 -0.305 0.000 0.697 62 A CB 1.698 20.697 19.000 -0.002 0.000 1.281 62 A HN 0.615 8.765 8.150 -0.000 0.000 0.402 63 D N 1.183 121.539 120.400 -0.073 0.000 2.362 63 D HA 0.283 4.925 4.640 0.003 0.000 0.247 63 D C -0.775 175.483 176.300 -0.071 0.000 1.050 63 D CA -0.134 53.856 54.000 -0.017 0.000 0.839 63 D CB 2.286 43.120 40.800 0.056 0.000 1.283 63 D HN 0.669 9.039 8.370 -0.000 0.000 0.477 64 E N 1.880 121.941 120.200 -0.231 0.000 1.893 64 E HA 0.124 4.476 4.350 0.003 0.000 0.269 64 E C 1.153 177.615 176.600 -0.230 0.000 1.129 64 E CA -0.348 55.724 56.400 -0.546 0.000 0.904 64 E CB 0.438 29.711 29.700 -0.712 0.000 1.077 64 E HN 0.299 8.659 8.360 -0.000 0.000 0.407 65 V N 3.308 123.148 119.914 -0.124 0.000 3.306 65 V HA 0.192 4.314 4.120 0.003 0.000 0.264 65 V C 0.435 176.479 176.094 -0.082 0.000 1.149 65 V CA -0.037 62.243 62.300 -0.033 0.000 1.143 65 V CB -0.458 31.411 31.823 0.077 0.000 0.767 65 V HN 0.590 8.780 8.190 -0.000 0.000 0.476 66 W N 0.363 121.480 121.300 -0.304 0.000 3.296 66 W HA 0.451 5.111 4.660 0.000 0.000 0.314 66 W C -3.290 173.074 176.519 -0.259 0.000 1.238 66 W CA -2.156 55.022 57.345 -0.278 0.000 1.193 66 W CB 1.914 31.290 29.460 -0.140 0.000 1.383 66 W HN -0.074 8.106 8.180 -0.000 0.000 0.545 67 P HA 0.103 4.523 4.420 -0.000 0.000 0.256 67 P C 0.573 177.804 177.300 -0.115 0.000 1.173 67 P CA 2.833 65.713 63.100 -0.367 0.000 0.768 67 P CB 0.087 31.506 31.700 -0.468 0.000 0.758 68 G N 2.852 111.587 108.800 -0.108 0.000 2.184 68 G HA2 -0.273 3.689 3.960 0.003 0.000 0.264 68 G HA3 -0.273 3.689 3.960 0.003 0.000 0.264 68 G C -0.090 174.854 174.900 0.072 0.000 0.975 68 G CA -0.238 44.878 45.100 0.026 0.000 0.642 68 G HN 0.565 8.855 8.290 -0.000 0.000 0.536 69 L N 0.955 122.164 121.223 -0.025 0.000 2.295 69 L HA 0.662 5.004 4.340 0.003 0.000 0.281 69 L C -0.607 176.218 176.870 -0.075 0.000 1.018 69 L CA -1.265 53.596 54.840 0.036 0.000 0.841 69 L CB 0.585 42.707 42.059 0.104 0.000 1.218 69 L HN 0.102 8.332 8.230 -0.000 0.000 0.424 70 Y N 4.757 125.071 120.300 0.023 0.000 2.328 70 Y HA 0.349 4.900 4.550 0.002 0.000 0.337 70 Y C -0.090 175.833 175.900 0.039 0.000 1.008 70 Y CA -0.640 57.471 58.100 0.019 0.000 1.129 70 Y CB 1.650 40.107 38.460 -0.005 0.000 1.185 70 Y HN 0.417 8.697 8.280 -0.000 0.000 0.476 71 L N 4.228 125.543 121.223 0.154 0.000 2.255 71 L HA 0.815 5.157 4.340 0.003 0.000 0.289 71 L C 0.056 177.014 176.870 0.146 0.000 1.046 71 L CA 0.263 55.188 54.840 0.142 0.000 0.816 71 L CB 0.141 42.270 42.059 0.116 0.000 1.197 71 L HN 0.706 8.936 8.230 -0.000 0.000 0.427 72 G N 3.160 112.061 108.800 0.167 0.000 3.105 72 G HA2 0.578 4.540 3.960 0.003 0.000 0.277 72 G HA3 0.578 4.540 3.960 0.003 0.000 0.277 72 G C -1.544 173.470 174.900 0.189 0.000 1.375 72 G CA -0.358 44.829 45.100 0.144 0.000 0.962 72 G HN 0.627 8.917 8.290 -0.000 0.000 0.541 73 D N -1.916 118.578 120.400 0.156 0.000 2.494 73 D HA 0.343 4.985 4.640 0.003 0.000 0.259 73 D C 1.075 177.417 176.300 0.070 0.000 1.109 73 D CA -0.779 53.313 54.000 0.153 0.000 1.040 73 D CB 1.306 42.197 40.800 0.151 0.000 1.175 73 D HN 0.239 8.609 8.370 -0.000 0.000 0.584 74 Q N -0.419 119.441 119.800 0.100 0.000 2.124 74 Q HA -0.140 4.202 4.340 0.003 0.000 0.202 74 Q C 0.941 176.925 176.000 -0.026 0.000 0.977 74 Q CA 1.812 57.638 55.803 0.039 0.000 0.850 74 Q CB -0.335 28.469 28.738 0.111 0.000 0.901 74 Q HN 0.473 8.743 8.270 -0.000 0.000 0.429 75 D N -0.646 119.762 120.400 0.014 0.000 2.144 75 D HA -0.153 4.489 4.640 0.003 0.000 0.199 75 D C 1.650 177.944 176.300 -0.010 0.000 0.984 75 D CA 1.233 55.239 54.000 0.010 0.000 0.834 75 D CB -0.139 40.681 40.800 0.033 0.000 0.955 75 D HN 0.314 8.684 8.370 -0.000 0.000 0.465 76 M N 1.087 120.677 119.600 -0.017 0.000 2.175 76 M HA 0.011 4.493 4.480 0.003 0.000 0.264 76 M C 1.858 178.112 176.300 -0.077 0.000 1.063 76 M CA 1.135 56.413 55.300 -0.038 0.000 1.119 76 M CB -0.352 32.229 32.600 -0.032 0.000 1.377 76 M HN -0.056 8.234 8.290 -0.000 0.000 0.415 77 A N -0.104 122.615 122.820 -0.167 0.000 2.067 77 A HA -0.085 4.237 4.320 0.003 0.000 0.219 77 A C 1.670 179.259 177.584 0.007 0.000 1.158 77 A CA 1.683 53.608 52.037 -0.186 0.000 0.661 77 A CB -0.782 17.801 19.000 -0.695 0.000 0.801 77 A HN 0.642 8.792 8.150 -0.000 0.000 0.452 78 N N -0.007 118.677 118.700 -0.025 0.000 2.280 78 N HA -0.001 4.741 4.740 0.003 0.000 0.192 78 N C -0.053 175.462 175.510 0.009 0.000 1.109 78 N CA 0.091 53.139 53.050 -0.004 0.000 0.855 78 N CB -0.062 38.415 38.487 -0.017 0.000 0.974 78 N HN 0.333 8.713 8.380 -0.000 0.000 0.482 79 N N 1.596 120.300 118.700 0.007 0.000 2.645 79 N HA 0.083 4.824 4.740 0.003 0.000 0.233 79 N C 1.092 176.605 175.510 0.005 0.000 1.058 79 N CA -0.087 52.964 53.050 0.002 0.000 0.942 79 N CB 0.609 39.090 38.487 -0.010 0.000 1.210 79 N HN 0.116 8.496 8.380 -0.000 0.000 0.512 80 R N 2.765 123.275 120.500 0.018 0.000 2.103 80 R HA -0.150 4.192 4.340 0.003 0.000 0.242 80 R C 1.863 178.159 176.300 -0.006 0.000 1.142 80 R CA 1.488 57.600 56.100 0.020 0.000 0.960 80 R CB 0.070 30.382 30.300 0.020 0.000 0.858 80 R HN 0.469 8.739 8.270 -0.000 0.000 0.439 81 R N -0.012 120.481 120.500 -0.012 0.000 2.075 81 R HA -0.165 4.177 4.340 0.003 0.000 0.232 81 R C 2.091 178.371 176.300 -0.033 0.000 1.126 81 R CA 1.866 57.954 56.100 -0.020 0.000 0.963 81 R CB -0.128 30.163 30.300 -0.015 0.000 0.858 81 R HN 0.162 8.432 8.270 -0.000 0.000 0.435 82 E N 0.582 120.760 120.200 -0.037 0.000 2.072 82 E HA -0.109 4.243 4.350 0.003 0.000 0.190 82 E C 1.926 178.473 176.600 -0.089 0.000 0.982 82 E CA 1.139 57.506 56.400 -0.056 0.000 0.803 82 E CB -0.193 29.478 29.700 -0.049 0.000 0.755 82 E HN 0.365 8.725 8.360 -0.000 0.000 0.453 83 L N 0.148 121.319 121.223 -0.087 0.000 2.079 83 L HA -0.158 4.184 4.340 0.003 0.000 0.210 83 L C 2.796 179.596 176.870 -0.116 0.000 1.081 83 L CA 1.602 56.367 54.840 -0.125 0.000 0.752 83 L CB -0.438 41.554 42.059 -0.112 0.000 0.896 83 L HN 0.147 8.377 8.230 -0.000 0.000 0.433 84 R N 0.411 120.864 120.500 -0.077 0.000 2.066 84 R HA -0.176 4.166 4.340 0.003 0.000 0.232 84 R C 2.510 178.769 176.300 -0.068 0.000 1.131 84 R CA 1.355 57.416 56.100 -0.065 0.000 0.955 84 R CB -0.186 30.089 30.300 -0.042 0.000 0.851 84 R HN 0.174 8.444 8.270 -0.000 0.000 0.432 85 R N 0.496 120.958 120.500 -0.064 0.000 2.103 85 R HA -0.123 4.219 4.340 0.003 0.000 0.242 85 R C 2.184 178.440 176.300 -0.074 0.000 1.142 85 R CA 1.701 57.767 56.100 -0.057 0.000 0.960 85 R CB -0.284 29.986 30.300 -0.049 0.000 0.858 85 R HN 0.313 8.583 8.270 -0.000 0.000 0.439 86 L N -0.607 120.545 121.223 -0.118 0.000 2.465 86 L HA 0.073 4.415 4.340 0.003 0.000 0.224 86 L C 1.203 177.984 176.870 -0.148 0.000 1.145 86 L CA 0.699 55.437 54.840 -0.169 0.000 0.834 86 L CB -0.046 41.811 42.059 -0.338 0.000 0.944 86 L HN 0.624 8.854 8.230 -0.000 0.000 0.451 87 G N 0.676 109.406 108.800 -0.117 0.000 2.176 87 G HA2 -0.246 3.716 3.960 0.003 0.000 0.252 87 G HA3 -0.246 3.716 3.960 0.003 0.000 0.252 87 G C 0.260 175.100 174.900 -0.099 0.000 1.024 87 G CA -0.396 44.652 45.100 -0.086 0.000 0.755 87 G HN 0.134 8.424 8.290 -0.000 0.000 0.507 88 I N 1.374 121.852 120.570 -0.153 0.000 2.710 88 I HA 0.135 4.306 4.170 0.003 0.000 0.286 88 I C 1.858 177.910 176.117 -0.108 0.000 1.181 88 I CA 1.581 62.792 61.300 -0.148 0.000 1.430 88 I CB 0.660 38.537 38.000 -0.206 0.000 1.367 88 I HN 0.413 8.623 8.210 -0.000 0.000 0.577 89 T N 2.469 116.997 114.554 -0.043 0.000 2.959 89 T HA 0.210 4.562 4.350 0.003 0.000 0.254 89 T C 0.530 175.077 174.700 -0.254 0.000 1.003 89 T CA 0.115 62.163 62.100 -0.087 0.000 0.950 89 T CB 0.244 69.130 68.868 0.031 0.000 1.090 89 T HN 0.592 8.832 8.240 -0.000 0.000 0.503 90 H N -0.250 118.770 119.070 -0.083 0.000 2.930 90 H HA 0.654 5.209 4.556 -0.002 0.000 0.371 90 H C -1.700 173.658 175.328 0.050 0.000 1.169 90 H CA -0.732 55.311 56.048 -0.009 0.000 1.157 90 H CB 2.668 32.337 29.762 -0.154 0.000 1.789 90 H HN -0.001 8.279 8.280 -0.000 0.000 0.547 91 V N 3.460 123.548 119.914 0.289 0.000 2.525 91 V HA 0.126 4.248 4.120 0.003 0.000 0.299 91 V C -0.741 175.538 176.094 0.308 0.000 1.034 91 V CA -0.709 61.751 62.300 0.267 0.000 0.863 91 V CB 2.351 34.267 31.823 0.156 0.000 0.999 91 V HN 0.402 8.592 8.190 -0.000 0.000 0.423 92 L N 5.271 126.633 121.223 0.230 0.000 2.276 92 L HA 0.604 4.946 4.340 0.003 0.000 0.286 92 L C -0.224 176.582 176.870 -0.108 0.000 1.024 92 L CA -0.016 54.800 54.840 -0.039 0.000 0.826 92 L CB 1.092 43.184 42.059 0.055 0.000 1.211 92 L HN 0.636 8.866 8.230 -0.000 0.000 0.422 93 N N 3.971 122.510 118.700 -0.268 0.000 2.437 93 N HA 0.334 5.076 4.740 0.003 0.000 0.243 93 N C 0.539 175.841 175.510 -0.347 0.000 1.041 93 N CA 0.328 53.159 53.050 -0.365 0.000 0.940 93 N CB 1.738 40.237 38.487 0.020 0.000 1.133 93 N HN 0.732 9.112 8.380 -0.000 0.000 0.506 94 A N 2.505 125.120 122.820 -0.343 0.000 2.235 94 A HA 0.051 4.373 4.320 0.003 0.000 0.208 94 A C 0.548 178.013 177.584 -0.199 0.000 1.172 94 A CA 0.524 52.425 52.037 -0.228 0.000 0.786 94 A CB -0.264 18.655 19.000 -0.134 0.000 0.804 94 A HN 0.643 8.793 8.150 -0.000 0.000 0.479 95 S N -0.630 114.953 115.700 -0.194 0.000 2.407 95 S HA 0.187 4.659 4.470 0.003 0.000 0.166 95 S C -0.413 174.118 174.600 -0.115 0.000 1.445 95 S CA -0.566 57.551 58.200 -0.138 0.000 1.260 95 S CB -0.640 62.502 63.200 -0.097 0.000 1.401 95 S HN 0.480 8.790 8.310 -0.000 0.000 0.379 96 H N 1.942 120.896 119.070 -0.194 0.000 2.803 96 H HA 0.297 4.855 4.556 0.004 0.000 0.330 96 H C -0.576 174.594 175.328 -0.263 0.000 1.057 96 H CA 0.409 56.356 56.048 -0.168 0.000 1.458 96 H CB 0.752 30.428 29.762 -0.144 0.000 1.470 96 H HN 0.445 8.725 8.280 -0.000 0.000 0.560 97 S N 5.743 120.871 115.700 -0.953 0.000 2.474 97 S HA 0.046 4.518 4.470 0.003 0.000 0.276 97 S C 1.578 175.449 174.600 -1.215 0.000 1.227 97 S CA -0.707 56.749 58.200 -1.239 0.000 1.050 97 S CB 0.661 62.818 63.200 -1.738 0.000 0.939 97 S HN 0.730 9.040 8.310 -0.000 0.000 0.490 98 R N 2.055 122.189 120.500 -0.610 0.000 2.159 98 R HA -0.162 4.180 4.340 0.003 0.000 0.237 98 R C 1.484 177.755 176.300 -0.048 0.000 1.131 98 R CA 1.870 57.888 56.100 -0.136 0.000 0.982 98 R CB -0.567 29.784 30.300 0.085 0.000 0.868 98 R HN 0.788 9.058 8.270 -0.000 0.000 0.453 99 W N 1.005 122.294 121.300 -0.018 0.000 2.800 99 W HA 0.247 4.910 4.660 0.005 0.000 0.249 99 W C 0.107 176.614 176.519 -0.020 0.000 1.294 99 W CA -0.699 56.641 57.345 -0.009 0.000 1.402 99 W CB 0.047 29.495 29.460 -0.019 0.000 1.126 99 W HN -0.184 7.996 8.180 -0.000 0.000 0.652 100 R N 0.586 120.872 120.500 -0.357 0.000 2.607 100 R HA 0.629 4.970 4.340 0.003 0.000 0.261 100 R C 0.641 176.939 176.300 -0.005 0.000 1.051 100 R CA -0.066 55.906 56.100 -0.214 0.000 1.110 100 R CB 0.977 31.019 30.300 -0.431 0.000 1.158 100 R HN 0.132 8.402 8.270 -0.000 0.000 0.543 101 G N -0.442 108.376 108.800 0.029 0.000 3.122 101 G HA2 0.219 4.181 3.960 0.003 0.000 0.180 101 G HA3 0.219 4.181 3.960 0.003 0.000 0.180 101 G C -0.802 174.102 174.900 0.007 0.000 1.279 101 G CA -0.470 44.679 45.100 0.082 0.000 0.987 101 G HN 0.416 8.706 8.290 -0.000 0.000 0.589 102 T N 2.656 117.141 114.554 -0.115 0.000 2.916 102 T HA 0.331 4.683 4.350 0.003 0.000 0.303 102 T C -2.217 172.177 174.700 -0.510 0.000 1.025 102 T CA -0.168 61.683 62.100 -0.415 0.000 1.142 102 T CB 1.056 69.782 68.868 -0.236 0.000 0.947 102 T HN 0.107 8.347 8.240 -0.000 0.000 0.544 103 P HA 0.013 4.433 4.420 -0.000 0.000 0.264 103 P C 0.969 177.888 177.300 -0.634 0.000 1.183 103 P CA -0.112 62.474 63.100 -0.857 0.000 0.763 103 P CB 0.526 31.267 31.700 -1.599 0.000 0.807 104 E N 3.349 123.326 120.200 -0.372 0.000 2.086 104 E HA -0.251 4.101 4.350 0.003 0.000 0.200 104 E C 1.730 178.240 176.600 -0.151 0.000 1.012 104 E CA 2.254 58.532 56.400 -0.203 0.000 0.812 104 E CB -1.603 28.016 29.700 -0.136 0.000 0.743 104 E HN 0.517 8.877 8.360 -0.000 0.000 0.453 105 A N 0.365 123.100 122.820 -0.140 0.000 2.119 105 A HA -0.061 4.260 4.320 0.003 0.000 0.216 105 A C 1.783 179.467 177.584 0.167 0.000 1.152 105 A CA 0.451 52.498 52.037 0.017 0.000 0.708 105 A CB -0.555 18.479 19.000 0.057 0.000 0.805 105 A HN 0.150 8.300 8.150 -0.000 0.000 0.460 106 Y N 0.316 120.568 120.300 -0.078 0.000 2.181 106 Y HA -0.200 4.352 4.550 0.003 0.000 0.288 106 Y C 2.310 178.180 175.900 -0.050 0.000 1.146 106 Y CA 0.966 59.027 58.100 -0.065 0.000 1.164 106 Y CB -1.085 37.325 38.460 -0.085 0.000 0.982 106 Y HN 0.647 8.927 8.280 -0.000 0.000 0.515 107 E N -0.193 120.073 120.200 0.110 0.000 2.058 107 E HA -0.163 4.188 4.350 0.003 0.000 0.194 107 E C 2.571 179.189 176.600 0.031 0.000 0.997 107 E CA 1.437 57.867 56.400 0.051 0.000 0.801 107 E CB -0.555 29.157 29.700 0.021 0.000 0.746 107 E HN 0.410 8.770 8.360 -0.000 0.000 0.450 108 G N 0.945 109.763 108.800 0.029 0.000 2.402 108 G HA2 -0.212 3.750 3.960 0.003 0.000 0.216 108 G HA3 -0.212 3.750 3.960 0.003 0.000 0.216 108 G C 1.546 176.451 174.900 0.009 0.000 1.162 108 G CA 0.651 45.760 45.100 0.014 0.000 0.777 108 G HN 0.247 8.537 8.290 -0.000 0.000 0.539 109 L N 0.433 121.668 121.223 0.020 0.000 2.456 109 L HA 0.167 4.509 4.340 0.003 0.000 0.224 109 L C 2.071 178.921 176.870 -0.035 0.000 1.148 109 L CA 0.549 55.384 54.840 -0.009 0.000 0.825 109 L CB -0.186 41.866 42.059 -0.011 0.000 0.937 109 L HN 0.407 8.637 8.230 -0.000 0.000 0.450 110 G N 0.717 109.502 108.800 -0.024 0.000 2.149 110 G HA2 -0.274 3.688 3.960 0.003 0.000 0.235 110 G HA3 -0.274 3.688 3.960 0.003 0.000 0.235 110 G C 0.127 174.973 174.900 -0.090 0.000 1.018 110 G CA -0.271 44.802 45.100 -0.046 0.000 0.728 110 G HN 0.279 8.569 8.290 -0.000 0.000 0.508 111 I N 0.319 120.838 120.570 -0.085 0.000 2.342 111 I HA 0.378 4.550 4.170 0.003 0.000 0.291 111 I C 0.823 176.899 176.117 -0.068 0.000 1.010 111 I CA -0.967 60.240 61.300 -0.154 0.000 1.308 111 I CB 1.121 38.943 38.000 -0.298 0.000 1.400 111 I HN 0.094 8.304 8.210 -0.000 0.000 0.488 112 R N 6.159 126.566 120.500 -0.155 0.000 2.308 112 R HA 0.256 4.597 4.340 0.003 0.000 0.305 112 R C -1.420 175.061 176.300 0.302 0.000 1.053 112 R CA -0.126 55.986 56.100 0.021 0.000 0.957 112 R CB 0.426 30.646 30.300 -0.132 0.000 1.022 112 R HN 0.427 8.697 8.270 -0.000 0.000 0.461 113 Y N 4.495 124.901 120.300 0.176 0.000 2.446 113 Y HA 0.599 5.150 4.550 0.001 0.000 0.338 113 Y C -1.570 174.266 175.900 -0.106 0.000 1.055 113 Y CA -1.367 56.818 58.100 0.142 0.000 1.101 113 Y CB 1.392 39.965 38.460 0.190 0.000 1.221 113 Y HN 0.565 8.845 8.280 -0.000 0.000 0.460 114 L N 5.047 125.690 121.223 -0.967 0.000 2.439 114 L HA 0.768 5.110 4.340 0.003 0.000 0.270 114 L C -0.930 175.162 176.870 -1.298 0.000 0.972 114 L CA -0.264 53.876 54.840 -1.167 0.000 0.836 114 L CB 1.760 42.803 42.059 -1.694 0.000 1.255 114 L HN 0.763 8.993 8.230 -0.000 0.000 0.404 115 G N 4.856 112.996 108.800 -1.100 0.000 2.468 115 G HA2 0.572 4.534 3.960 0.003 0.000 0.315 115 G HA3 0.572 4.534 3.960 0.003 0.000 0.315 115 G C -0.925 173.660 174.900 -0.525 0.000 1.203 115 G CA -0.342 44.262 45.100 -0.826 0.000 0.962 115 G HN 0.841 9.131 8.290 -0.000 0.000 0.476 116 V N 0.412 120.064 119.914 -0.435 0.000 2.472 116 V HA 0.625 4.747 4.120 0.003 0.000 0.290 116 V C -0.220 175.680 176.094 -0.324 0.000 1.037 116 V CA -1.235 60.767 62.300 -0.498 0.000 0.908 116 V CB 1.670 32.998 31.823 -0.825 0.000 0.985 116 V HN 0.667 8.857 8.190 -0.000 0.000 0.454 117 E N 3.317 123.399 120.200 -0.195 0.000 2.167 117 E HA 0.722 5.074 4.350 0.003 0.000 0.284 117 E C -0.134 176.387 176.600 -0.132 0.000 1.016 117 E CA -0.164 56.187 56.400 -0.081 0.000 0.817 117 E CB 1.599 31.312 29.700 0.021 0.000 1.080 117 E HN 1.157 9.517 8.360 -0.000 0.000 0.397 118 A N 3.643 126.244 122.820 -0.365 0.000 2.547 118 A HA 0.449 4.771 4.320 0.003 0.000 0.297 118 A C -1.537 175.649 177.584 -0.663 0.000 1.056 118 A CA -0.713 50.746 52.037 -0.963 0.000 0.688 118 A CB 0.884 19.522 19.000 -0.603 0.000 1.282 118 A HN 0.738 8.888 8.150 -0.000 0.000 0.400 119 H N 0.535 119.020 119.070 -0.976 0.000 2.472 119 H HA 0.363 4.921 4.556 0.003 0.000 0.338 119 H C -1.003 174.177 175.328 -0.247 0.000 1.133 119 H CA -0.694 55.126 56.048 -0.380 0.000 1.216 119 H CB 1.999 31.660 29.762 -0.169 0.000 1.497 119 H HN 0.631 8.911 8.280 -0.000 0.000 0.500 120 D N 2.011 122.427 120.400 0.027 0.000 2.713 120 D HA 0.050 4.692 4.640 0.003 0.000 0.229 120 D C -0.689 175.664 176.300 0.087 0.000 1.136 120 D CA 0.105 54.133 54.000 0.048 0.000 1.010 120 D CB -0.118 40.703 40.800 0.035 0.000 1.084 120 D HN 0.364 8.734 8.370 -0.000 0.000 0.495 121 S N 1.679 117.463 115.700 0.141 0.000 2.536 121 S HA 0.536 5.008 4.470 0.003 0.000 0.287 121 S C -2.051 172.647 174.600 0.163 0.000 1.101 121 S CA -1.463 56.826 58.200 0.148 0.000 0.950 121 S CB 1.823 65.128 63.200 0.176 0.000 1.056 121 S HN -0.025 8.285 8.310 -0.000 0.000 0.481 122 P HA 0.108 4.528 4.420 -0.000 0.000 0.225 122 P C 0.825 178.179 177.300 0.090 0.000 1.148 122 P CA 0.828 63.986 63.100 0.096 0.000 0.779 122 P CB 0.092 31.833 31.700 0.068 0.000 0.780 123 A N -1.871 121.014 122.820 0.108 0.000 2.208 123 A HA 0.058 4.380 4.320 0.003 0.000 0.209 123 A C 0.600 178.237 177.584 0.088 0.000 1.161 123 A CA -0.058 52.028 52.037 0.082 0.000 0.782 123 A CB -0.998 18.054 19.000 0.088 0.000 0.816 123 A HN 0.171 8.321 8.150 -0.000 0.000 0.477 124 F N 0.816 120.775 119.950 0.015 0.000 2.410 124 F HA 0.414 4.943 4.527 0.002 0.000 0.349 124 F C -0.318 175.454 175.800 -0.048 0.000 1.117 124 F CA -1.379 56.612 58.000 -0.016 0.000 1.104 124 F CB 0.899 39.905 39.000 0.009 0.000 1.122 124 F HN -0.003 8.297 8.300 -0.000 0.000 0.483 125 D N 6.333 126.316 120.400 -0.695 0.000 2.468 125 D HA 0.061 4.703 4.640 0.003 0.000 0.218 125 D C 1.025 177.013 176.300 -0.520 0.000 1.155 125 D CA -0.085 53.633 54.000 -0.470 0.000 0.924 125 D CB 0.853 41.391 40.800 -0.436 0.000 1.029 125 D HN 0.636 9.006 8.370 -0.000 0.000 0.515 126 M N 1.863 121.395 119.600 -0.112 0.000 2.346 126 M HA -0.138 4.344 4.480 0.003 0.000 0.263 126 M C 1.782 177.756 176.300 -0.544 0.000 1.064 126 M CA 1.013 56.343 55.300 0.050 0.000 1.083 126 M CB -0.331 32.433 32.600 0.274 0.000 1.399 126 M HN 0.171 8.461 8.290 -0.000 0.000 0.435 127 S N 0.064 115.183 115.700 -0.967 0.000 2.420 127 S HA -0.164 4.308 4.470 0.003 0.000 0.237 127 S C 1.903 176.008 174.600 -0.825 0.000 1.023 127 S CA 1.393 58.667 58.200 -1.543 0.000 0.991 127 S CB -0.724 61.995 63.200 -0.801 0.000 0.792 127 S HN 0.665 8.975 8.310 -0.000 0.000 0.488 128 I N 0.902 121.116 120.570 -0.593 0.000 2.530 128 I HA -0.213 3.959 4.170 0.003 0.000 0.257 128 I C 1.471 177.375 176.117 -0.354 0.000 1.179 128 I CA 1.407 62.421 61.300 -0.476 0.000 1.440 128 I CB -0.020 37.620 38.000 -0.600 0.000 1.087 128 I HN 0.335 8.545 8.210 -0.000 0.000 0.440 129 H N -0.776 118.236 119.070 -0.098 0.000 2.652 129 H HA 0.087 4.645 4.556 0.003 0.000 0.274 129 H C 1.697 177.146 175.328 0.201 0.000 1.021 129 H CA -0.036 56.042 56.048 0.051 0.000 1.187 129 H CB 0.110 29.929 29.762 0.095 0.000 1.505 129 H HN 0.242 8.522 8.280 -0.000 0.000 0.530 130 F N 1.851 121.877 119.950 0.127 0.000 2.065 130 F HA -0.222 4.307 4.527 0.002 0.000 0.298 130 F C 2.676 178.541 175.800 0.108 0.000 1.112 130 F CA 1.329 59.390 58.000 0.102 0.000 1.212 130 F CB -0.845 38.187 39.000 0.053 0.000 0.975 130 F HN 0.220 8.520 8.300 -0.000 0.000 0.476 131 Q N -0.386 119.589 119.800 0.293 0.000 2.046 131 Q HA -0.153 4.189 4.340 0.003 0.000 0.200 131 Q C 2.085 178.206 176.000 0.201 0.000 0.975 131 Q CA 2.229 58.154 55.803 0.204 0.000 0.836 131 Q CB -0.128 28.686 28.738 0.126 0.000 0.896 131 Q HN 0.330 8.600 8.270 -0.000 0.000 0.428 132 T N 0.553 115.212 114.554 0.175 0.000 2.746 132 T HA -0.132 4.220 4.350 0.003 0.000 0.267 132 T C 1.739 176.530 174.700 0.151 0.000 1.039 132 T CA 1.230 63.416 62.100 0.143 0.000 1.142 132 T CB -0.355 68.578 68.868 0.108 0.000 0.866 132 T HN 0.448 8.688 8.240 -0.000 0.000 0.444 133 A N 1.429 124.345 122.820 0.160 0.000 1.873 133 A HA 0.199 4.521 4.320 0.003 0.000 0.215 133 A C 2.649 180.346 177.584 0.188 0.000 1.186 133 A CA 1.776 53.895 52.037 0.137 0.000 0.616 133 A CB -1.124 17.954 19.000 0.130 0.000 0.823 133 A HN 0.496 8.646 8.150 -0.000 0.000 0.442 134 A N 0.026 122.992 122.820 0.243 0.000 1.933 134 A HA -0.178 4.144 4.320 0.003 0.000 0.218 134 A C 1.729 179.459 177.584 0.242 0.000 1.175 134 A CA 1.933 54.172 52.037 0.336 0.000 0.628 134 A CB -0.601 18.671 19.000 0.454 0.000 0.814 134 A HN 0.448 8.598 8.150 -0.000 0.000 0.444 135 D N -1.244 119.312 120.400 0.260 0.000 2.144 135 D HA -0.113 4.529 4.640 0.003 0.000 0.199 135 D C 1.538 177.912 176.300 0.124 0.000 0.984 135 D CA 1.082 55.202 54.000 0.201 0.000 0.834 135 D CB -0.369 40.563 40.800 0.220 0.000 0.955 135 D HN 0.494 8.864 8.370 -0.000 0.000 0.465 136 F N 1.102 121.035 119.950 -0.029 0.000 2.128 136 F HA -0.039 4.491 4.527 0.005 0.000 0.295 136 F C 2.103 177.780 175.800 -0.204 0.000 1.100 136 F CA 0.962 58.910 58.000 -0.087 0.000 1.260 136 F CB -0.228 38.728 39.000 -0.072 0.000 1.009 136 F HN -0.150 8.150 8.300 -0.000 0.000 0.476 137 I N -0.247 120.198 120.570 -0.209 0.000 2.226 137 I HA -0.336 3.836 4.170 0.003 0.000 0.245 137 I C 2.466 178.216 176.117 -0.612 0.000 1.100 137 I CA 1.822 62.791 61.300 -0.552 0.000 1.374 137 I CB -0.771 36.745 38.000 -0.806 0.000 1.057 137 I HN 0.244 8.454 8.210 -0.000 0.000 0.413 138 H N 1.238 119.975 119.070 -0.555 0.000 2.353 138 H HA -0.191 4.369 4.556 0.007 0.000 0.300 138 H C 2.376 177.489 175.328 -0.358 0.000 1.090 138 H CA 1.897 57.662 56.048 -0.471 0.000 1.327 138 H CB -0.091 29.121 29.762 -0.918 0.000 1.383 138 H HN 0.093 8.373 8.280 -0.000 0.000 0.508 139 R N -0.161 120.066 120.500 -0.455 0.000 2.081 139 R HA -0.091 4.251 4.340 0.003 0.000 0.235 139 R C 2.385 178.353 176.300 -0.553 0.000 1.131 139 R CA 1.185 57.011 56.100 -0.456 0.000 0.960 139 R CB -0.393 29.741 30.300 -0.277 0.000 0.856 139 R HN 0.431 8.701 8.270 -0.000 0.000 0.436 140 A N 0.903 123.239 122.820 -0.807 0.000 1.877 140 A HA -0.107 4.215 4.320 0.003 0.000 0.216 140 A C 2.111 179.374 177.584 -0.535 0.000 1.186 140 A CA 1.160 52.564 52.037 -1.054 0.000 0.620 140 A CB -0.486 17.670 19.000 -1.407 0.000 0.822 140 A HN 0.339 8.489 8.150 -0.000 0.000 0.443 141 L N -0.359 120.621 121.223 -0.405 0.000 2.395 141 L HA -0.036 4.306 4.340 0.003 0.000 0.218 141 L C 2.380 179.169 176.870 -0.135 0.000 1.130 141 L CA 0.783 55.513 54.840 -0.183 0.000 0.826 141 L CB -0.235 41.801 42.059 -0.039 0.000 0.941 141 L HN 0.267 8.497 8.230 -0.000 0.000 0.451 142 S N -0.466 115.077 115.700 -0.261 0.000 2.453 142 S HA -0.079 4.393 4.470 0.003 0.000 0.231 142 S C 0.807 175.327 174.600 -0.134 0.000 1.005 142 S CA 0.527 58.593 58.200 -0.223 0.000 0.949 142 S CB -0.180 62.763 63.200 -0.428 0.000 0.774 142 S HN 0.527 8.837 8.310 -0.000 0.000 0.510 143 Q N 1.368 121.085 119.800 -0.138 0.000 2.290 143 Q HA 0.452 4.794 4.340 0.003 0.000 0.259 143 Q C -3.172 172.799 176.000 -0.048 0.000 0.941 143 Q CA -2.461 53.296 55.803 -0.078 0.000 0.912 143 Q CB 0.512 29.210 28.738 -0.066 0.000 1.244 143 Q HN -0.056 8.214 8.270 -0.000 0.000 0.441 144 P HA 0.019 4.439 4.420 -0.000 0.000 0.264 144 P C 0.643 177.936 177.300 -0.011 0.000 1.193 144 P CA 1.449 64.539 63.100 -0.016 0.000 0.763 144 P CB 0.621 32.314 31.700 -0.011 0.000 0.810 145 G N 2.126 110.922 108.800 -0.006 0.000 2.232 145 G HA2 -0.160 3.802 3.960 0.003 0.000 0.226 145 G HA3 -0.160 3.802 3.960 0.003 0.000 0.226 145 G C 0.637 175.545 174.900 0.012 0.000 0.996 145 G CA -0.264 44.837 45.100 0.002 0.000 0.626 145 G HN 0.881 9.171 8.290 -0.000 0.000 0.509 146 G N 0.710 109.510 108.800 -0.001 0.000 2.313 146 G HA2 0.456 4.418 3.960 0.003 0.000 0.250 146 G HA3 0.456 4.418 3.960 0.003 0.000 0.250 146 G C -0.126 174.782 174.900 0.013 0.000 1.281 146 G CA 0.356 45.455 45.100 -0.003 0.000 0.917 146 G HN 0.484 8.774 8.290 -0.000 0.000 0.501 147 K N 2.265 122.702 120.400 0.061 0.000 2.578 147 K HA 0.376 4.698 4.320 0.003 0.000 0.250 147 K C -1.098 175.558 176.600 0.093 0.000 0.955 147 K CA -0.610 55.737 56.287 0.099 0.000 0.825 147 K CB 2.583 35.139 32.500 0.092 0.000 1.151 147 K HN 0.489 8.739 8.250 -0.000 0.000 0.432 148 I N 3.714 124.347 120.570 0.105 0.000 2.530 148 I HA 0.389 4.560 4.170 0.003 0.000 0.297 148 I C -1.497 174.715 176.117 0.159 0.000 1.011 148 I CA -1.367 59.987 61.300 0.091 0.000 1.107 148 I CB 1.253 39.230 38.000 -0.038 0.000 1.285 148 I HN 0.520 8.730 8.210 -0.000 0.000 0.436 149 L N 8.550 129.852 121.223 0.132 0.000 2.296 149 L HA 0.624 4.966 4.340 0.003 0.000 0.286 149 L C -1.408 175.587 176.870 0.207 0.000 1.023 149 L CA -0.268 54.665 54.840 0.155 0.000 0.812 149 L CB 1.621 43.719 42.059 0.064 0.000 1.223 149 L HN 0.368 8.598 8.230 -0.000 0.000 0.421 150 V N 5.949 125.983 119.914 0.201 0.000 2.448 150 V HA 0.642 4.764 4.120 0.003 0.000 0.295 150 V C -0.392 175.832 176.094 0.217 0.000 1.025 150 V CA -0.449 61.952 62.300 0.168 0.000 0.859 150 V CB 1.186 33.065 31.823 0.094 0.000 0.988 150 V HN 1.020 9.210 8.190 -0.000 0.000 0.431 151 H N 2.848 121.967 119.070 0.081 0.000 2.960 151 H HA 0.766 5.324 4.556 0.002 0.000 0.323 151 H C -0.899 174.469 175.328 0.066 0.000 1.326 151 H CA -0.571 55.527 56.048 0.083 0.000 1.124 151 H CB 1.532 31.352 29.762 0.098 0.000 1.853 151 H HN 0.855 9.135 8.280 -0.000 0.000 0.536 152 C N -1.173 118.129 119.300 0.003 0.000 3.307 152 C HA 0.871 5.332 4.460 0.003 0.000 0.350 152 C C 1.746 176.818 174.990 0.137 0.000 1.549 152 C CA -0.030 58.949 59.018 -0.065 0.000 1.396 152 C CB 0.898 28.615 27.740 -0.038 0.000 1.970 152 C HN 1.046 9.276 8.230 -0.000 0.000 0.441 153 A N -0.034 122.833 122.820 0.080 0.000 2.014 153 A HA 0.174 4.496 4.320 0.003 0.000 0.218 153 A C 1.760 179.398 177.584 0.090 0.000 1.163 153 A CA 2.611 54.709 52.037 0.103 0.000 0.652 153 A CB -0.675 18.357 19.000 0.054 0.000 0.808 153 A HN 1.905 10.055 8.150 -0.000 0.000 0.449 154 V N -4.975 114.983 119.914 0.074 0.000 2.996 154 V HA 0.614 4.736 4.120 0.003 0.000 0.235 154 V C 1.257 177.392 176.094 0.068 0.000 1.205 154 V CA 1.069 63.408 62.300 0.064 0.000 1.225 154 V CB -0.347 31.504 31.823 0.047 0.000 0.995 154 V HN 0.473 8.663 8.190 -0.000 0.000 0.484 155 G N 0.496 109.338 108.800 0.071 0.000 3.382 155 G HA2 0.453 4.415 3.960 0.003 0.000 0.183 155 G HA3 0.453 4.415 3.960 0.003 0.000 0.183 155 G C 0.189 175.142 174.900 0.089 0.000 1.246 155 G CA 0.666 45.810 45.100 0.074 0.000 0.828 155 G HN 1.099 9.389 8.290 -0.000 0.000 0.728 156 V N -1.653 118.311 119.914 0.082 0.000 3.199 156 V HA 0.385 4.507 4.120 0.003 0.000 0.331 156 V C 1.670 177.809 176.094 0.075 0.000 1.446 156 V CA 1.013 63.366 62.300 0.088 0.000 1.120 156 V CB -0.025 31.857 31.823 0.099 0.000 1.051 156 V HN 0.535 8.725 8.190 -0.000 0.000 0.495 157 S N 2.030 117.770 115.700 0.066 0.000 2.354 157 S HA -0.197 4.274 4.470 0.003 0.000 0.219 157 S C 2.119 176.762 174.600 0.072 0.000 1.035 157 S CA 2.463 60.704 58.200 0.068 0.000 1.037 157 S CB -0.190 63.048 63.200 0.062 0.000 0.956 157 S HN 0.722 9.032 8.310 -0.000 0.000 0.428 158 R N 0.681 121.214 120.500 0.055 0.000 2.092 158 R HA -0.023 4.318 4.340 0.003 0.000 0.231 158 R C 2.836 179.168 176.300 0.054 0.000 1.119 158 R CA 1.571 57.704 56.100 0.054 0.000 0.970 158 R CB -0.392 29.907 30.300 -0.001 0.000 0.864 158 R HN 0.647 8.917 8.270 -0.000 0.000 0.440 159 S N 0.725 116.448 115.700 0.037 0.000 2.355 159 S HA -0.061 4.411 4.470 0.003 0.000 0.222 159 S C 2.288 176.926 174.600 0.062 0.000 1.031 159 S CA 0.827 59.051 58.200 0.039 0.000 0.993 159 S CB -0.311 62.920 63.200 0.052 0.000 0.859 159 S HN 0.337 8.647 8.310 -0.000 0.000 0.453 160 A N 1.713 124.576 122.820 0.071 0.000 1.933 160 A HA -0.047 4.275 4.320 0.003 0.000 0.218 160 A C 2.396 180.013 177.584 0.055 0.000 1.175 160 A CA 2.095 54.173 52.037 0.067 0.000 0.628 160 A CB -1.678 17.365 19.000 0.071 0.000 0.814 160 A HN 0.539 8.689 8.150 -0.000 0.000 0.444 161 T N 0.359 114.957 114.554 0.073 0.000 2.746 161 T HA -0.078 4.274 4.350 0.003 0.000 0.267 161 T C 1.757 176.475 174.700 0.030 0.000 1.039 161 T CA 1.490 63.635 62.100 0.075 0.000 1.142 161 T CB -0.355 68.617 68.868 0.172 0.000 0.866 161 T HN 0.398 8.638 8.240 -0.000 0.000 0.444 162 L N 0.560 121.832 121.223 0.081 0.000 2.141 162 L HA -0.041 4.301 4.340 0.003 0.000 0.209 162 L C 2.595 179.490 176.870 0.042 0.000 1.094 162 L CA 0.701 55.586 54.840 0.076 0.000 0.763 162 L CB -0.600 41.521 42.059 0.103 0.000 0.908 162 L HN 0.156 8.386 8.230 -0.000 0.000 0.437 163 V N 0.238 120.179 119.914 0.044 0.000 2.358 163 V HA -0.268 3.854 4.120 0.003 0.000 0.246 163 V C 2.412 178.528 176.094 0.037 0.000 1.047 163 V CA 1.551 63.888 62.300 0.063 0.000 1.035 163 V CB -0.350 31.507 31.823 0.057 0.000 0.658 163 V HN 0.332 8.522 8.190 -0.000 0.000 0.452 164 L N 0.210 121.420 121.223 -0.022 0.000 2.046 164 L HA -0.165 4.177 4.340 0.003 0.000 0.208 164 L C 2.750 179.524 176.870 -0.159 0.000 1.077 164 L CA 1.632 56.425 54.840 -0.078 0.000 0.747 164 L CB -0.857 41.159 42.059 -0.071 0.000 0.896 164 L HN 0.355 8.585 8.230 -0.000 0.000 0.432 165 A N -0.567 122.104 122.820 -0.249 0.000 1.902 165 A HA -0.291 4.030 4.320 0.003 0.000 0.217 165 A C 2.220 179.699 177.584 -0.175 0.000 1.181 165 A CA 1.735 53.535 52.037 -0.395 0.000 0.623 165 A CB -0.905 17.610 19.000 -0.809 0.000 0.818 165 A HN 0.518 8.668 8.150 -0.000 0.000 0.443 166 Y N 0.584 120.798 120.300 -0.144 0.000 2.181 166 Y HA -0.150 4.402 4.550 0.003 0.000 0.288 166 Y C 1.869 177.721 175.900 -0.081 0.000 1.146 166 Y CA 1.795 59.868 58.100 -0.046 0.000 1.164 166 Y CB -0.381 38.043 38.460 -0.060 0.000 0.982 166 Y HN 0.203 8.483 8.280 -0.000 0.000 0.515 167 L N -0.476 120.522 121.223 -0.375 0.000 2.083 167 L HA -0.258 4.084 4.340 0.003 0.000 0.209 167 L C 2.477 179.121 176.870 -0.377 0.000 1.083 167 L CA 1.722 56.254 54.840 -0.513 0.000 0.752 167 L CB -0.508 41.321 42.059 -0.384 0.000 0.899 167 L HN 0.343 8.573 8.230 -0.000 0.000 0.433 168 M N -0.789 118.639 119.600 -0.286 0.000 2.132 168 M HA -0.177 4.305 4.480 0.003 0.000 0.263 168 M C 2.174 178.283 176.300 -0.318 0.000 1.065 168 M CA 1.677 56.831 55.300 -0.245 0.000 1.122 168 M CB -0.234 32.243 32.600 -0.204 0.000 1.365 168 M HN 0.187 8.477 8.290 -0.000 0.000 0.411 169 L N -2.035 118.980 121.223 -0.348 0.000 2.240 169 L HA -0.113 4.229 4.340 0.003 0.000 0.211 169 L C 1.495 177.918 176.870 -0.746 0.000 1.106 169 L CA 1.010 55.578 54.840 -0.453 0.000 0.793 169 L CB -0.167 41.702 42.059 -0.315 0.000 0.927 169 L HN 0.269 8.499 8.230 -0.000 0.000 0.446 170 Y N -2.999 116.886 120.300 -0.692 0.000 2.426 170 Y HA 0.169 4.721 4.550 0.005 0.000 0.249 170 Y C 1.527 176.823 175.900 -1.007 0.000 1.103 170 Y CA -0.047 57.543 58.100 -0.850 0.000 1.256 170 Y CB 0.597 38.490 38.460 -0.945 0.000 1.208 170 Y HN 0.108 8.388 8.280 -0.000 0.000 0.519 171 H N -1.067 117.787 119.070 -0.361 0.000 2.567 171 H HA 0.196 4.753 4.556 0.002 0.000 0.267 171 H C -0.333 175.027 175.328 0.055 0.000 1.148 171 H CA -0.120 55.867 56.048 -0.103 0.000 1.031 171 H CB -0.164 29.430 29.762 -0.280 0.000 1.691 171 H HN 0.425 8.705 8.280 -0.000 0.000 0.588 172 H N -0.331 118.670 119.070 -0.115 0.000 2.776 172 H HA -0.165 4.392 4.556 0.002 0.000 0.300 172 H C -0.108 175.190 175.328 -0.049 0.000 1.161 172 H CA 0.469 56.468 56.048 -0.081 0.000 1.147 172 H CB -2.152 27.584 29.762 -0.043 0.000 1.366 172 H HN 0.332 8.612 8.280 -0.000 0.000 0.397 173 L N 0.632 121.853 121.223 -0.003 0.000 2.343 173 L HA 0.365 4.707 4.340 0.003 0.000 0.275 173 L C 1.234 178.085 176.870 -0.032 0.000 1.056 173 L CA -0.406 54.434 54.840 -0.000 0.000 0.804 173 L CB 1.348 43.392 42.059 -0.025 0.000 1.203 173 L HN 0.347 8.577 8.230 -0.000 0.000 0.440 174 T N -1.159 113.390 114.554 -0.008 0.000 2.828 174 T HA 0.137 4.489 4.350 0.003 0.000 0.290 174 T C 0.945 175.630 174.700 -0.024 0.000 1.019 174 T CA -0.690 61.399 62.100 -0.017 0.000 1.031 174 T CB 1.178 70.046 68.868 -0.001 0.000 1.001 174 T HN 0.475 8.715 8.240 -0.000 0.000 0.531 175 L N 1.926 123.133 121.223 -0.027 0.000 2.079 175 L HA -0.021 4.321 4.340 0.003 0.000 0.210 175 L C 2.468 179.335 176.870 -0.005 0.000 1.081 175 L CA 1.549 56.373 54.840 -0.026 0.000 0.752 175 L CB -0.946 41.102 42.059 -0.020 0.000 0.896 175 L HN 0.702 8.932 8.230 -0.000 0.000 0.433 176 V N -0.282 119.635 119.914 0.005 0.000 2.343 176 V HA -0.278 3.844 4.120 0.003 0.000 0.247 176 V C 2.501 178.611 176.094 0.026 0.000 1.051 176 V CA 2.051 64.361 62.300 0.017 0.000 1.036 176 V CB -0.590 31.243 31.823 0.017 0.000 0.654 176 V HN 0.515 8.705 8.190 -0.000 0.000 0.451 177 E N 0.146 120.362 120.200 0.026 0.000 2.106 177 E HA -0.164 4.188 4.350 0.003 0.000 0.192 177 E C 2.323 178.953 176.600 0.050 0.000 0.984 177 E CA 1.236 57.662 56.400 0.043 0.000 0.806 177 E CB -0.317 29.410 29.700 0.045 0.000 0.750 177 E HN 0.604 8.964 8.360 -0.000 0.000 0.458 178 A N 1.221 124.053 122.820 0.020 0.000 1.898 178 A HA -0.165 4.157 4.320 0.003 0.000 0.216 178 A C 2.176 179.782 177.584 0.038 0.000 1.181 178 A CA 1.021 53.063 52.037 0.008 0.000 0.620 178 A CB -0.574 18.399 19.000 -0.046 0.000 0.819 178 A HN 0.132 8.282 8.150 -0.000 0.000 0.442 179 I N -0.431 120.159 120.570 0.033 0.000 2.208 179 I HA -0.295 3.877 4.170 0.003 0.000 0.245 179 I C 2.558 178.715 176.117 0.067 0.000 1.097 179 I CA 1.971 63.299 61.300 0.046 0.000 1.363 179 I CB -0.215 37.806 38.000 0.036 0.000 1.051 179 I HN 0.416 8.626 8.210 -0.000 0.000 0.413 180 K N 1.048 121.489 120.400 0.068 0.000 2.026 180 K HA -0.208 4.114 4.320 0.003 0.000 0.208 180 K C 2.209 178.884 176.600 0.125 0.000 1.048 180 K CA 1.289 57.623 56.287 0.080 0.000 0.929 180 K CB 0.095 32.636 32.500 0.068 0.000 0.713 180 K HN 0.022 8.272 8.250 -0.000 0.000 0.439 181 K N 0.565 121.058 120.400 0.155 0.000 2.032 181 K HA -0.121 4.201 4.320 0.003 0.000 0.209 181 K C 2.186 178.958 176.600 0.287 0.000 1.048 181 K CA 1.301 57.736 56.287 0.246 0.000 0.927 181 K CB -0.607 32.041 32.500 0.247 0.000 0.712 181 K HN 0.083 8.333 8.250 -0.000 0.000 0.441 182 V N 1.744 121.767 119.914 0.182 0.000 2.270 182 V HA -0.221 3.901 4.120 0.003 0.000 0.245 182 V C 2.349 178.541 176.094 0.164 0.000 1.043 182 V CA 1.692 64.091 62.300 0.164 0.000 1.014 182 V CB -0.372 31.516 31.823 0.109 0.000 0.645 182 V HN 0.331 8.521 8.190 -0.000 0.000 0.447 183 K N -0.192 120.281 120.400 0.122 0.000 2.097 183 K HA -0.203 4.119 4.320 0.003 0.000 0.206 183 K C 1.840 178.482 176.600 0.071 0.000 1.049 183 K CA 1.698 58.039 56.287 0.090 0.000 0.933 183 K CB -0.318 32.222 32.500 0.066 0.000 0.717 183 K HN 0.428 8.678 8.250 -0.000 0.000 0.442 184 D N -0.086 120.355 120.400 0.069 0.000 2.264 184 D HA -0.095 4.547 4.640 0.003 0.000 0.208 184 D C 0.929 177.107 176.300 -0.204 0.000 0.966 184 D CA 1.227 55.191 54.000 -0.059 0.000 0.864 184 D CB -0.022 40.726 40.800 -0.085 0.000 0.933 184 D HN 0.340 8.710 8.370 -0.000 0.000 0.499 185 H N -1.035 118.059 119.070 0.039 0.000 2.542 185 H HA 0.308 4.867 4.556 0.004 0.000 0.283 185 H C -0.025 175.328 175.328 0.040 0.000 1.059 185 H CA -0.167 55.897 56.048 0.027 0.000 1.162 185 H CB 0.429 30.200 29.762 0.014 0.000 1.539 185 H HN -0.192 8.088 8.280 -0.000 0.000 0.543 186 R N 1.183 121.759 120.500 0.125 0.000 2.230 186 R HA 0.268 4.610 4.340 0.003 0.000 0.337 186 R C 0.288 176.654 176.300 0.111 0.000 1.063 186 R CA -0.522 55.659 56.100 0.136 0.000 0.935 186 R CB 0.985 31.365 30.300 0.133 0.000 1.121 186 R HN 0.246 8.516 8.270 -0.000 0.000 0.486 187 G N 2.296 111.170 108.800 0.124 0.000 2.491 187 G HA2 0.175 4.137 3.960 0.003 0.000 0.238 187 G HA3 0.175 4.137 3.960 0.003 0.000 0.238 187 G C 0.878 175.840 174.900 0.103 0.000 1.277 187 G CA -0.369 44.791 45.100 0.100 0.000 0.851 187 G HN 0.798 9.088 8.290 -0.000 0.000 0.573 188 I N -1.054 119.558 120.570 0.071 0.000 4.147 188 I HA 0.456 4.628 4.170 0.003 0.000 0.329 188 I C -0.047 176.115 176.117 0.075 0.000 1.424 188 I CA -0.125 61.213 61.300 0.063 0.000 1.127 188 I CB 0.337 38.364 38.000 0.046 0.000 1.128 188 I HN 0.231 8.441 8.210 -0.000 0.000 0.417 189 I N 3.752 124.369 120.570 0.078 0.000 2.926 189 I HA 0.300 4.472 4.170 0.003 0.000 0.295 189 I C -1.530 174.631 176.117 0.072 0.000 1.463 189 I CA -1.025 60.333 61.300 0.095 0.000 0.892 189 I CB 0.854 38.908 38.000 0.089 0.000 1.874 189 I HN -0.044 8.166 8.210 -0.000 0.000 0.620 190 P HA -0.123 4.297 4.420 -0.000 0.000 0.223 190 P C 0.355 177.639 177.300 -0.026 0.000 1.151 190 P CA 0.934 64.057 63.100 0.037 0.000 0.787 190 P CB 0.141 31.878 31.700 0.062 0.000 0.788 191 N N 0.699 119.349 118.700 -0.083 0.000 2.401 191 N HA 0.037 4.778 4.740 0.003 0.000 0.255 191 N C 1.395 176.829 175.510 -0.126 0.000 1.110 191 N CA -0.521 52.381 53.050 -0.246 0.000 0.949 191 N CB 0.503 38.555 38.487 -0.725 0.000 1.110 191 N HN -0.232 8.148 8.380 -0.000 0.000 0.490 192 R N 2.817 123.262 120.500 -0.090 0.000 2.120 192 R HA -0.092 4.249 4.340 0.003 0.000 0.234 192 R C 1.800 178.098 176.300 -0.003 0.000 1.123 192 R CA 1.165 57.248 56.100 -0.029 0.000 0.975 192 R CB -0.804 29.481 30.300 -0.025 0.000 0.866 192 R HN 0.710 8.980 8.270 -0.000 0.000 0.446 193 G N -0.054 108.722 108.800 -0.041 0.000 2.402 193 G HA2 -0.188 3.774 3.960 0.003 0.000 0.216 193 G HA3 -0.188 3.774 3.960 0.003 0.000 0.216 193 G C 1.535 176.558 174.900 0.206 0.000 1.162 193 G CA 0.119 45.245 45.100 0.044 0.000 0.777 193 G HN 0.264 8.554 8.290 -0.000 0.000 0.539 194 F N -0.099 119.856 119.950 0.008 0.000 2.134 194 F HA -0.075 4.454 4.527 0.004 0.000 0.299 194 F C 2.529 178.333 175.800 0.006 0.000 1.097 194 F CA 0.372 58.376 58.000 0.007 0.000 1.264 194 F CB -0.135 38.870 39.000 0.009 0.000 1.001 194 F HN 0.145 8.445 8.300 -0.000 0.000 0.479 195 L N 1.194 122.534 121.223 0.196 0.000 2.012 195 L HA -0.221 4.121 4.340 0.003 0.000 0.210 195 L C 2.514 179.432 176.870 0.080 0.000 1.073 195 L CA 1.733 56.638 54.840 0.108 0.000 0.748 195 L CB -0.853 41.246 42.059 0.067 0.000 0.891 195 L HN -0.011 8.219 8.230 -0.000 0.000 0.431 196 R N -0.880 119.666 120.500 0.077 0.000 2.091 196 R HA -0.216 4.126 4.340 0.003 0.000 0.238 196 R C 2.261 178.595 176.300 0.056 0.000 1.136 196 R CA 2.036 58.170 56.100 0.056 0.000 0.959 196 R CB -0.287 30.043 30.300 0.050 0.000 0.856 196 R HN 0.573 8.843 8.270 -0.000 0.000 0.437 197 Q N 0.186 120.033 119.800 0.079 0.000 2.124 197 Q HA -0.114 4.228 4.340 0.003 0.000 0.202 197 Q C 2.230 178.248 176.000 0.030 0.000 0.977 197 Q CA 1.569 57.406 55.803 0.056 0.000 0.850 197 Q CB -0.017 28.763 28.738 0.071 0.000 0.901 197 Q HN 0.387 8.657 8.270 -0.000 0.000 0.429 198 L N -0.044 121.202 121.223 0.037 0.000 2.109 198 L HA -0.146 4.196 4.340 0.003 0.000 0.207 198 L C 2.121 179.001 176.870 0.017 0.000 1.086 198 L CA 0.690 55.541 54.840 0.018 0.000 0.760 198 L CB -0.213 41.861 42.059 0.026 0.000 0.910 198 L HN 0.249 8.479 8.230 -0.000 0.000 0.437 199 L N -0.547 120.691 121.223 0.024 0.000 2.141 199 L HA -0.153 4.189 4.340 0.003 0.000 0.209 199 L C 2.802 179.680 176.870 0.013 0.000 1.094 199 L CA 0.952 55.802 54.840 0.017 0.000 0.763 199 L CB -0.588 41.483 42.059 0.019 0.000 0.908 199 L HN 0.227 8.457 8.230 -0.000 0.000 0.437 200 A N -0.204 122.625 122.820 0.015 0.000 1.898 200 A HA -0.169 4.153 4.320 0.003 0.000 0.216 200 A C 2.284 179.871 177.584 0.006 0.000 1.181 200 A CA 1.149 53.193 52.037 0.011 0.000 0.620 200 A CB -0.617 18.391 19.000 0.014 0.000 0.819 200 A HN 0.344 8.494 8.150 -0.000 0.000 0.442 201 L N -0.374 120.851 121.223 0.003 0.000 2.046 201 L HA -0.225 4.117 4.340 0.003 0.000 0.208 201 L C 2.296 179.165 176.870 -0.001 0.000 1.077 201 L CA 2.556 57.395 54.840 -0.002 0.000 0.747 201 L CB -0.498 41.557 42.059 -0.008 0.000 0.896 201 L HN 0.501 8.731 8.230 -0.000 0.000 0.432 202 D N -0.365 120.036 120.400 0.001 0.000 2.104 202 D HA -0.219 4.423 4.640 0.003 0.000 0.194 202 D C 2.296 178.597 176.300 0.001 0.000 0.994 202 D CA 1.359 55.359 54.000 0.001 0.000 0.830 202 D CB 0.112 40.914 40.800 0.003 0.000 0.959 202 D HN 0.151 8.521 8.370 -0.000 0.000 0.452 203 R N -0.196 120.305 120.500 0.003 0.000 2.081 203 R HA -0.089 4.253 4.340 0.003 0.000 0.235 203 R C 2.557 178.857 176.300 0.001 0.000 1.131 203 R CA 1.057 57.159 56.100 0.002 0.000 0.960 203 R CB -0.315 29.987 30.300 0.003 0.000 0.856 203 R HN 0.208 8.479 8.270 -0.000 0.000 0.436 204 R N 0.953 121.453 120.500 0.001 0.000 2.083 204 R HA -0.102 4.240 4.340 0.003 0.000 0.237 204 R C 2.320 178.619 176.300 -0.001 0.000 1.137 204 R CA 1.335 57.435 56.100 -0.000 0.000 0.951 204 R CB -0.203 30.096 30.300 -0.001 0.000 0.851 204 R HN 0.174 8.444 8.270 -0.000 0.000 0.434 205 L N -0.305 120.917 121.223 -0.002 0.000 2.109 205 L HA -0.092 4.250 4.340 0.003 0.000 0.207 205 L C 2.637 179.506 176.870 -0.001 0.000 1.086 205 L CA 1.144 55.982 54.840 -0.002 0.000 0.760 205 L CB -0.312 41.745 42.059 -0.003 0.000 0.910 205 L HN 0.192 8.422 8.230 -0.000 0.000 0.437 206 R N -0.321 120.179 120.500 -0.001 0.000 2.090 206 R HA -0.107 4.235 4.340 0.003 0.000 0.228 206 R C 2.192 178.492 176.300 -0.000 0.000 1.110 206 R CA 1.135 57.234 56.100 -0.001 0.000 0.973 206 R CB -0.041 30.259 30.300 -0.000 0.000 0.869 206 R HN 0.505 8.775 8.270 -0.000 0.000 0.440 207 Q N -0.765 119.035 119.800 -0.000 0.000 2.297 207 Q HA 0.179 4.521 4.340 0.003 0.000 0.203 207 Q C 0.920 176.920 176.000 -0.000 0.000 0.931 207 Q CA 0.428 56.231 55.803 -0.000 0.000 0.885 207 Q CB 0.659 29.397 28.738 0.000 0.000 0.991 207 Q HN 0.363 8.633 8.270 -0.000 0.000 0.498 208 G N 1.125 109.925 108.800 -0.000 0.000 2.542 208 G HA2 -0.272 3.690 3.960 0.003 0.000 0.235 208 G HA3 -0.272 3.690 3.960 0.003 0.000 0.235 208 G C -0.420 174.480 174.900 -0.000 0.000 1.286 208 G CA -0.493 44.606 45.100 -0.001 0.000 0.904 208 G HN 0.154 8.444 8.290 -0.000 0.000 0.577 209 L N 0.551 121.774 121.223 -0.000 0.000 2.475 209 L HA 0.617 4.959 4.340 0.003 0.000 0.253 209 L C 0.944 177.814 176.870 0.000 0.000 1.198 209 L CA 0.617 55.457 54.840 -0.000 0.000 0.814 209 L CB 0.736 42.795 42.059 -0.000 0.000 1.134 209 L HN 1.207 9.437 8.230 -0.000 0.000 0.478 210 E N 0.000 120.200 120.200 0.000 0.000 2.725 210 E HA 0.000 4.352 4.350 0.003 0.000 0.291 210 E CA 0.000 56.400 56.400 0.000 0.000 0.976 210 E CB 0.000 29.700 29.700 0.000 0.000 0.812 210 E HN 0.000 8.360 8.360 -0.000 0.000 0.440