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 2x9g_1_A DATA FIRST_RESID 2 DATA SEQUENCE EAPAAVVTGA AKRIGRAIAV KLHQTGYRVV IHYHNSAEAA VSLADELNKE DATA SEQUENCE RSNTAVVCQA DLTNSNVLPA SCEEIINSCF RAFGRCDVLV NNASAFYPTP DATA SEQUENCE LVQXXXXXXX XGKTVETQVA ELIGTNAIAP FLLTMSFAQR QXXXXXXXXS DATA SEQUENCE SNLSIVNLCD AMVDQPCMAF SLYNMGKHAL VGLTQSAALE LAPYGIRVNG DATA SEQUENCE VAPGVSLLPV AMGEEEKDKW RRKVPLGRRE ASAEQIADAV IFLVSGSAQY DATA SEQUENCE ITGSIIKVDG GLSLVHA 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 2 E HA 0.000 4.314 4.350 -0.060 0.000 0.291 2 E C 0.000 176.535 176.600 -0.109 0.000 1.382 2 E CA 0.000 56.361 56.400 -0.066 0.000 0.976 2 E CB 0.000 29.674 29.700 -0.044 0.000 0.812 3 A N 2.987 125.728 122.820 -0.131 0.000 2.340 3 A HA 0.325 4.508 4.320 -0.229 0.000 0.268 3 A C -2.169 175.274 177.584 -0.234 0.000 1.100 3 A CA -1.400 50.511 52.037 -0.209 0.000 0.803 3 A CB 0.114 18.977 19.000 -0.229 0.000 1.043 3 A HN 0.138 8.222 8.150 -0.110 0.000 0.488 4 P HA 0.042 4.456 4.420 -0.173 -0.098 0.274 4 P C -1.988 175.202 177.300 -0.185 0.000 1.256 4 P CA -0.469 62.461 63.100 -0.284 0.000 0.795 4 P CB 1.244 32.655 31.700 -0.482 0.000 1.038 5 A N -2.980 119.845 122.820 0.008 0.000 2.435 5 A HA 0.905 5.412 4.320 -0.024 -0.201 0.304 5 A C -2.124 175.578 177.584 0.197 0.000 1.064 5 A CA -1.887 50.175 52.037 0.042 0.000 0.727 5 A CB 3.889 22.882 19.000 -0.013 0.000 1.284 5 A HN 0.177 8.662 8.150 0.030 -0.317 0.415 6 A N 0.795 123.707 122.820 0.153 0.000 2.414 6 A HA 0.983 5.560 4.320 0.097 -0.199 0.306 6 A C -2.225 175.418 177.584 0.098 0.000 1.054 6 A CA -1.859 50.225 52.037 0.079 0.000 0.724 6 A CB 3.798 22.729 19.000 -0.116 0.000 1.267 6 A HN 0.584 8.801 8.150 0.112 0.000 0.418 7 V N 2.132 122.098 119.914 0.086 0.000 2.394 7 V HA 0.329 4.654 4.120 0.126 -0.130 0.282 7 V C -1.451 174.667 176.094 0.040 0.000 1.031 7 V CA -1.195 61.160 62.300 0.092 0.000 0.881 7 V CB 1.499 33.383 31.823 0.101 0.000 0.982 7 V HN 0.258 8.496 8.190 0.080 0.000 0.451 8 V N 8.163 128.117 119.914 0.067 0.000 2.407 8 V HA 0.402 4.676 4.120 0.013 -0.146 0.291 8 V C -0.269 175.895 176.094 0.117 0.000 1.018 8 V CA -2.067 60.263 62.300 0.051 0.000 0.842 8 V CB 1.657 33.502 31.823 0.036 0.000 0.996 8 V HN 0.455 8.706 8.190 0.102 0.000 0.426 9 T N 2.873 117.480 114.554 0.088 0.000 2.910 9 T HA 0.161 4.714 4.350 0.339 0.000 0.293 9 T C 1.282 176.144 174.700 0.269 0.000 1.015 9 T CA -1.244 60.967 62.100 0.186 0.000 1.094 9 T CB 0.922 69.752 68.868 -0.063 0.000 0.968 9 T HN 0.010 8.270 8.240 0.033 0.000 0.521 10 G N 2.117 111.213 108.800 0.494 0.000 2.338 10 G HA2 -0.414 3.670 3.960 0.207 0.000 0.296 10 G HA3 -0.414 3.677 3.960 0.217 0.000 0.296 10 G C -0.445 174.539 174.900 0.140 0.000 1.040 10 G CA 0.862 46.108 45.100 0.243 0.000 1.004 10 G HN 0.363 9.296 8.290 1.072 0.000 0.509 11 A N -2.291 120.610 122.820 0.134 0.000 2.387 11 A HA 0.157 4.418 4.320 0.067 0.100 0.234 11 A C -0.112 177.502 177.584 0.050 0.000 1.253 11 A CA 0.075 52.163 52.037 0.084 0.000 0.894 11 A CB -0.114 18.942 19.000 0.093 0.000 0.963 11 A HN 0.096 8.340 8.150 0.158 0.000 0.508 12 A N -2.615 120.232 122.820 0.046 0.000 1.968 12 A HA -0.181 4.126 4.320 -0.020 0.000 0.217 12 A C -0.404 177.174 177.584 -0.010 0.000 1.169 12 A CA 1.555 53.590 52.037 -0.003 0.000 0.638 12 A CB 0.046 19.031 19.000 -0.024 0.000 0.812 12 A HN 0.381 8.517 8.150 0.068 0.055 0.446 13 K N -5.194 115.210 120.400 0.006 0.000 2.495 13 K HA 0.256 4.570 4.320 -0.010 0.000 0.268 13 K C -0.840 175.759 176.600 -0.001 0.000 1.008 13 K CA -1.699 54.586 56.287 -0.002 0.000 0.882 13 K CB 3.116 35.617 32.500 0.001 0.000 1.443 13 K HN -0.531 7.695 8.250 0.020 0.036 0.447 14 R N -1.837 118.658 120.500 -0.009 0.000 3.895 14 R HA -0.452 3.876 4.340 -0.021 0.000 0.431 14 R C 1.190 177.479 176.300 -0.018 0.000 0.241 14 R CA 2.169 58.259 56.100 -0.017 0.000 1.369 14 R CB -1.674 28.613 30.300 -0.021 0.000 1.017 14 R HN 0.331 8.594 8.270 -0.011 0.000 0.556 15 I N 0.238 120.793 120.570 -0.025 0.000 2.315 15 I HA -0.324 3.830 4.170 -0.027 0.000 0.248 15 I C 1.532 177.642 176.117 -0.013 0.000 1.117 15 I CA 3.407 64.692 61.300 -0.026 0.000 1.404 15 I CB -0.312 37.664 38.000 -0.041 0.000 1.071 15 I HN 0.126 8.317 8.210 -0.031 0.000 0.419 16 G N -1.494 107.306 108.800 0.001 0.000 2.418 16 G HA2 -0.388 3.772 3.960 0.032 0.000 0.217 16 G HA3 -0.388 3.578 3.960 0.010 0.000 0.217 16 G C 0.444 175.353 174.900 0.014 0.000 1.158 16 G CA 1.973 47.082 45.100 0.015 0.000 0.771 16 G HN 0.057 8.348 8.290 0.002 0.000 0.545 17 R N 2.405 122.910 120.500 0.009 0.000 2.083 17 R HA -0.296 4.159 4.340 0.006 -0.111 0.237 17 R C 1.986 178.285 176.300 -0.002 0.000 1.137 17 R CA 3.112 59.214 56.100 0.002 0.000 0.951 17 R CB -0.138 30.159 30.300 -0.006 0.000 0.851 17 R HN -0.497 7.679 8.270 0.008 0.099 0.434 18 A N -0.868 121.949 122.820 -0.005 0.000 1.908 18 A HA -0.254 4.064 4.320 -0.003 0.000 0.218 18 A C 2.405 179.987 177.584 -0.004 0.000 1.181 18 A CA 2.956 54.990 52.037 -0.005 0.000 0.627 18 A CB -0.872 18.122 19.000 -0.010 0.000 0.818 18 A HN -0.510 7.635 8.150 -0.007 0.000 0.445 19 I N -1.391 119.173 120.570 -0.010 0.000 2.179 19 I HA -0.616 3.540 4.170 -0.023 0.000 0.242 19 I C 1.512 177.618 176.117 -0.017 0.000 1.088 19 I CA 4.197 65.485 61.300 -0.020 0.000 1.357 19 I CB -0.144 37.838 38.000 -0.030 0.000 1.051 19 I HN -0.254 7.950 8.210 -0.010 0.000 0.409 20 A N 0.047 122.866 122.820 -0.001 0.000 1.908 20 A HA -0.320 4.006 4.320 0.010 0.000 0.218 20 A C 2.158 179.768 177.584 0.044 0.000 1.181 20 A CA 3.475 55.523 52.037 0.018 0.000 0.627 20 A CB -0.887 18.129 19.000 0.027 0.000 0.818 20 A HN -0.065 8.086 8.150 0.002 0.000 0.445 21 V N -1.324 118.608 119.914 0.029 0.000 2.343 21 V HA -0.523 3.627 4.120 0.049 0.000 0.247 21 V C 1.911 178.053 176.094 0.081 0.000 1.051 21 V CA 4.656 66.984 62.300 0.047 0.000 1.036 21 V CB -0.865 30.969 31.823 0.018 0.000 0.654 21 V HN 0.089 8.288 8.190 0.015 0.000 0.451 22 K N 0.210 120.637 120.400 0.045 0.000 2.057 22 K HA -0.211 4.298 4.320 0.054 -0.156 0.206 22 K C 2.807 179.439 176.600 0.053 0.000 1.050 22 K CA 3.055 59.368 56.287 0.043 0.000 0.935 22 K CB -0.129 32.384 32.500 0.021 0.000 0.715 22 K HN -0.560 7.706 8.250 0.027 0.000 0.439 23 L N -1.612 119.623 121.223 0.019 0.000 2.042 23 L HA -0.487 3.845 4.340 -0.013 0.000 0.210 23 L C 1.864 178.827 176.870 0.154 0.000 1.076 23 L CA 3.433 58.272 54.840 -0.002 0.000 0.749 23 L CB -0.373 41.569 42.059 -0.195 0.000 0.893 23 L HN -0.032 8.198 8.230 -0.001 0.000 0.432 24 H N 0.256 119.357 119.070 0.051 0.000 2.353 24 H HA -0.220 4.606 4.556 0.067 -0.230 0.300 24 H C 3.351 178.708 175.328 0.048 0.000 1.090 24 H CA 3.810 59.889 56.048 0.052 0.000 1.327 24 H CB 0.281 30.056 29.762 0.022 0.000 1.383 24 H HN -0.143 8.262 8.280 0.208 0.000 0.508 25 Q N -0.823 119.046 119.800 0.115 0.000 2.226 25 Q HA -0.244 4.125 4.340 0.049 0.000 0.204 25 Q C 1.663 177.671 176.000 0.014 0.000 0.975 25 Q CA 2.578 58.416 55.803 0.058 0.000 0.866 25 Q CB 0.017 28.801 28.738 0.076 0.000 0.915 25 Q HN -0.033 8.337 8.270 0.168 0.000 0.440 26 T N -2.206 112.379 114.554 0.053 0.000 3.088 26 T HA -0.080 4.296 4.350 0.043 0.000 0.259 26 T C 0.243 174.945 174.700 0.002 0.000 1.122 26 T CA 1.368 63.511 62.100 0.071 0.000 1.095 26 T CB 0.365 69.338 68.868 0.175 0.000 0.930 26 T HN -0.424 7.723 8.240 0.085 0.144 0.508 27 G N -1.435 107.324 108.800 -0.068 0.000 2.205 27 G HA2 -0.300 3.541 3.960 -0.198 0.000 0.180 27 G HA3 -0.300 3.521 3.960 -0.232 0.000 0.180 27 G C -0.673 174.069 174.900 -0.264 0.000 1.004 27 G CA -0.413 44.568 45.100 -0.197 0.000 0.670 27 G HN -0.695 7.387 8.290 -0.060 0.172 0.496 28 Y N 0.592 120.774 120.300 -0.197 0.000 2.336 28 Y HA -0.108 4.488 4.550 -0.191 -0.160 0.331 28 Y C 0.466 176.209 175.900 -0.261 0.000 1.211 28 Y CA 1.288 59.273 58.100 -0.191 0.000 1.346 28 Y CB 0.670 39.063 38.460 -0.112 0.000 1.271 28 Y HN -0.547 7.836 8.280 0.171 0.000 0.538 29 R N 0.560 120.925 120.500 -0.226 0.000 2.441 29 R HA 0.426 4.720 4.340 -0.328 -0.151 0.284 29 R C -0.943 175.168 176.300 -0.315 0.000 1.070 29 R CA 0.161 55.954 56.100 -0.513 0.000 1.047 29 R CB 1.176 30.697 30.300 -1.299 0.000 1.016 29 R HN 0.197 8.311 8.270 -0.260 0.000 0.477 30 V N -2.540 117.313 119.914 -0.101 0.000 2.789 30 V HA 0.948 5.337 4.120 0.117 -0.198 0.311 30 V C -2.087 174.223 176.094 0.359 0.000 1.073 30 V CA -2.946 59.437 62.300 0.138 0.000 0.921 30 V CB 3.343 35.246 31.823 0.135 0.000 1.009 30 V HN 0.501 8.641 8.190 -0.082 0.000 0.426 31 V N 4.779 124.889 119.914 0.327 0.000 2.364 31 V HA 0.305 4.775 4.120 0.288 -0.177 0.272 31 V C -0.784 175.429 176.094 0.198 0.000 1.036 31 V CA -1.427 61.037 62.300 0.274 0.000 0.880 31 V CB 0.262 32.222 31.823 0.229 0.000 0.991 31 V HN 0.457 8.809 8.190 0.270 0.000 0.460 32 I N 8.089 128.769 120.570 0.184 0.000 2.269 32 I HA 0.063 4.324 4.170 0.152 0.000 0.293 32 I C -1.288 174.960 176.117 0.219 0.000 1.106 32 I CA -0.721 60.678 61.300 0.166 0.000 1.248 32 I CB -0.708 37.362 38.000 0.116 0.000 1.444 32 I HN 0.647 8.969 8.210 0.186 0.000 0.497 33 H N 9.713 128.869 119.070 0.143 0.000 2.629 33 H HA 0.654 5.526 4.556 0.114 -0.248 0.357 33 H C -1.558 173.891 175.328 0.203 0.000 1.121 33 H CA -1.065 55.057 56.048 0.122 0.000 1.406 33 H CB 2.343 32.136 29.762 0.051 0.000 1.456 33 H HN -0.233 8.215 8.280 0.279 0.000 0.579 34 Y N 1.010 120.726 120.300 -0.974 0.000 2.655 34 Y HA 0.367 4.611 4.550 -0.511 0.000 0.336 34 Y C -2.026 173.573 175.900 -0.501 0.000 1.154 34 Y CA -1.649 56.090 58.100 -0.602 0.000 1.055 34 Y CB 1.649 39.980 38.460 -0.214 0.000 1.295 34 Y HN 0.103 7.723 8.280 -1.100 0.000 0.465 35 H N 0.713 119.659 119.070 -0.206 0.000 2.329 35 H HA 0.167 4.580 4.556 -0.238 0.000 0.285 35 H C -0.419 174.949 175.328 0.067 0.000 1.062 35 H CA 0.971 56.954 56.048 -0.108 0.000 1.511 35 H CB 1.897 31.676 29.762 0.029 0.000 1.471 35 H HN 0.341 8.712 8.280 0.151 0.000 0.613 36 N N -0.990 117.665 118.700 -0.075 0.000 2.322 36 N HA 0.021 4.682 4.740 -0.131 0.000 0.181 36 N C -0.140 175.407 175.510 0.062 0.000 1.088 36 N CA 0.978 53.969 53.050 -0.098 0.000 0.885 36 N CB 0.647 39.014 38.487 -0.199 0.000 1.013 36 N HN 0.008 8.396 8.380 0.014 0.000 0.472 37 S N 1.737 117.510 115.700 0.121 0.000 3.812 37 S HA 0.326 4.773 4.470 -0.037 0.000 0.195 37 S C -0.392 174.055 174.600 -0.255 0.000 1.460 37 S CA -0.566 57.619 58.200 -0.025 0.000 1.052 37 S CB -1.584 61.609 63.200 -0.011 0.000 1.385 37 S HN -0.178 8.256 8.310 0.207 0.000 0.490 38 A N 3.674 126.327 122.820 -0.278 0.000 1.877 38 A HA -0.319 3.193 4.320 -1.347 0.000 0.216 38 A C 1.088 178.428 177.584 -0.407 0.000 1.186 38 A CA 3.499 55.189 52.037 -0.578 0.000 0.620 38 A CB -0.255 18.644 19.000 -0.168 0.000 0.822 38 A HN -0.277 7.754 8.150 -0.101 0.059 0.443 39 E N -0.705 119.368 120.200 -0.213 0.000 2.085 39 E HA -0.346 3.920 4.350 -0.140 0.000 0.194 39 E C 1.724 178.231 176.600 -0.155 0.000 0.994 39 E CA 2.993 59.304 56.400 -0.149 0.000 0.801 39 E CB -0.374 29.271 29.700 -0.091 0.000 0.743 39 E HN 0.305 8.565 8.360 -0.167 0.000 0.453 40 A N -1.655 121.072 122.820 -0.156 0.000 1.902 40 A HA -0.167 4.094 4.320 -0.099 0.000 0.217 40 A C 2.023 179.513 177.584 -0.156 0.000 1.181 40 A CA 2.529 54.490 52.037 -0.127 0.000 0.623 40 A CB -0.974 17.971 19.000 -0.091 0.000 0.818 40 A HN 0.101 8.159 8.150 -0.153 0.000 0.443 41 A N -1.266 121.394 122.820 -0.267 0.000 1.877 41 A HA -0.375 3.851 4.320 -0.157 0.000 0.216 41 A C 1.797 179.265 177.584 -0.192 0.000 1.186 41 A CA 3.029 54.906 52.037 -0.266 0.000 0.620 41 A CB -0.457 18.205 19.000 -0.562 0.000 0.822 41 A HN -0.405 7.536 8.150 -0.348 0.000 0.443 42 V N -1.757 118.021 119.914 -0.226 0.000 2.407 42 V HA -0.515 3.544 4.120 -0.101 0.000 0.248 42 V C 1.659 177.700 176.094 -0.089 0.000 1.055 42 V CA 5.055 67.277 62.300 -0.130 0.000 1.049 42 V CB -0.503 31.245 31.823 -0.124 0.000 0.662 42 V HN -0.139 7.869 8.190 -0.303 0.000 0.455 43 S N 0.576 116.220 115.700 -0.093 0.000 2.368 43 S HA -0.251 4.185 4.470 -0.057 0.000 0.225 43 S C 2.085 176.648 174.600 -0.062 0.000 1.030 43 S CA 3.331 61.491 58.200 -0.067 0.000 0.999 43 S CB -0.443 62.718 63.200 -0.064 0.000 0.844 43 S HN -0.431 7.811 8.310 -0.112 0.000 0.459 44 L N 1.429 122.611 121.223 -0.069 0.000 2.017 44 L HA -0.286 4.016 4.340 -0.064 0.000 0.208 44 L C 1.072 177.899 176.870 -0.071 0.000 1.073 44 L CA 2.890 57.691 54.840 -0.065 0.000 0.745 44 L CB -0.603 41.422 42.059 -0.056 0.000 0.894 44 L HN -0.466 7.717 8.230 -0.079 0.000 0.432 45 A N -1.524 121.263 122.820 -0.054 0.000 1.908 45 A HA -0.463 3.831 4.320 -0.043 0.000 0.218 45 A C 1.690 179.249 177.584 -0.042 0.000 1.181 45 A CA 3.402 55.417 52.037 -0.036 0.000 0.627 45 A CB -0.975 18.024 19.000 -0.000 0.000 0.818 45 A HN -0.071 8.046 8.150 -0.055 0.000 0.445 46 D N -1.935 118.442 120.400 -0.039 0.000 2.123 46 D HA -0.347 4.282 4.640 -0.018 0.000 0.196 46 D C 2.632 178.908 176.300 -0.039 0.000 0.992 46 D CA 3.438 57.420 54.000 -0.030 0.000 0.833 46 D CB -0.672 40.111 40.800 -0.029 0.000 0.954 46 D HN -0.216 8.128 8.370 -0.044 0.000 0.455 47 E N -0.044 120.122 120.200 -0.056 0.000 2.077 47 E HA -0.297 4.028 4.350 -0.042 0.000 0.193 47 E C 2.785 179.328 176.600 -0.094 0.000 0.989 47 E CA 2.872 59.235 56.400 -0.061 0.000 0.800 47 E CB 0.067 29.730 29.700 -0.063 0.000 0.746 47 E HN -0.691 7.634 8.360 -0.058 0.000 0.452 48 L N -1.215 119.903 121.223 -0.175 0.000 2.093 48 L HA -0.366 3.720 4.340 -0.423 0.000 0.208 48 L C 2.118 178.891 176.870 -0.162 0.000 1.085 48 L CA 3.057 57.666 54.840 -0.384 0.000 0.755 48 L CB -0.465 41.187 42.059 -0.678 0.000 0.904 48 L HN -0.141 7.996 8.230 -0.155 0.000 0.435 49 N N -1.276 117.392 118.700 -0.054 0.000 2.309 49 N HA -0.190 4.801 4.740 0.077 -0.205 0.182 49 N C 2.339 177.870 175.510 0.036 0.000 1.018 49 N CA 2.353 55.423 53.050 0.033 0.000 0.876 49 N CB -0.196 38.315 38.487 0.039 0.000 0.972 49 N HN -0.104 8.236 8.380 -0.067 0.000 0.434 50 K N -0.282 120.124 120.400 0.011 0.000 2.097 50 K HA -0.201 4.131 4.320 0.021 0.000 0.205 50 K C 1.924 178.545 176.600 0.035 0.000 1.050 50 K CA 2.048 58.345 56.287 0.017 0.000 0.938 50 K CB -0.508 31.994 32.500 0.003 0.000 0.718 50 K HN -0.402 7.822 8.250 -0.009 0.021 0.442 51 E N 0.148 120.378 120.200 0.049 0.000 2.047 51 E HA -0.161 4.228 4.350 0.064 0.000 0.191 51 E C 0.910 177.574 176.600 0.106 0.000 0.987 51 E CA 1.841 58.295 56.400 0.089 0.000 0.799 51 E CB 0.770 30.558 29.700 0.146 0.000 0.752 51 E HN -0.521 7.857 8.360 0.029 0.000 0.449 52 R N -2.013 118.575 120.500 0.146 0.000 2.510 52 R HA 0.277 4.660 4.340 0.070 0.000 0.294 52 R C -1.780 174.585 176.300 0.109 0.000 1.056 52 R CA -1.117 55.048 56.100 0.109 0.000 0.918 52 R CB 2.684 33.028 30.300 0.073 0.000 1.187 52 R HN -0.394 7.979 8.270 0.171 0.000 0.437 53 S N 4.695 120.439 115.700 0.073 0.000 2.552 53 S HA -0.137 4.498 4.470 0.074 -0.120 0.289 53 S C 0.325 174.984 174.600 0.097 0.000 1.304 53 S CA 0.873 59.118 58.200 0.074 0.000 1.063 53 S CB 0.119 63.351 63.200 0.053 0.000 0.848 53 S HN 0.394 8.739 8.310 0.058 0.000 0.499 54 N N -0.553 118.219 118.700 0.119 0.000 2.738 54 N HA -0.323 4.519 4.740 0.171 0.000 0.249 54 N C -0.532 175.131 175.510 0.255 0.000 1.047 54 N CA 1.371 54.523 53.050 0.170 0.000 0.707 54 N CB -0.929 37.642 38.487 0.141 0.000 0.937 54 N HN 0.387 8.830 8.380 0.104 0.000 0.545 55 T N -8.170 106.521 114.554 0.228 0.000 3.091 55 T HA 0.130 4.516 4.350 0.060 0.000 0.277 55 T C -2.119 172.718 174.700 0.228 0.000 0.996 55 T CA -0.391 61.807 62.100 0.164 0.000 0.897 55 T CB 1.439 70.402 68.868 0.157 0.000 1.109 55 T HN -0.026 8.581 8.240 0.201 -0.247 0.534 56 A N 1.195 124.215 122.820 0.334 0.000 2.455 56 A HA 0.979 5.748 4.320 0.374 -0.224 0.300 56 A C -1.953 175.805 177.584 0.290 0.000 1.040 56 A CA -0.871 51.345 52.037 0.299 0.000 0.697 56 A CB 2.996 22.051 19.000 0.091 0.000 1.265 56 A HN -0.566 7.947 8.150 0.308 -0.179 0.407 57 V N -1.935 118.145 119.914 0.277 0.000 3.040 57 V HA 0.622 4.802 4.120 0.100 0.000 0.312 57 V C -2.053 174.120 176.094 0.133 0.000 1.115 57 V CA -2.766 59.611 62.300 0.128 0.000 0.998 57 V CB 3.759 35.580 31.823 -0.003 0.000 1.042 57 V HN 0.453 8.858 8.190 0.359 0.000 0.433 58 V N -0.998 118.986 119.914 0.117 0.000 2.837 58 V HA 0.758 5.178 4.120 0.195 -0.183 0.310 58 V C -1.136 175.067 176.094 0.182 0.000 1.059 58 V CA -3.387 59.024 62.300 0.185 0.000 1.004 58 V CB 1.551 33.500 31.823 0.211 0.000 1.045 58 V HN 0.074 8.321 8.190 0.094 0.000 0.465 59 C N 4.364 123.784 119.300 0.200 0.000 2.599 59 C HA 0.290 4.793 4.460 0.071 0.000 0.354 59 C C -2.173 172.741 174.990 -0.127 0.000 1.092 59 C CA -0.325 58.744 59.018 0.085 0.000 1.280 59 C CB 2.081 29.891 27.740 0.117 0.000 1.829 59 C HN 0.545 8.930 8.230 0.259 0.000 0.454 60 Q N 7.098 126.719 119.800 -0.298 0.000 2.243 60 Q HA 0.785 4.599 4.340 -1.230 -0.212 0.252 60 Q C -1.439 174.445 176.000 -0.193 0.000 0.909 60 Q CA -0.490 54.907 55.803 -0.675 0.000 0.922 60 Q CB 1.907 30.283 28.738 -0.604 0.000 1.215 60 Q HN 0.341 8.524 8.270 -0.145 0.000 0.427 61 A N 5.733 128.508 122.820 -0.075 0.000 2.577 61 A HA 0.183 4.524 4.320 0.036 0.000 0.297 61 A C -2.679 174.982 177.584 0.129 0.000 1.060 61 A CA -0.292 51.800 52.037 0.093 0.000 0.697 61 A CB 3.174 22.241 19.000 0.111 0.000 1.281 61 A HN 0.421 8.441 8.150 -0.216 0.000 0.402 62 D N 0.649 121.046 120.400 -0.005 0.000 2.312 62 D HA -0.003 4.213 4.640 -0.708 0.000 0.252 62 D C -0.304 175.898 176.300 -0.163 0.000 1.150 62 D CA 0.113 53.940 54.000 -0.289 0.000 0.870 62 D CB 0.381 41.078 40.800 -0.172 0.000 1.153 62 D HN 0.203 8.589 8.370 0.028 0.000 0.457 63 L N 4.653 125.761 121.223 -0.193 0.000 2.818 63 L HA 0.244 4.531 4.340 -0.087 0.000 0.243 63 L C -0.103 176.724 176.870 -0.071 0.000 1.185 63 L CA -1.449 53.329 54.840 -0.104 0.000 0.988 63 L CB -0.138 41.865 42.059 -0.094 0.000 1.292 63 L HN 0.237 8.292 8.230 -0.291 0.000 0.519 64 T N 0.921 115.425 114.554 -0.084 0.000 2.940 64 T HA -0.280 4.172 4.350 -0.008 -0.108 0.309 64 T C -0.154 174.539 174.700 -0.010 0.000 1.056 64 T CA 2.123 64.207 62.100 -0.027 0.000 1.137 64 T CB 0.488 69.346 68.868 -0.015 0.000 0.976 64 T HN -0.715 7.653 8.240 -0.140 -0.212 0.547 65 N N 5.557 124.261 118.700 0.006 0.000 2.492 65 N HA -0.141 4.606 4.740 0.012 0.000 0.262 65 N C -0.743 174.775 175.510 0.012 0.000 1.202 65 N CA 1.279 54.336 53.050 0.011 0.000 0.926 65 N CB 0.958 39.453 38.487 0.013 0.000 1.078 65 N HN 0.076 8.356 8.380 0.012 0.107 0.454 66 S N 2.312 118.020 115.700 0.013 0.000 2.643 66 S HA 0.108 4.586 4.470 0.014 0.000 0.266 66 S C -0.144 174.465 174.600 0.015 0.000 1.130 66 S CA -0.136 58.072 58.200 0.013 0.000 0.817 66 S CB 2.038 65.245 63.200 0.012 0.000 1.107 66 S HN -0.202 8.117 8.310 0.015 0.000 0.471 67 N N 0.149 118.858 118.700 0.014 0.000 2.512 67 N HA 0.011 4.761 4.740 0.017 0.000 0.183 67 N C 0.944 176.461 175.510 0.012 0.000 1.073 67 N CA 1.920 54.978 53.050 0.014 0.000 0.911 67 N CB -0.578 37.916 38.487 0.012 0.000 0.964 67 N HN 0.461 8.849 8.380 0.013 0.000 0.447 68 V N -5.001 114.919 119.914 0.010 0.000 3.647 68 V HA 0.229 4.352 4.120 0.006 0.000 0.279 68 V C 0.573 176.669 176.094 0.004 0.000 1.314 68 V CA -0.263 62.041 62.300 0.006 0.000 1.125 68 V CB 0.342 32.169 31.823 0.006 0.000 0.907 68 V HN -0.592 7.565 8.190 0.010 0.039 0.434 69 L N 2.649 123.875 121.223 0.006 0.000 2.043 69 L HA -0.152 4.184 4.340 -0.007 0.000 0.212 69 L C -1.419 175.451 176.870 0.000 0.000 1.075 69 L CA 4.832 59.673 54.840 0.002 0.000 0.752 69 L CB -2.621 39.443 42.059 0.008 0.000 0.891 69 L HN -0.696 7.384 8.230 0.009 0.156 0.432 70 P HA -0.305 4.109 4.420 -0.010 0.000 0.215 70 P C 0.998 178.289 177.300 -0.016 0.000 1.153 70 P CA 3.379 66.476 63.100 -0.004 0.000 0.853 70 P CB -0.993 30.711 31.700 0.006 0.000 0.788 71 A N -4.111 118.703 122.820 -0.010 0.000 1.930 71 A HA -0.314 3.997 4.320 -0.016 0.000 0.217 71 A C 1.917 179.495 177.584 -0.011 0.000 1.175 71 A CA 3.118 55.148 52.037 -0.011 0.000 0.627 71 A CB -0.835 18.160 19.000 -0.007 0.000 0.815 71 A HN -0.385 7.762 8.150 -0.004 0.000 0.443 72 S N -0.554 115.139 115.700 -0.010 0.000 2.368 72 S HA -0.361 4.106 4.470 -0.006 0.000 0.225 72 S C 1.701 176.289 174.600 -0.020 0.000 1.030 72 S CA 4.493 62.685 58.200 -0.012 0.000 0.999 72 S CB -0.416 62.775 63.200 -0.015 0.000 0.844 72 S HN -0.400 7.905 8.310 -0.009 0.000 0.459 73 C N 2.130 121.412 119.300 -0.030 0.000 2.440 73 C HA -0.277 4.151 4.460 -0.053 0.000 0.278 73 C C 1.306 176.285 174.990 -0.019 0.000 1.295 73 C CA 3.864 62.859 59.018 -0.039 0.000 1.738 73 C CB -1.823 25.888 27.740 -0.048 0.000 1.987 73 C HN 0.106 8.319 8.230 -0.027 0.000 0.492 74 E N 0.552 120.740 120.200 -0.020 0.000 2.085 74 E HA -0.479 3.864 4.350 -0.012 0.000 0.194 74 E C 1.766 178.370 176.600 0.006 0.000 0.994 74 E CA 3.492 59.884 56.400 -0.014 0.000 0.801 74 E CB -0.196 29.486 29.700 -0.029 0.000 0.743 74 E HN -0.143 8.202 8.360 -0.025 0.000 0.453 75 E N -0.444 119.758 120.200 0.004 0.000 2.106 75 E HA -0.236 4.124 4.350 0.016 0.000 0.192 75 E C 2.411 179.032 176.600 0.035 0.000 0.984 75 E CA 2.257 58.667 56.400 0.016 0.000 0.806 75 E CB -0.617 29.088 29.700 0.009 0.000 0.750 75 E HN -0.498 7.770 8.360 -0.003 0.090 0.458 76 I N -0.131 120.457 120.570 0.031 0.000 2.163 76 I HA -0.438 3.768 4.170 0.060 0.000 0.243 76 I C 2.109 178.279 176.117 0.087 0.000 1.085 76 I CA 4.059 65.389 61.300 0.049 0.000 1.347 76 I CB -0.006 37.997 38.000 0.005 0.000 1.044 76 I HN -0.450 7.769 8.210 0.014 0.000 0.408 77 I N -1.273 119.359 120.570 0.103 0.000 2.252 77 I HA -0.423 3.868 4.170 0.203 0.000 0.245 77 I C 2.098 178.367 176.117 0.254 0.000 1.102 77 I CA 1.158 62.572 61.300 0.191 0.000 1.385 77 I CB -1.587 36.530 38.000 0.195 0.000 1.064 77 I HN -0.617 7.637 8.210 0.075 0.000 0.414 78 N N 0.428 119.221 118.700 0.154 0.000 2.205 78 N HA -0.313 4.538 4.740 0.186 0.000 0.186 78 N C 2.755 178.351 175.510 0.143 0.000 1.015 78 N CA 3.208 56.344 53.050 0.144 0.000 0.862 78 N CB -0.648 37.866 38.487 0.044 0.000 0.986 78 N HN 0.079 8.519 8.380 0.100 0.000 0.429 79 S N 1.049 116.803 115.700 0.091 0.000 2.402 79 S HA -0.163 4.316 4.470 0.014 0.000 0.229 79 S C 1.511 176.112 174.600 0.001 0.000 1.021 79 S CA 3.707 61.928 58.200 0.035 0.000 0.974 79 S CB -0.601 62.618 63.200 0.032 0.000 0.800 79 S HN -0.053 8.196 8.310 0.089 0.114 0.484 80 C N 3.287 122.624 119.300 0.062 0.000 2.446 80 C HA -0.354 4.114 4.460 0.013 0.000 0.277 80 C C 1.443 176.404 174.990 -0.049 0.000 1.275 80 C CA 3.332 62.366 59.018 0.027 0.000 1.727 80 C CB -2.284 25.492 27.740 0.060 0.000 2.010 80 C HN -0.583 7.713 8.230 0.111 0.000 0.486 81 F N -0.595 119.369 119.950 0.023 0.000 2.171 81 F HA -0.391 4.163 4.527 0.044 0.000 0.300 81 F C 2.559 178.340 175.800 -0.031 0.000 1.090 81 F CA 4.222 62.228 58.000 0.010 0.000 1.293 81 F CB -0.531 38.463 39.000 -0.009 0.000 1.013 81 F HN -0.588 7.891 8.300 0.299 0.000 0.486 82 R N -0.365 120.199 120.500 0.106 0.000 2.091 82 R HA -0.382 3.979 4.340 0.036 0.000 0.238 82 R C 1.600 177.836 176.300 -0.106 0.000 1.136 82 R CA 2.995 59.098 56.100 0.004 0.000 0.959 82 R CB -0.112 30.178 30.300 -0.016 0.000 0.856 82 R HN 0.151 8.498 8.270 0.129 0.000 0.437 83 A N -3.143 119.501 122.820 -0.293 0.000 1.930 83 A HA -0.091 3.988 4.320 -0.403 0.000 0.215 83 A C 0.915 178.204 177.584 -0.492 0.000 1.176 83 A CA 2.223 53.895 52.037 -0.608 0.000 0.632 83 A CB 0.659 18.896 19.000 -1.273 0.000 0.819 83 A HN -0.414 7.566 8.150 -0.282 0.000 0.445 84 F N -5.566 114.384 119.950 -0.001 0.000 2.817 84 F HA 0.158 4.680 4.527 -0.009 0.000 0.333 84 F C 0.707 176.481 175.800 -0.044 0.000 1.085 84 F CA -0.023 57.961 58.000 -0.026 0.000 1.170 84 F CB 2.153 41.124 39.000 -0.047 0.000 1.066 84 F HN -0.419 7.776 8.300 -0.176 0.000 0.564 85 G N -0.818 108.046 108.800 0.107 0.000 2.162 85 G HA2 -0.392 3.635 3.960 0.111 0.000 0.260 85 G HA3 -0.392 3.756 3.960 0.179 -0.081 0.260 85 G C -1.367 173.567 174.900 0.057 0.000 0.976 85 G CA 0.204 45.375 45.100 0.118 0.000 0.655 85 G HN 0.003 8.237 8.290 0.080 0.104 0.533 86 R N -4.874 115.465 120.500 -0.269 0.000 2.728 86 R HA 0.198 4.218 4.340 -0.534 0.000 0.274 86 R C -2.694 173.084 176.300 -0.870 0.000 1.032 86 R CA -0.945 54.848 56.100 -0.511 0.000 0.866 86 R CB 1.872 32.084 30.300 -0.147 0.000 1.263 86 R HN -0.922 7.137 8.270 -0.265 0.052 0.475 87 C N 2.157 120.987 119.300 -0.783 0.000 2.892 87 C HA 0.389 4.726 4.460 -0.204 0.000 0.360 87 C C -1.697 173.258 174.990 -0.058 0.000 1.054 87 C CA -0.078 58.711 59.018 -0.382 0.000 1.326 87 C CB -0.267 27.207 27.740 -0.443 0.000 1.806 87 C HN 0.705 8.553 8.230 -0.637 0.000 0.490 88 D N 6.528 127.002 120.400 0.123 0.000 2.277 88 D HA 0.077 4.836 4.640 0.199 0.000 0.209 88 D C -0.710 175.835 176.300 0.409 0.000 0.970 88 D CA 1.837 55.983 54.000 0.244 0.000 0.874 88 D CB 1.560 42.481 40.800 0.202 0.000 0.982 88 D HN 0.223 8.657 8.370 0.106 0.000 0.504 89 V N -2.959 117.148 119.914 0.321 0.000 2.686 89 V HA 0.885 5.260 4.120 -0.004 -0.257 0.306 89 V C -2.372 173.709 176.094 -0.022 0.000 1.065 89 V CA -1.968 60.371 62.300 0.066 0.000 0.894 89 V CB 3.805 35.579 31.823 -0.080 0.000 1.004 89 V HN -0.674 7.698 8.190 0.303 0.000 0.424 90 L N 7.978 129.020 121.223 -0.301 0.000 2.356 90 L HA 0.643 5.052 4.340 -0.121 -0.142 0.277 90 L C -2.451 174.286 176.870 -0.223 0.000 0.996 90 L CA -1.337 53.343 54.840 -0.267 0.000 0.822 90 L CB 3.565 45.346 42.059 -0.463 0.000 1.256 90 L HN 0.087 8.048 8.230 -0.448 0.000 0.413 91 V N 7.229 127.062 119.914 -0.135 0.000 2.350 91 V HA 0.514 4.772 4.120 -0.127 -0.214 0.285 91 V C -1.500 174.547 176.094 -0.078 0.000 1.014 91 V CA -2.049 60.185 62.300 -0.109 0.000 0.831 91 V CB 0.818 32.587 31.823 -0.089 0.000 1.000 91 V HN 0.845 8.975 8.190 -0.100 0.000 0.433 92 N N 8.548 127.198 118.700 -0.083 0.000 2.602 92 N HA 0.237 4.941 4.740 -0.060 0.000 0.238 92 N C -0.900 174.588 175.510 -0.037 0.000 1.084 92 N CA 0.075 53.088 53.050 -0.062 0.000 0.952 92 N CB -0.419 38.028 38.487 -0.066 0.000 1.244 92 N HN 0.228 8.550 8.380 -0.097 0.000 0.512 93 N N 4.370 123.062 118.700 -0.013 0.000 2.510 93 N HA 0.030 4.765 4.740 -0.008 0.000 0.186 93 N C 0.049 175.579 175.510 0.033 0.000 1.051 93 N CA 0.066 53.119 53.050 0.005 0.000 0.877 93 N CB 1.447 39.941 38.487 0.012 0.000 1.183 93 N HN -0.012 8.363 8.380 -0.008 0.000 0.443 94 A N -0.173 122.683 122.820 0.059 0.000 2.531 94 A HA -0.138 4.252 4.320 0.117 0.000 0.236 94 A C -1.989 175.643 177.584 0.081 0.000 1.062 94 A CA 1.335 53.431 52.037 0.099 0.000 0.760 94 A CB 0.356 19.438 19.000 0.137 0.000 0.995 94 A HN -0.393 7.789 8.150 0.052 0.000 0.501 95 S N 0.065 115.832 115.700 0.111 0.000 2.582 95 S HA 0.006 4.548 4.470 0.121 0.000 0.287 95 S C -1.162 173.548 174.600 0.183 0.000 1.146 95 S CA 0.091 58.372 58.200 0.136 0.000 0.941 95 S CB 1.793 65.076 63.200 0.139 0.000 1.115 95 S HN -0.153 8.232 8.310 0.125 0.000 0.458 96 A N 7.104 130.037 122.820 0.188 0.000 2.354 96 A HA 0.312 4.788 4.320 0.259 0.000 0.269 96 A C -2.046 175.690 177.584 0.253 0.000 1.109 96 A CA 0.151 52.317 52.037 0.215 0.000 0.800 96 A CB 1.278 20.375 19.000 0.162 0.000 1.045 96 A HN 0.230 8.472 8.150 0.153 0.000 0.489 97 F N 2.288 122.260 119.950 0.036 0.000 2.787 97 F HA 0.137 4.607 4.527 -0.095 0.000 0.340 97 F C -2.606 173.262 175.800 0.114 0.000 1.232 97 F CA -0.244 57.733 58.000 -0.040 0.000 1.051 97 F CB 1.861 40.802 39.000 -0.098 0.000 1.330 97 F HN -0.101 8.409 8.300 0.349 0.000 0.522 98 Y N 2.166 122.272 120.300 -0.322 0.000 2.662 98 Y HA 0.279 4.528 4.550 -0.501 0.000 0.334 98 Y C -3.395 172.030 175.900 -0.793 0.000 1.185 98 Y CA -4.267 53.566 58.100 -0.444 0.000 1.074 98 Y CB 0.156 38.491 38.460 -0.208 0.000 1.330 98 Y HN -0.523 7.394 8.280 -0.605 0.000 0.458 99 P HA 0.080 3.567 4.420 -1.671 -0.069 0.277 99 P C -1.320 175.774 177.300 -0.343 0.000 1.240 99 P CA -0.250 62.185 63.100 -1.108 0.000 0.798 99 P CB 1.183 32.301 31.700 -0.970 0.000 0.979 100 T N -1.793 112.597 114.554 -0.273 0.000 3.305 100 T HA 0.346 4.668 4.350 -0.047 0.000 0.348 100 T C -1.859 172.794 174.700 -0.077 0.000 1.394 100 T CA -2.773 59.273 62.100 -0.091 0.000 1.549 100 T CB -0.580 68.267 68.868 -0.034 0.000 0.962 100 T HN 0.412 8.432 8.240 -0.366 0.000 0.609 101 P HA 0.067 4.464 4.420 -0.039 0.000 0.268 101 P C 0.171 177.460 177.300 -0.019 0.000 1.205 101 P CA -0.408 62.667 63.100 -0.042 0.000 0.771 101 P CB 0.633 32.310 31.700 -0.039 0.000 0.858 102 L N 0.353 121.573 121.223 -0.006 0.000 2.156 102 L HA -0.058 4.282 4.340 -0.001 0.000 0.208 102 L C 0.427 177.296 176.870 -0.001 0.000 1.095 102 L CA 1.169 56.009 54.840 -0.000 0.000 0.770 102 L CB 0.213 42.277 42.059 0.007 0.000 0.914 102 L HN 0.130 8.359 8.230 -0.001 0.000 0.439 103 V N -0.586 119.327 119.914 -0.002 0.000 2.555 103 V HA 0.149 4.268 4.120 -0.002 0.000 0.302 103 V C -0.950 175.140 176.094 -0.006 0.000 1.038 103 V CA -0.273 62.026 62.300 -0.002 0.000 0.887 103 V CB 1.255 33.079 31.823 0.001 0.000 0.991 103 V HN -0.489 7.677 8.190 -0.002 0.023 0.434 114 K N 3.702 124.061 120.400 -0.069 0.000 2.382 114 K HA 0.090 4.392 4.320 -0.031 0.000 0.275 114 K C 0.317 176.907 176.600 -0.016 0.000 1.009 114 K CA -0.126 56.136 56.287 -0.043 0.000 0.970 114 K CB 0.720 33.185 32.500 -0.059 0.000 0.934 114 K HN 0.031 8.222 8.250 -0.099 0.000 0.479 115 T N -0.020 114.533 114.554 -0.000 0.000 2.856 115 T HA -0.081 4.270 4.350 0.002 0.000 0.306 115 T C 1.095 175.808 174.700 0.021 0.000 1.062 115 T CA -0.576 61.528 62.100 0.008 0.000 1.083 115 T CB 1.201 70.075 68.868 0.010 0.000 0.984 115 T HN 0.159 8.399 8.240 0.001 0.000 0.542 116 V N 3.449 123.375 119.914 0.019 0.000 2.392 116 V HA -0.358 3.970 4.120 0.037 -0.186 0.249 116 V C 2.309 178.422 176.094 0.033 0.000 1.059 116 V CA 3.692 66.009 62.300 0.028 0.000 1.051 116 V CB -0.538 31.295 31.823 0.016 0.000 0.658 116 V HN 0.346 8.544 8.190 0.013 0.000 0.455 117 E N -0.791 119.424 120.200 0.025 0.000 2.085 117 E HA -0.301 4.063 4.350 0.022 0.000 0.194 117 E C 2.409 179.031 176.600 0.037 0.000 0.994 117 E CA 3.472 59.887 56.400 0.025 0.000 0.801 117 E CB -0.341 29.370 29.700 0.018 0.000 0.743 117 E HN 0.411 8.769 8.360 0.020 0.013 0.453 118 T N 1.979 116.560 114.554 0.044 0.000 2.821 118 T HA -0.339 4.044 4.350 0.055 0.000 0.267 118 T C 1.970 176.732 174.700 0.103 0.000 1.046 118 T CA 4.835 66.972 62.100 0.061 0.000 1.139 118 T CB -0.411 68.488 68.868 0.052 0.000 0.871 118 T HN -0.543 7.719 8.240 0.037 0.000 0.454 119 Q N 1.846 121.718 119.800 0.120 0.000 2.084 119 Q HA -0.214 4.317 4.340 0.319 0.000 0.202 119 Q C 2.766 178.828 176.000 0.104 0.000 0.978 119 Q CA 3.129 59.049 55.803 0.194 0.000 0.844 119 Q CB -0.009 28.851 28.738 0.203 0.000 0.898 119 Q HN -0.436 7.811 8.270 0.092 0.078 0.426 120 V N -0.001 119.950 119.914 0.061 0.000 2.255 120 V HA -0.472 3.660 4.120 0.020 0.000 0.247 120 V C 1.904 178.016 176.094 0.031 0.000 1.051 120 V CA 3.775 66.093 62.300 0.031 0.000 1.018 120 V CB -0.932 30.902 31.823 0.020 0.000 0.641 120 V HN -0.042 8.184 8.190 0.060 0.000 0.445 121 A N -1.420 121.424 122.820 0.041 0.000 1.902 121 A HA -0.347 3.987 4.320 0.023 0.000 0.217 121 A C 2.573 180.182 177.584 0.042 0.000 1.181 121 A CA 3.314 55.373 52.037 0.035 0.000 0.623 121 A CB -0.742 18.280 19.000 0.036 0.000 0.818 121 A HN -0.161 8.016 8.150 0.046 0.000 0.443 122 E N -0.865 119.380 120.200 0.074 0.000 2.028 122 E HA -0.267 4.125 4.350 0.070 0.000 0.190 122 E C 2.720 179.350 176.600 0.050 0.000 0.984 122 E CA 3.046 59.500 56.400 0.091 0.000 0.800 122 E CB 0.113 29.931 29.700 0.197 0.000 0.758 122 E HN -0.384 8.032 8.360 0.093 0.000 0.448 123 L N -1.081 120.147 121.223 0.009 0.000 2.044 123 L HA -0.208 4.116 4.340 -0.026 0.000 0.205 123 L C 2.533 179.400 176.870 -0.005 0.000 1.075 123 L CA 3.084 57.903 54.840 -0.034 0.000 0.747 123 L CB 0.283 42.273 42.059 -0.115 0.000 0.903 123 L HN -0.114 8.129 8.230 0.022 0.000 0.435 124 I N -3.155 117.412 120.570 -0.006 0.000 2.353 124 I HA -0.217 3.939 4.170 -0.022 0.000 0.248 124 I C 2.225 178.340 176.117 -0.005 0.000 1.119 124 I CA 1.177 62.469 61.300 -0.013 0.000 1.417 124 I CB -1.593 36.397 38.000 -0.017 0.000 1.078 124 I HN -0.124 8.085 8.210 -0.002 0.000 0.421 125 G N -0.427 108.376 108.800 0.006 0.000 2.459 125 G HA2 -0.329 3.848 3.960 0.010 0.000 0.217 125 G HA3 -0.329 3.638 3.960 0.011 0.000 0.217 125 G C 1.267 176.172 174.900 0.008 0.000 1.183 125 G CA 2.695 47.800 45.100 0.009 0.000 0.776 125 G HN -0.219 8.077 8.290 0.010 0.000 0.552 126 T N 0.082 114.644 114.554 0.014 0.000 2.777 126 T HA -0.253 4.098 4.350 0.002 0.000 0.266 126 T C 1.426 176.135 174.700 0.015 0.000 1.040 126 T CA 3.311 65.422 62.100 0.017 0.000 1.141 126 T CB -0.288 68.609 68.868 0.048 0.000 0.868 126 T HN -0.372 7.880 8.240 0.020 0.000 0.444 127 N N -0.191 118.516 118.700 0.012 0.000 2.424 127 N HA -0.040 4.699 4.740 -0.002 0.000 0.178 127 N C -0.672 174.823 175.510 -0.026 0.000 1.060 127 N CA 2.300 55.343 53.050 -0.012 0.000 0.901 127 N CB 1.338 39.798 38.487 -0.046 0.000 0.979 127 N HN -0.654 7.734 8.380 0.013 0.000 0.451 128 A N -1.820 120.993 122.820 -0.011 0.000 1.690 128 A HA 0.238 4.556 4.320 -0.003 0.000 0.213 128 A C 0.174 177.781 177.584 0.038 0.000 1.785 128 A CA 1.555 53.590 52.037 -0.004 0.000 1.230 128 A CB 0.956 19.937 19.000 -0.032 0.000 1.175 128 A HN -0.640 7.462 8.150 -0.005 0.045 0.468 129 I N 0.592 121.183 120.570 0.034 0.000 2.286 129 I HA -0.453 3.782 4.170 0.109 0.000 0.245 129 I C 1.481 177.684 176.117 0.143 0.000 1.104 129 I CA 4.501 65.856 61.300 0.091 0.000 1.397 129 I CB 0.043 38.074 38.000 0.051 0.000 1.072 129 I HN -0.204 8.014 8.210 0.014 0.000 0.417 130 A N -0.189 122.666 122.820 0.059 0.000 1.877 130 A HA -0.001 4.333 4.320 0.024 0.000 0.216 130 A C -1.123 176.470 177.584 0.015 0.000 1.186 130 A CA 4.543 56.591 52.037 0.019 0.000 0.620 130 A CB -2.724 16.258 19.000 -0.030 0.000 0.822 130 A HN 0.389 8.454 8.150 0.036 0.107 0.443 131 P HA -0.266 4.326 4.420 -0.030 -0.190 0.216 131 P C 1.396 178.723 177.300 0.045 0.000 1.153 131 P CA 2.751 65.856 63.100 0.009 0.000 0.858 131 P CB -0.346 31.359 31.700 0.009 0.000 0.789 132 F N -1.045 118.880 119.950 -0.042 0.000 2.102 132 F HA -0.339 4.169 4.527 -0.032 0.000 0.298 132 F C 1.281 177.067 175.800 -0.024 0.000 1.105 132 F CA 3.651 61.632 58.000 -0.031 0.000 1.239 132 F CB 0.103 39.087 39.000 -0.027 0.000 0.991 132 F HN -0.631 7.815 8.300 0.243 0.000 0.474 133 L N -1.517 119.606 121.223 -0.165 0.000 2.056 133 L HA -0.393 3.645 4.340 -0.502 0.000 0.207 133 L C 2.351 179.107 176.870 -0.190 0.000 1.078 133 L CA 2.966 57.648 54.840 -0.264 0.000 0.749 133 L CB -0.313 41.714 42.059 -0.054 0.000 0.901 133 L HN -0.178 8.109 8.230 0.095 0.000 0.433 134 L N -1.551 119.608 121.223 -0.106 0.000 2.046 134 L HA -0.432 3.885 4.340 -0.039 0.000 0.208 134 L C 2.477 179.322 176.870 -0.042 0.000 1.077 134 L CA 3.565 58.369 54.840 -0.060 0.000 0.747 134 L CB -0.697 41.327 42.059 -0.058 0.000 0.896 134 L HN 0.208 8.389 8.230 -0.081 0.000 0.432 135 T N 1.189 115.683 114.554 -0.101 0.000 2.708 135 T HA -0.438 3.881 4.350 -0.051 0.000 0.266 135 T C 1.888 176.535 174.700 -0.087 0.000 1.037 135 T CA 4.524 66.573 62.100 -0.085 0.000 1.146 135 T CB -0.340 68.466 68.868 -0.103 0.000 0.865 135 T HN -0.244 7.924 8.240 -0.120 0.000 0.435 136 M N 1.731 121.181 119.600 -0.249 0.000 2.080 136 M HA -0.468 3.874 4.480 -0.231 0.000 0.260 136 M C 1.835 178.057 176.300 -0.129 0.000 1.068 136 M CA 4.344 59.493 55.300 -0.251 0.000 1.109 136 M CB -0.027 32.317 32.600 -0.427 0.000 1.342 136 M HN -0.120 7.951 8.290 -0.364 0.000 0.405 137 S N -0.405 115.242 115.700 -0.089 0.000 2.383 137 S HA -0.267 4.159 4.470 -0.074 0.000 0.227 137 S C 2.040 176.655 174.600 0.025 0.000 1.026 137 S CA 3.652 61.828 58.200 -0.040 0.000 0.981 137 S CB -0.557 62.630 63.200 -0.021 0.000 0.818 137 S HN -0.281 7.963 8.310 -0.111 0.000 0.472 138 F N 2.950 122.869 119.950 -0.051 0.000 2.069 138 F HA -0.483 4.090 4.527 0.075 0.000 0.298 138 F C 0.396 176.181 175.800 -0.024 0.000 1.113 138 F CA 3.407 61.410 58.000 0.005 0.000 1.214 138 F CB 0.277 39.270 39.000 -0.011 0.000 0.978 138 F HN -0.171 8.247 8.300 0.195 0.000 0.474 139 A N -3.582 119.291 122.820 0.088 0.000 1.930 139 A HA -0.331 3.932 4.320 -0.095 0.000 0.217 139 A C 2.391 179.849 177.584 -0.209 0.000 1.175 139 A CA 2.711 54.692 52.037 -0.093 0.000 0.627 139 A CB -0.730 18.186 19.000 -0.140 0.000 0.815 139 A HN -0.233 8.017 8.150 0.167 0.000 0.443 140 Q N -0.817 118.881 119.800 -0.170 0.000 2.170 140 Q HA -0.249 3.983 4.340 -0.181 0.000 0.203 140 Q C 2.096 177.984 176.000 -0.186 0.000 0.976 140 Q CA 2.394 58.094 55.803 -0.171 0.000 0.858 140 Q CB -0.033 28.622 28.738 -0.139 0.000 0.907 140 Q HN -0.265 7.926 8.270 -0.132 0.000 0.433 141 R N -3.850 116.519 120.500 -0.219 0.000 2.275 141 R HA 0.020 4.154 4.340 -0.343 0.000 0.199 141 R C 0.623 176.773 176.300 -0.250 0.000 0.989 141 R CA -0.341 55.568 56.100 -0.319 0.000 1.016 141 R CB -0.075 29.972 30.300 -0.423 0.000 0.918 141 R HN -0.618 7.510 8.270 -0.197 0.024 0.473 152 S N 4.329 120.040 115.700 0.018 0.000 2.601 152 S HA -0.013 4.468 4.470 0.018 0.000 0.271 152 S C -0.439 174.183 174.600 0.037 0.000 1.305 152 S CA -0.087 58.129 58.200 0.027 0.000 1.022 152 S CB 0.556 63.779 63.200 0.037 0.000 0.940 152 S HN -0.114 8.209 8.310 0.021 0.000 0.525 153 N N 1.439 120.168 118.700 0.049 0.000 2.707 153 N HA 0.032 4.805 4.740 0.055 0.000 0.249 153 N C -1.400 174.171 175.510 0.101 0.000 1.299 153 N CA 0.011 53.097 53.050 0.061 0.000 0.769 153 N CB 0.608 39.121 38.487 0.044 0.000 1.236 153 N HN 0.101 8.511 8.380 0.050 0.000 0.524 154 L N 3.619 124.916 121.223 0.123 0.000 2.305 154 L HA 0.419 5.128 4.340 0.254 -0.216 0.281 154 L C -0.964 176.002 176.870 0.160 0.000 1.085 154 L CA -0.400 54.567 54.840 0.212 0.000 0.813 154 L CB 0.370 42.584 42.059 0.259 0.000 1.157 154 L HN 0.218 8.512 8.230 0.106 0.000 0.436 155 S N 2.080 117.846 115.700 0.110 0.000 2.588 155 S HA 0.848 5.452 4.470 -0.031 -0.152 0.269 155 S C -2.074 172.377 174.600 -0.248 0.000 1.157 155 S CA -0.451 57.720 58.200 -0.048 0.000 0.824 155 S CB 3.646 66.815 63.200 -0.051 0.000 1.126 155 S HN 0.223 8.626 8.310 0.155 0.000 0.464 156 I N -0.289 120.122 120.570 -0.265 0.000 2.569 156 I HA 0.861 5.005 4.170 -0.393 -0.210 0.296 156 I C -1.488 174.514 176.117 -0.191 0.000 1.028 156 I CA -1.474 59.632 61.300 -0.323 0.000 1.082 156 I CB 4.032 41.817 38.000 -0.359 0.000 1.264 156 I HN 0.326 8.424 8.210 -0.187 0.000 0.429 157 V N 5.709 125.521 119.914 -0.169 0.000 2.483 157 V HA 0.474 4.754 4.120 -0.102 -0.220 0.297 157 V C -1.576 174.457 176.094 -0.101 0.000 1.027 157 V CA -1.598 60.632 62.300 -0.116 0.000 0.855 157 V CB 2.328 34.091 31.823 -0.101 0.000 0.995 157 V HN 0.616 8.691 8.190 -0.193 0.000 0.424 158 N N 6.636 125.288 118.700 -0.080 0.000 2.421 158 N HA 0.323 5.022 4.740 -0.069 0.000 0.285 158 N C -1.298 174.179 175.510 -0.056 0.000 1.027 158 N CA -1.175 51.835 53.050 -0.066 0.000 0.918 158 N CB 2.098 40.549 38.487 -0.060 0.000 1.152 158 N HN 0.359 8.694 8.380 -0.075 0.000 0.485 159 L N 3.490 124.683 121.223 -0.050 0.000 2.312 159 L HA 0.246 4.723 4.340 -0.046 -0.165 0.287 159 L C -0.152 176.687 176.870 -0.051 0.000 1.091 159 L CA -0.471 54.341 54.840 -0.045 0.000 0.846 159 L CB -2.235 39.802 42.059 -0.037 0.000 1.219 159 L HN -0.060 8.141 8.230 -0.048 0.000 0.439 160 C N 4.534 123.799 119.300 -0.059 0.000 2.372 160 C HA 0.074 4.481 4.460 -0.089 0.000 0.352 160 C C -1.492 173.455 174.990 -0.072 0.000 2.624 160 C CA -1.334 57.638 59.018 -0.077 0.000 1.817 160 C CB 1.762 29.455 27.740 -0.078 0.000 2.051 160 C HN 0.309 8.506 8.230 -0.055 0.000 0.412 161 D N -0.552 119.796 120.400 -0.085 0.000 2.763 161 D HA 0.051 4.773 4.640 -0.057 -0.117 0.235 161 D C -0.108 176.150 176.300 -0.070 0.000 1.334 161 D CA -0.338 53.624 54.000 -0.064 0.000 0.950 161 D CB 1.594 42.379 40.800 -0.025 0.000 1.433 161 D HN -0.333 7.974 8.370 -0.104 0.000 0.580 162 A N 5.822 128.608 122.820 -0.056 0.000 2.070 162 A HA -0.082 4.211 4.320 -0.044 0.000 0.220 162 A C 0.788 178.357 177.584 -0.025 0.000 1.159 162 A CA 2.514 54.526 52.037 -0.041 0.000 0.656 162 A CB 0.110 19.091 19.000 -0.032 0.000 0.800 162 A HN 0.709 8.824 8.150 -0.059 0.000 0.453 163 M N -4.139 115.450 119.600 -0.018 0.000 2.493 163 M HA 0.223 4.722 4.480 0.032 0.000 0.244 163 M C 1.083 177.397 176.300 0.024 0.000 1.182 163 M CA -2.217 53.095 55.300 0.020 0.000 0.981 163 M CB -1.646 30.974 32.600 0.033 0.000 1.551 163 M HN -0.453 8.058 8.290 -0.030 -0.239 0.476 164 V N 2.534 122.423 119.914 -0.042 0.000 2.594 164 V HA -0.330 3.757 4.120 -0.056 0.000 0.253 164 V C 0.118 176.227 176.094 0.026 0.000 1.069 164 V CA 2.878 65.110 62.300 -0.114 0.000 1.082 164 V CB -0.078 31.522 31.823 -0.372 0.000 0.680 164 V HN -0.509 7.557 8.190 -0.066 0.085 0.469 165 D N -3.217 117.216 120.400 0.056 0.000 2.340 165 D HA 0.105 4.881 4.640 0.226 0.000 0.217 165 D C -0.974 175.395 176.300 0.114 0.000 1.081 165 D CA 0.586 54.667 54.000 0.135 0.000 0.842 165 D CB 0.230 41.092 40.800 0.104 0.000 0.934 165 D HN 0.148 8.498 8.370 0.017 0.030 0.511 166 Q N -0.778 119.085 119.800 0.106 0.000 3.075 166 Q HA 0.371 4.775 4.340 0.106 0.000 0.318 166 Q C -2.519 173.559 176.000 0.129 0.000 0.907 166 Q CA -2.422 53.446 55.803 0.110 0.000 0.882 166 Q CB 1.215 30.014 28.738 0.102 0.000 1.386 166 Q HN -0.533 7.613 8.270 0.096 0.182 0.408 167 P HA 0.035 4.552 4.420 0.162 0.000 0.274 167 P C -0.470 176.929 177.300 0.164 0.000 1.237 167 P CA -0.534 62.664 63.100 0.163 0.000 0.793 167 P CB 0.830 32.639 31.700 0.182 0.000 0.977 168 C N 0.724 120.116 119.300 0.152 0.000 2.539 168 C HA 0.196 4.767 4.460 0.184 0.000 0.392 168 C C 0.770 175.925 174.990 0.275 0.000 1.269 168 C CA -0.108 59.007 59.018 0.161 0.000 2.250 168 C CB 0.472 28.169 27.740 -0.072 0.000 2.584 168 C HN 0.262 8.570 8.230 0.131 0.000 0.589 169 M N 4.824 124.579 119.600 0.258 0.000 2.260 169 M HA -0.167 4.422 4.480 0.182 0.000 0.348 169 M C 0.190 176.664 176.300 0.290 0.000 1.342 169 M CA 1.172 56.608 55.300 0.226 0.000 1.040 169 M CB 0.184 32.883 32.600 0.164 0.000 1.810 169 M HN 0.348 8.774 8.290 0.227 0.000 0.453 170 A N 2.473 125.401 122.820 0.180 0.000 2.952 170 A HA -0.355 3.989 4.320 0.039 0.000 0.252 170 A C -1.429 176.137 177.584 -0.029 0.000 1.323 170 A CA 1.322 53.392 52.037 0.054 0.000 0.957 170 A CB -2.057 16.936 19.000 -0.012 0.000 1.130 170 A HN 0.631 8.875 8.150 0.157 0.000 0.799 171 F N -3.051 116.920 119.950 0.036 0.000 2.925 171 F HA 0.169 4.691 4.527 -0.010 0.000 0.302 171 F C 0.390 176.247 175.800 0.095 0.000 1.189 171 F CA -1.084 56.941 58.000 0.042 0.000 1.346 171 F CB -0.286 38.750 39.000 0.059 0.000 0.954 171 F HN -0.483 8.003 8.300 0.390 0.049 0.506 172 S N 4.069 119.861 115.700 0.154 0.000 2.359 172 S HA -0.347 4.205 4.470 0.136 0.000 0.224 172 S C 1.750 176.409 174.600 0.098 0.000 1.035 172 S CA 4.672 62.942 58.200 0.116 0.000 1.018 172 S CB -0.429 62.804 63.200 0.056 0.000 0.876 172 S HN 0.073 8.381 8.310 0.093 0.058 0.448 173 L N -0.517 120.745 121.223 0.065 0.000 2.056 173 L HA -0.291 4.064 4.340 0.023 0.000 0.207 173 L C 1.693 178.600 176.870 0.062 0.000 1.078 173 L CA 2.859 57.720 54.840 0.036 0.000 0.749 173 L CB -0.223 41.835 42.059 -0.002 0.000 0.901 173 L HN -0.660 7.597 8.230 0.044 0.000 0.433 174 Y N -0.556 119.751 120.300 0.012 0.000 2.128 174 Y HA -0.522 4.045 4.550 0.029 0.000 0.284 174 Y C 1.254 177.222 175.900 0.113 0.000 1.154 174 Y CA 3.323 61.468 58.100 0.075 0.000 1.149 174 Y CB -0.399 38.180 38.460 0.199 0.000 0.976 174 Y HN -0.210 8.195 8.280 0.208 0.000 0.505 175 N N -1.072 117.679 118.700 0.084 0.000 2.120 175 N HA -0.425 4.240 4.740 -0.125 0.000 0.188 175 N C 2.301 177.845 175.510 0.057 0.000 1.024 175 N CA 3.416 56.487 53.050 0.035 0.000 0.852 175 N CB 0.171 38.787 38.487 0.216 0.000 1.003 175 N HN -0.342 8.217 8.380 0.297 0.000 0.424 176 M N -0.141 119.483 119.600 0.041 0.000 2.108 176 M HA -0.390 4.112 4.480 0.037 0.000 0.261 176 M C 1.930 178.224 176.300 -0.010 0.000 1.066 176 M CA 4.314 59.627 55.300 0.021 0.000 1.107 176 M CB -0.164 32.433 32.600 -0.005 0.000 1.356 176 M HN 0.277 8.596 8.290 0.049 0.000 0.406 177 G N -1.196 107.559 108.800 -0.073 0.000 2.446 177 G HA2 -0.406 3.481 3.960 -0.121 0.000 0.217 177 G HA3 -0.406 3.514 3.960 -0.066 0.000 0.217 177 G C 1.156 175.972 174.900 -0.140 0.000 1.168 177 G CA 2.185 47.224 45.100 -0.103 0.000 0.771 177 G HN 0.065 8.309 8.290 -0.076 0.000 0.551 178 K N 0.905 121.147 120.400 -0.263 0.000 2.148 178 K HA -0.190 3.996 4.320 -0.223 0.000 0.204 178 K C 2.341 178.835 176.600 -0.175 0.000 1.050 178 K CA 2.200 58.328 56.287 -0.265 0.000 0.942 178 K CB -0.771 31.478 32.500 -0.419 0.000 0.724 178 K HN -0.385 7.650 8.250 -0.358 0.000 0.446 179 H N -0.213 118.782 119.070 -0.124 0.000 2.357 179 H HA -0.220 4.297 4.556 -0.066 0.000 0.301 179 H C 2.031 177.319 175.328 -0.066 0.000 1.082 179 H CA 3.926 59.929 56.048 -0.075 0.000 1.342 179 H CB 0.434 30.163 29.762 -0.056 0.000 1.389 179 H HN -0.209 8.092 8.280 0.036 0.000 0.511 180 A N -0.755 122.096 122.820 0.052 0.000 1.940 180 A HA -0.287 4.036 4.320 0.004 0.000 0.219 180 A C 2.006 179.578 177.584 -0.020 0.000 1.176 180 A CA 3.036 55.072 52.037 -0.002 0.000 0.631 180 A CB -0.754 18.227 19.000 -0.031 0.000 0.814 180 A HN 0.086 8.268 8.150 0.054 0.000 0.446 181 L N -1.621 119.578 121.223 -0.040 0.000 2.141 181 L HA -0.247 4.078 4.340 -0.024 0.000 0.209 181 L C 1.578 178.423 176.870 -0.041 0.000 1.094 181 L CA 2.730 57.545 54.840 -0.042 0.000 0.763 181 L CB -0.139 41.881 42.059 -0.066 0.000 0.908 181 L HN -0.521 7.570 8.230 -0.053 0.107 0.437 182 V N -1.060 118.821 119.914 -0.054 0.000 2.287 182 V HA -0.532 3.559 4.120 -0.048 0.000 0.248 182 V C 1.953 178.038 176.094 -0.015 0.000 1.053 182 V CA 4.049 66.323 62.300 -0.044 0.000 1.027 182 V CB -1.210 30.575 31.823 -0.063 0.000 0.646 182 V HN -0.566 7.582 8.190 -0.070 0.000 0.447 183 G N -0.924 107.875 108.800 -0.001 0.000 2.446 183 G HA2 -0.335 3.627 3.960 0.004 0.000 0.217 183 G HA3 -0.335 3.630 3.960 0.008 0.000 0.217 183 G C 1.097 176.001 174.900 0.007 0.000 1.168 183 G CA 2.192 47.295 45.100 0.004 0.000 0.771 183 G HN -0.505 7.786 8.290 0.002 0.000 0.551 184 L N 0.961 122.189 121.223 0.009 0.000 2.012 184 L HA -0.268 4.106 4.340 0.057 0.000 0.210 184 L C 1.858 178.742 176.870 0.024 0.000 1.073 184 L CA 3.086 57.949 54.840 0.038 0.000 0.748 184 L CB -0.340 41.753 42.059 0.057 0.000 0.891 184 L HN -0.021 8.209 8.230 0.001 0.000 0.431 185 T N 1.048 115.602 114.554 0.000 0.000 2.665 185 T HA -0.451 3.888 4.350 -0.018 0.000 0.268 185 T C 2.407 177.104 174.700 -0.006 0.000 1.035 185 T CA 4.921 67.013 62.100 -0.013 0.000 1.151 185 T CB -0.619 68.233 68.868 -0.026 0.000 0.862 185 T HN -0.155 8.081 8.240 -0.006 0.000 0.438 186 Q N 0.691 120.490 119.800 -0.001 0.000 2.049 186 Q HA -0.314 4.024 4.340 -0.003 0.000 0.198 186 Q C 2.723 178.730 176.000 0.011 0.000 0.971 186 Q CA 3.731 59.535 55.803 0.002 0.000 0.833 186 Q CB -0.149 28.591 28.738 0.003 0.000 0.896 186 Q HN -0.326 7.943 8.270 -0.002 0.000 0.434 187 S N 0.859 116.572 115.700 0.021 0.000 2.356 187 S HA -0.261 4.226 4.470 0.029 0.000 0.223 187 S C 2.085 176.711 174.600 0.043 0.000 1.032 187 S CA 3.657 61.878 58.200 0.034 0.000 1.005 187 S CB -0.481 62.746 63.200 0.044 0.000 0.867 187 S HN 0.056 8.378 8.310 0.020 0.000 0.449 188 A N 0.853 123.699 122.820 0.043 0.000 1.930 188 A HA -0.287 4.065 4.320 0.052 0.000 0.217 188 A C 1.420 179.021 177.584 0.029 0.000 1.175 188 A CA 2.750 54.811 52.037 0.040 0.000 0.627 188 A CB -0.634 18.383 19.000 0.027 0.000 0.815 188 A HN 0.051 8.225 8.150 0.041 0.000 0.443 189 A N -0.113 122.714 122.820 0.012 0.000 1.883 189 A HA -0.293 4.028 4.320 0.001 0.000 0.217 189 A C 1.768 179.360 177.584 0.014 0.000 1.186 189 A CA 2.928 54.967 52.037 0.003 0.000 0.624 189 A CB -0.591 18.400 19.000 -0.015 0.000 0.822 189 A HN -0.403 7.751 8.150 0.008 0.000 0.444 190 L N -2.006 119.228 121.223 0.018 0.000 2.017 190 L HA -0.322 4.024 4.340 0.009 0.000 0.208 190 L C 1.824 178.723 176.870 0.047 0.000 1.073 190 L CA 2.883 57.736 54.840 0.022 0.000 0.745 190 L CB 0.025 42.096 42.059 0.020 0.000 0.894 190 L HN -0.482 7.758 8.230 0.017 0.000 0.432 191 E N -1.804 118.437 120.200 0.067 0.000 2.216 191 E HA -0.196 4.215 4.350 0.101 0.000 0.192 191 E C 1.410 178.119 176.600 0.182 0.000 0.988 191 E CA 2.423 58.887 56.400 0.106 0.000 0.834 191 E CB 0.580 30.336 29.700 0.093 0.000 0.772 191 E HN -0.534 7.861 8.360 0.058 0.000 0.479 192 L N -2.794 118.522 121.223 0.154 0.000 2.585 192 L HA 0.169 4.743 4.340 0.390 0.000 0.226 192 L C 1.108 178.120 176.870 0.237 0.000 1.113 192 L CA 0.276 55.258 54.840 0.236 0.000 0.876 192 L CB 0.335 42.462 42.059 0.114 0.000 1.072 192 L HN -0.268 8.024 8.230 0.103 0.000 0.468 193 A N 1.111 124.003 122.820 0.120 0.000 1.917 193 A HA -0.131 4.218 4.320 0.049 0.000 0.219 193 A C -0.666 176.942 177.584 0.041 0.000 1.182 193 A CA 4.371 56.441 52.037 0.056 0.000 0.633 193 A CB -2.763 16.237 19.000 -0.000 0.000 0.819 193 A HN -0.295 7.913 8.150 0.095 0.000 0.448 194 P HA -0.139 4.215 4.420 -0.110 0.000 0.225 194 P C -0.378 176.784 177.300 -0.230 0.000 1.148 194 P CA 1.994 65.004 63.100 -0.149 0.000 0.779 194 P CB -0.333 31.206 31.700 -0.268 0.000 0.780 195 Y N -4.160 116.149 120.300 0.015 0.000 2.466 195 Y HA 0.031 4.590 4.550 0.015 0.000 0.272 195 Y C 1.091 177.009 175.900 0.029 0.000 1.169 195 Y CA -0.297 57.816 58.100 0.021 0.000 1.285 195 Y CB -0.449 38.028 38.460 0.028 0.000 1.078 195 Y HN -0.409 7.858 8.280 0.234 0.153 0.523 196 G N -1.015 107.864 108.800 0.132 0.000 2.153 196 G HA2 -0.464 3.548 3.960 0.087 0.000 0.252 196 G HA3 -0.464 3.533 3.960 0.062 0.000 0.252 196 G C -0.603 174.366 174.900 0.116 0.000 0.994 196 G CA 0.562 45.720 45.100 0.095 0.000 0.698 196 G HN -0.285 7.883 8.290 0.100 0.182 0.521 197 I N 0.675 121.337 120.570 0.154 0.000 2.304 197 I HA -0.060 4.385 4.170 0.158 -0.180 0.291 197 I C -0.573 175.589 176.117 0.076 0.000 1.018 197 I CA -0.410 60.982 61.300 0.152 0.000 1.260 197 I CB 0.204 38.336 38.000 0.220 0.000 1.390 197 I HN -0.887 7.385 8.210 0.186 0.050 0.475 198 R N 6.949 127.469 120.500 0.032 0.000 2.459 198 R HA 0.140 4.470 4.340 -0.018 0.000 0.281 198 R C -1.215 175.059 176.300 -0.044 0.000 1.050 198 R CA -0.401 55.688 56.100 -0.017 0.000 1.055 198 R CB 1.664 31.942 30.300 -0.038 0.000 1.045 198 R HN -0.221 8.075 8.270 0.043 0.000 0.495 199 V N 2.376 122.260 119.914 -0.050 0.000 2.524 199 V HA 0.474 4.716 4.120 -0.091 -0.177 0.297 199 V C -1.546 174.513 176.094 -0.057 0.000 1.035 199 V CA -0.637 61.624 62.300 -0.065 0.000 0.867 199 V CB 1.862 33.656 31.823 -0.049 0.000 1.004 199 V HN 0.172 8.335 8.190 -0.044 0.000 0.426 200 N N 5.477 124.137 118.700 -0.065 0.000 2.697 200 N HA 0.572 5.362 4.740 -0.038 -0.073 0.272 200 N C -1.990 173.491 175.510 -0.048 0.000 1.381 200 N CA -0.984 52.037 53.050 -0.048 0.000 0.797 200 N CB 5.322 43.781 38.487 -0.046 0.000 1.523 200 N HN 0.388 8.720 8.380 -0.081 0.000 0.518 201 G N -2.540 106.240 108.800 -0.033 0.000 2.563 201 G HA2 0.736 4.674 3.960 -0.037 0.000 0.302 201 G HA3 0.736 4.846 3.960 -0.044 -0.176 0.302 201 G C -2.747 172.141 174.900 -0.019 0.000 1.301 201 G CA -0.927 44.153 45.100 -0.034 0.000 0.965 201 G HN 0.452 8.729 8.290 -0.022 0.000 0.480 202 V N 1.134 121.032 119.914 -0.026 0.000 2.487 202 V HA 0.505 4.786 4.120 -0.006 -0.164 0.298 202 V C -2.089 173.985 176.094 -0.033 0.000 1.028 202 V CA -2.163 60.126 62.300 -0.018 0.000 0.860 202 V CB 2.871 34.685 31.823 -0.014 0.000 0.991 202 V HN 0.074 8.243 8.190 -0.035 0.000 0.427 203 A N 8.237 131.037 122.820 -0.033 0.000 2.508 203 A HA 0.636 4.925 4.320 -0.052 0.000 0.336 203 A C -2.974 174.581 177.584 -0.048 0.000 1.360 203 A CA -3.350 48.659 52.037 -0.045 0.000 0.841 203 A CB 0.272 19.244 19.000 -0.046 0.000 1.136 203 A HN 0.723 8.858 8.150 -0.024 0.000 0.489 204 P HA 0.177 4.748 4.420 -0.061 -0.188 0.272 204 P C 0.313 177.563 177.300 -0.083 0.000 1.223 204 P CA -0.403 62.653 63.100 -0.073 0.000 0.784 204 P CB 0.934 32.577 31.700 -0.095 0.000 0.923 205 G N 0.437 109.187 108.800 -0.083 0.000 2.549 205 G HA2 -0.006 3.919 3.960 -0.058 0.000 0.219 205 G HA3 -0.006 3.903 3.960 -0.084 0.000 0.219 205 G C -1.205 173.589 174.900 -0.177 0.000 1.677 205 G CA 0.285 45.331 45.100 -0.091 0.000 0.929 205 G HN -0.091 8.156 8.290 -0.071 0.000 0.549 206 V N -4.046 115.773 119.914 -0.158 0.000 2.409 206 V HA 0.335 4.271 4.120 -0.306 0.000 0.291 206 V C -1.685 174.326 176.094 -0.138 0.000 1.020 206 V CA -1.536 60.630 62.300 -0.222 0.000 0.848 206 V CB 1.762 33.444 31.823 -0.236 0.000 0.990 206 V HN -0.365 7.768 8.190 -0.095 0.000 0.430 207 S N 7.238 122.844 115.700 -0.157 0.000 3.617 207 S HA 0.311 4.945 4.470 -0.084 -0.215 0.220 207 S C -0.723 173.808 174.600 -0.116 0.000 1.040 207 S CA -1.833 56.300 58.200 -0.112 0.000 1.454 207 S CB 1.005 64.144 63.200 -0.101 0.000 1.045 207 S HN 0.134 8.324 8.310 -0.201 0.000 0.658 208 L N 2.436 123.599 121.223 -0.100 0.000 2.584 208 L HA -0.114 4.187 4.340 -0.066 0.000 0.272 208 L C -0.506 176.293 176.870 -0.118 0.000 1.195 208 L CA 0.478 55.267 54.840 -0.086 0.000 0.920 208 L CB -0.157 41.861 42.059 -0.068 0.000 1.173 208 L HN 0.190 8.364 8.230 -0.093 0.000 0.489 209 L N 5.223 126.390 121.223 -0.093 0.000 2.453 209 L HA 0.211 4.445 4.340 -0.177 0.000 0.261 209 L C -1.275 175.554 176.870 -0.069 0.000 1.179 209 L CA -2.888 51.887 54.840 -0.108 0.000 0.813 209 L CB -1.521 40.507 42.059 -0.052 0.000 1.110 209 L HN 0.152 8.343 8.230 -0.065 0.000 0.466 210 P HA 0.035 4.448 4.420 -0.012 0.000 0.266 210 P C 0.619 177.934 177.300 0.025 0.000 1.195 210 P CA -0.363 62.739 63.100 0.005 0.000 0.768 210 P CB 0.464 32.212 31.700 0.080 0.000 0.838 211 V N 0.609 120.539 119.914 0.026 0.000 2.469 211 V HA -0.338 3.793 4.120 0.019 0.000 0.251 211 V C 0.260 176.377 176.094 0.038 0.000 1.064 211 V CA 2.474 64.790 62.300 0.027 0.000 1.066 211 V CB -0.431 31.407 31.823 0.025 0.000 0.667 211 V HN 0.150 8.355 8.190 0.025 0.000 0.461 212 A N -2.443 120.409 122.820 0.054 0.000 2.206 212 A HA -0.047 4.301 4.320 0.046 0.000 0.211 212 A C 0.124 177.747 177.584 0.065 0.000 1.158 212 A CA 0.350 52.422 52.037 0.057 0.000 0.761 212 A CB -0.302 18.738 19.000 0.067 0.000 0.801 212 A HN -0.416 7.746 8.150 0.062 0.025 0.473 213 M N 1.083 120.725 119.600 0.071 0.000 2.200 213 M HA -0.046 4.490 4.480 0.094 0.000 0.355 213 M C 0.031 176.373 176.300 0.069 0.000 1.283 213 M CA 0.324 55.674 55.300 0.085 0.000 1.124 213 M CB 1.153 33.813 32.600 0.100 0.000 1.625 213 M HN -0.739 7.412 8.290 0.065 0.178 0.463 214 G N 3.951 112.792 108.800 0.069 0.000 2.544 214 G HA2 -0.041 3.950 3.960 0.052 0.000 0.242 214 G HA3 -0.041 3.947 3.960 0.046 0.000 0.242 214 G C -0.242 174.694 174.900 0.059 0.000 1.247 214 G CA -0.565 44.568 45.100 0.055 0.000 0.840 214 G HN 0.082 8.417 8.290 0.076 0.000 0.578 215 E N 1.800 122.027 120.200 0.045 0.000 2.110 215 E HA -0.382 3.997 4.350 0.049 0.000 0.193 215 E C 2.311 178.940 176.600 0.048 0.000 0.988 215 E CA 3.510 59.936 56.400 0.044 0.000 0.804 215 E CB -0.064 29.654 29.700 0.031 0.000 0.745 215 E HN 0.522 8.905 8.360 0.038 0.000 0.458 216 E N -2.584 117.641 120.200 0.041 0.000 2.110 216 E HA -0.321 4.046 4.350 0.029 0.000 0.193 216 E C 2.184 178.811 176.600 0.045 0.000 0.988 216 E CA 3.130 59.550 56.400 0.034 0.000 0.804 216 E CB -0.530 29.184 29.700 0.023 0.000 0.745 216 E HN 0.274 8.646 8.360 0.038 0.011 0.458 217 E N -1.274 118.967 120.200 0.069 0.000 2.106 217 E HA -0.210 4.179 4.350 0.064 0.000 0.192 217 E C 2.308 179.020 176.600 0.186 0.000 0.984 217 E CA 2.267 58.731 56.400 0.106 0.000 0.806 217 E CB -0.787 28.994 29.700 0.134 0.000 0.750 217 E HN -0.503 7.898 8.360 0.068 0.000 0.458 218 K N -0.694 119.804 120.400 0.162 0.000 2.032 218 K HA -0.279 4.191 4.320 0.250 0.000 0.209 218 K C 2.319 179.016 176.600 0.162 0.000 1.048 218 K CA 3.442 59.836 56.287 0.179 0.000 0.927 218 K CB -0.189 32.372 32.500 0.102 0.000 0.712 218 K HN -0.295 8.029 8.250 0.124 0.000 0.441 219 D N -1.487 118.969 120.400 0.093 0.000 2.178 219 D HA -0.195 4.485 4.640 0.067 0.000 0.202 219 D C 1.799 178.125 176.300 0.043 0.000 0.974 219 D CA 3.007 57.045 54.000 0.062 0.000 0.841 219 D CB -0.590 40.230 40.800 0.033 0.000 0.953 219 D HN -0.186 8.231 8.370 0.080 0.000 0.478 220 K N 0.899 121.306 120.400 0.012 0.000 2.057 220 K HA -0.259 4.009 4.320 -0.087 0.000 0.207 220 K C 1.966 178.488 176.600 -0.129 0.000 1.049 220 K CA 3.214 59.443 56.287 -0.096 0.000 0.931 220 K CB -0.120 32.278 32.500 -0.170 0.000 0.714 220 K HN -0.698 7.554 8.250 0.030 0.016 0.440 221 W N -2.757 118.540 121.300 -0.005 0.000 2.379 221 W HA -0.290 4.363 4.660 -0.012 0.000 0.307 221 W C 2.890 179.400 176.519 -0.016 0.000 1.200 221 W CA 2.784 60.122 57.345 -0.011 0.000 1.297 221 W CB 0.106 29.558 29.460 -0.014 0.000 1.140 221 W HN -0.763 7.527 8.180 0.185 0.000 0.507 222 R N -1.238 119.394 120.500 0.220 0.000 2.091 222 R HA -0.470 3.945 4.340 0.125 0.000 0.238 222 R C 2.194 178.537 176.300 0.072 0.000 1.136 222 R CA 3.609 59.782 56.100 0.122 0.000 0.959 222 R CB -0.383 29.966 30.300 0.082 0.000 0.856 222 R HN -0.264 8.141 8.270 0.226 0.000 0.437 223 R N -4.813 115.711 120.500 0.041 0.000 2.237 223 R HA -0.236 4.110 4.340 0.009 0.000 0.219 223 R C 1.351 177.649 176.300 -0.004 0.000 1.080 223 R CA 2.243 58.347 56.100 0.007 0.000 0.995 223 R CB -0.348 29.942 30.300 -0.016 0.000 0.875 223 R HN -0.520 7.760 8.270 0.041 0.015 0.462 224 K N -3.526 116.880 120.400 0.011 0.000 2.418 224 K HA -0.083 4.218 4.320 -0.031 0.000 0.195 224 K C -0.044 176.573 176.600 0.028 0.000 1.035 224 K CA 0.595 56.883 56.287 0.002 0.000 1.003 224 K CB 0.464 32.966 32.500 0.003 0.000 0.793 224 K HN -0.634 7.472 8.250 0.034 0.165 0.494 225 V N 2.276 122.219 119.914 0.049 0.000 2.405 225 V HA 0.107 4.254 4.120 0.044 0.000 0.264 225 V C -1.137 174.965 176.094 0.014 0.000 1.048 225 V CA -2.295 60.029 62.300 0.040 0.000 0.966 225 V CB -0.968 30.883 31.823 0.047 0.000 1.015 225 V HN -0.870 7.305 8.190 0.057 0.049 0.477 226 P HA -0.164 4.249 4.420 -0.012 0.000 0.215 226 P C -0.345 176.953 177.300 -0.004 0.000 1.153 226 P CA 2.293 65.389 63.100 -0.007 0.000 0.853 226 P CB 0.271 31.964 31.700 -0.011 0.000 0.788 227 L N -1.397 119.825 121.223 -0.001 0.000 2.375 227 L HA -0.086 4.251 4.340 -0.005 0.000 0.276 227 L C -0.155 176.714 176.870 -0.001 0.000 1.162 227 L CA -0.428 54.410 54.840 -0.003 0.000 0.991 227 L CB -1.200 40.855 42.059 -0.006 0.000 1.315 227 L HN -0.639 7.592 8.230 0.001 0.000 0.431 228 G N 5.285 114.085 108.800 -0.000 0.000 2.176 228 G HA2 -0.306 3.654 3.960 0.000 0.000 0.232 228 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.232 228 G C 0.236 175.140 174.900 0.006 0.000 0.986 228 G CA -0.294 44.806 45.100 0.001 0.000 0.643 228 G HN -0.197 8.092 8.290 -0.002 0.000 0.522 229 R N -2.549 117.957 120.500 0.009 0.000 3.416 229 R HA -0.479 4.125 4.340 0.020 -0.252 0.263 229 R C -1.823 174.491 176.300 0.023 0.000 1.053 229 R CA 1.009 57.119 56.100 0.016 0.000 0.705 229 R CB -2.689 27.617 30.300 0.009 0.000 1.124 229 R HN -0.262 7.956 8.270 0.008 0.057 0.444 230 R N -4.773 115.741 120.500 0.024 0.000 2.710 230 R HA 0.212 4.570 4.340 0.031 0.000 0.270 230 R C -2.594 173.718 176.300 0.020 0.000 1.021 230 R CA -1.531 54.582 56.100 0.023 0.000 0.889 230 R CB 2.744 33.051 30.300 0.012 0.000 1.243 230 R HN -0.407 7.866 8.270 0.021 0.009 0.464 231 E N 0.204 120.413 120.200 0.014 0.000 2.374 231 E HA -0.054 4.384 4.350 -0.006 -0.092 0.260 231 E C -0.517 176.073 176.600 -0.018 0.000 1.101 231 E CA -0.734 55.662 56.400 -0.007 0.000 0.907 231 E CB 0.547 30.233 29.700 -0.023 0.000 1.014 231 E HN -0.044 8.326 8.360 0.018 0.000 0.427 232 A N 1.417 124.219 122.820 -0.031 0.000 2.511 232 A HA -0.049 4.404 4.320 -0.024 -0.148 0.242 232 A C 0.269 177.834 177.584 -0.032 0.000 1.069 232 A CA 0.296 52.315 52.037 -0.031 0.000 0.763 232 A CB 0.661 19.638 19.000 -0.039 0.000 1.001 232 A HN -0.056 8.071 8.150 -0.039 0.000 0.498 233 S N 1.856 117.541 115.700 -0.024 0.000 2.584 233 S HA 0.029 4.484 4.470 -0.024 0.000 0.270 233 S C 1.486 176.069 174.600 -0.027 0.000 1.346 233 S CA -0.239 57.947 58.200 -0.023 0.000 1.018 233 S CB 1.361 64.551 63.200 -0.016 0.000 0.899 233 S HN -0.022 8.557 8.310 -0.021 -0.281 0.542 234 A N 1.572 124.376 122.820 -0.027 0.000 1.940 234 A HA -0.258 4.041 4.320 -0.034 0.000 0.219 234 A C 2.599 180.171 177.584 -0.020 0.000 1.176 234 A CA 3.204 55.225 52.037 -0.027 0.000 0.631 234 A CB -0.316 18.669 19.000 -0.025 0.000 0.814 234 A HN 0.558 8.693 8.150 -0.025 0.000 0.446 235 E N -1.768 118.424 120.200 -0.014 0.000 2.110 235 E HA -0.462 3.884 4.350 -0.006 0.000 0.193 235 E C 2.289 178.884 176.600 -0.008 0.000 0.988 235 E CA 3.066 59.461 56.400 -0.008 0.000 0.804 235 E CB -0.335 29.363 29.700 -0.004 0.000 0.745 235 E HN 0.408 8.750 8.360 -0.014 0.010 0.458 236 Q N -1.746 118.046 119.800 -0.013 0.000 2.124 236 Q HA -0.295 4.192 4.340 -0.011 -0.153 0.202 236 Q C 2.743 178.734 176.000 -0.014 0.000 0.977 236 Q CA 2.788 58.582 55.803 -0.014 0.000 0.850 236 Q CB 0.028 28.755 28.738 -0.019 0.000 0.901 236 Q HN -0.632 7.542 8.270 -0.015 0.087 0.429 237 I N -1.042 119.516 120.570 -0.020 0.000 2.179 237 I HA -0.404 3.754 4.170 -0.021 0.000 0.242 237 I C 1.886 177.995 176.117 -0.012 0.000 1.088 237 I CA 1.612 62.899 61.300 -0.021 0.000 1.357 237 I CB -1.285 36.694 38.000 -0.034 0.000 1.051 237 I HN -0.768 7.428 8.210 -0.023 0.000 0.409 238 A N -0.522 122.291 122.820 -0.011 0.000 1.978 238 A HA -0.396 3.916 4.320 -0.014 0.000 0.220 238 A C 1.927 179.516 177.584 0.008 0.000 1.170 238 A CA 3.383 55.416 52.037 -0.007 0.000 0.636 238 A CB -0.889 18.107 19.000 -0.007 0.000 0.810 238 A HN -0.082 8.059 8.150 -0.014 0.000 0.448 239 D N -1.785 118.624 120.400 0.014 0.000 2.149 239 D HA -0.342 4.321 4.640 0.038 0.000 0.198 239 D C 1.779 178.117 176.300 0.064 0.000 0.990 239 D CA 3.243 57.261 54.000 0.032 0.000 0.839 239 D CB -0.397 40.411 40.800 0.014 0.000 0.948 239 D HN -0.123 8.231 8.370 0.006 0.020 0.460 240 A N -0.816 122.036 122.820 0.053 0.000 1.929 240 A HA -0.121 4.283 4.320 0.141 0.000 0.216 240 A C 2.135 179.789 177.584 0.117 0.000 1.176 240 A CA 2.849 54.945 52.037 0.099 0.000 0.628 240 A CB -0.495 18.537 19.000 0.054 0.000 0.816 240 A HN -0.675 7.474 8.150 0.028 0.018 0.444 241 V N 0.019 119.959 119.914 0.043 0.000 2.295 241 V HA -0.447 3.669 4.120 -0.007 0.000 0.246 241 V C 2.116 178.208 176.094 -0.004 0.000 1.049 241 V CA 3.966 66.266 62.300 -0.001 0.000 1.024 241 V CB -0.761 31.040 31.823 -0.038 0.000 0.648 241 V HN -0.738 7.468 8.190 0.027 0.000 0.447 242 I N -0.553 120.030 120.570 0.023 0.000 2.286 242 I HA -0.427 3.730 4.170 -0.022 0.000 0.248 242 I C 2.054 178.217 176.117 0.076 0.000 1.115 242 I CA 1.594 62.911 61.300 0.028 0.000 1.392 242 I CB -1.106 36.923 38.000 0.048 0.000 1.065 242 I HN -0.208 8.020 8.210 0.030 0.000 0.418 243 F N 1.369 121.315 119.950 -0.006 0.000 2.095 243 F HA -0.378 4.155 4.527 0.011 0.000 0.298 243 F C 2.159 177.962 175.800 0.005 0.000 1.104 243 F CA 3.362 61.364 58.000 0.004 0.000 1.232 243 F CB -0.040 38.960 39.000 0.001 0.000 0.987 243 F HN -0.635 7.815 8.300 0.250 0.000 0.475 244 L N -3.803 117.291 121.223 -0.215 0.000 2.201 244 L HA -0.252 3.742 4.340 -0.576 0.000 0.212 244 L C 1.044 177.766 176.870 -0.246 0.000 1.105 244 L CA 2.103 56.747 54.840 -0.327 0.000 0.775 244 L CB 0.098 42.091 42.059 -0.110 0.000 0.913 244 L HN -0.554 7.691 8.230 0.024 0.000 0.440 245 V N -10.362 109.460 119.914 -0.154 0.000 3.306 245 V HA 0.056 4.122 4.120 -0.090 0.000 0.264 245 V C -0.051 176.015 176.094 -0.046 0.000 1.149 245 V CA 0.012 62.259 62.300 -0.090 0.000 1.143 245 V CB -0.033 31.734 31.823 -0.094 0.000 0.767 245 V HN -0.628 7.465 8.190 -0.125 0.023 0.476 246 S N 0.361 116.004 115.700 -0.096 0.000 2.624 246 S HA 0.037 4.521 4.470 0.023 0.000 0.263 246 S C 1.700 176.254 174.600 -0.076 0.000 1.287 246 S CA -0.279 57.894 58.200 -0.046 0.000 0.990 246 S CB 1.461 64.648 63.200 -0.021 0.000 0.950 246 S HN -0.672 7.369 8.310 -0.164 0.171 0.561 247 G N -0.195 108.592 108.800 -0.022 0.000 2.498 247 G HA2 -0.133 3.828 3.960 0.001 0.000 0.219 247 G HA3 -0.133 3.817 3.960 -0.017 0.000 0.219 247 G C 1.348 176.236 174.900 -0.021 0.000 1.119 247 G CA 1.841 46.931 45.100 -0.016 0.000 0.766 247 G HN 0.379 8.670 8.290 0.001 0.000 0.552 248 S N 1.687 117.373 115.700 -0.024 0.000 2.603 248 S HA -0.011 4.500 4.470 0.068 0.000 0.229 248 S C 0.044 174.600 174.600 -0.074 0.000 0.972 248 S CA 1.541 59.763 58.200 0.037 0.000 0.935 248 S CB -0.641 62.684 63.200 0.209 0.000 0.769 248 S HN -0.450 7.798 8.310 -0.026 0.047 0.536 249 A N -0.950 121.701 122.820 -0.281 0.000 2.606 249 A HA 0.331 4.504 4.320 -0.245 0.000 0.290 249 A C -0.097 177.414 177.584 -0.122 0.000 1.174 249 A CA -0.178 51.649 52.037 -0.349 0.000 0.958 249 A CB -0.062 18.474 19.000 -0.774 0.000 1.194 249 A HN -0.426 7.496 8.150 -0.246 0.081 0.526 250 Q N -0.238 119.543 119.800 -0.031 0.000 2.364 250 Q HA -0.283 4.053 4.340 -0.007 0.000 0.209 250 Q C -0.454 175.602 176.000 0.094 0.000 0.977 250 Q CA 2.315 58.131 55.803 0.023 0.000 0.885 250 Q CB -0.635 28.128 28.738 0.043 0.000 0.941 250 Q HN -0.531 7.725 8.270 -0.024 0.000 0.464 251 Y N -4.093 116.193 120.300 -0.023 0.000 2.458 251 Y HA 0.013 4.561 4.550 -0.003 0.000 0.256 251 Y C -1.131 174.766 175.900 -0.005 0.000 1.159 251 Y CA -1.382 56.715 58.100 -0.005 0.000 1.261 251 Y CB 0.574 39.039 38.460 0.008 0.000 1.119 251 Y HN -0.641 7.707 8.280 0.187 0.044 0.524 252 I N 1.368 121.945 120.570 0.012 0.000 2.312 252 I HA 0.010 4.179 4.170 -0.002 0.000 0.291 252 I C -1.346 174.727 176.117 -0.073 0.000 1.031 252 I CA 0.163 61.452 61.300 -0.019 0.000 1.293 252 I CB -0.022 37.977 38.000 -0.001 0.000 1.403 252 I HN -0.561 7.482 8.210 0.017 0.177 0.484 253 T N 6.990 121.492 114.554 -0.087 0.000 2.956 253 T HA 0.076 4.543 4.350 -0.062 -0.154 0.312 253 T C 0.125 174.792 174.700 -0.055 0.000 1.151 253 T CA -0.787 61.269 62.100 -0.074 0.000 1.024 253 T CB 2.052 70.867 68.868 -0.088 0.000 1.140 253 T HN -0.279 7.903 8.240 -0.096 0.000 0.473 254 G N 6.509 115.286 108.800 -0.038 0.000 2.148 254 G HA2 -0.483 3.463 3.960 -0.024 0.000 0.254 254 G HA3 -0.483 3.505 3.960 -0.023 -0.042 0.254 254 G C -1.163 173.728 174.900 -0.015 0.000 0.981 254 G CA 0.515 45.600 45.100 -0.025 0.000 0.670 254 G HN 0.462 8.758 8.290 -0.040 -0.030 0.528 255 S N 0.872 116.566 115.700 -0.009 0.000 2.508 255 S HA 0.274 4.749 4.470 0.009 0.000 0.284 255 S C -1.026 173.577 174.600 0.005 0.000 1.192 255 S CA 0.126 58.331 58.200 0.008 0.000 1.070 255 S CB 1.450 64.669 63.200 0.032 0.000 1.004 255 S HN -0.407 8.123 8.310 -0.015 -0.228 0.493 256 I N 4.437 125.010 120.570 0.005 0.000 2.382 256 I HA 0.289 4.648 4.170 -0.005 -0.192 0.285 256 I C -0.436 175.686 176.117 0.008 0.000 1.007 256 I CA -0.867 60.431 61.300 -0.003 0.000 1.142 256 I CB 1.219 39.207 38.000 -0.021 0.000 1.289 256 I HN 0.418 8.633 8.210 0.007 0.000 0.453 257 I N 9.030 129.612 120.570 0.019 0.000 2.301 257 I HA 0.091 4.275 4.170 0.023 0.000 0.292 257 I C -0.718 175.400 176.117 0.003 0.000 1.046 257 I CA -0.805 60.509 61.300 0.024 0.000 1.282 257 I CB 0.328 38.362 38.000 0.056 0.000 1.409 257 I HN 0.548 8.769 8.210 0.019 0.000 0.484 258 K N 8.365 128.762 120.400 -0.005 0.000 2.412 258 K HA -0.052 4.428 4.320 -0.020 -0.171 0.281 258 K C -0.406 176.184 176.600 -0.016 0.000 1.027 258 K CA 0.689 56.968 56.287 -0.014 0.000 0.989 258 K CB 0.461 32.953 32.500 -0.013 0.000 0.935 258 K HN 0.456 8.705 8.250 -0.002 0.000 0.475 259 V N 7.315 127.216 119.914 -0.022 0.000 2.313 259 V HA 0.182 4.288 4.120 -0.024 0.000 0.262 259 V C -1.230 174.847 176.094 -0.029 0.000 1.011 259 V CA -1.338 60.947 62.300 -0.025 0.000 0.858 259 V CB -0.934 30.875 31.823 -0.024 0.000 1.104 259 V HN 0.274 8.449 8.190 -0.026 0.000 0.456 260 D N 2.320 122.706 120.400 -0.023 0.000 2.525 260 D HA 0.065 4.688 4.640 -0.028 0.000 0.231 260 D C 0.840 177.135 176.300 -0.008 0.000 1.216 260 D CA -0.699 53.289 54.000 -0.020 0.000 0.813 260 D CB 1.039 41.830 40.800 -0.016 0.000 1.108 260 D HN 0.106 8.464 8.370 -0.019 0.000 0.524 261 G N -0.173 108.621 108.800 -0.010 0.000 2.187 261 G HA2 -0.401 3.557 3.960 -0.002 0.000 0.261 261 G HA3 -0.401 3.554 3.960 -0.008 0.000 0.261 261 G C 0.231 175.131 174.900 -0.000 0.000 1.000 261 G CA 0.434 45.531 45.100 -0.005 0.000 0.718 261 G HN 0.172 8.453 8.290 -0.014 0.000 0.519 262 G N -3.202 105.598 108.800 -0.000 0.000 2.176 262 G HA2 -0.461 3.499 3.960 0.000 0.000 0.253 262 G HA3 -0.461 3.500 3.960 0.002 0.000 0.253 262 G C 0.961 175.867 174.900 0.011 0.000 0.979 262 G CA 0.402 45.504 45.100 0.003 0.000 0.641 262 G HN -0.132 8.364 8.290 -0.003 -0.208 0.530 263 L N 1.474 122.710 121.223 0.021 0.000 2.042 263 L HA -0.259 4.107 4.340 0.043 0.000 0.210 263 L C 1.253 178.151 176.870 0.047 0.000 1.076 263 L CA 2.892 57.759 54.840 0.045 0.000 0.749 263 L CB -0.083 42.019 42.059 0.070 0.000 0.893 263 L HN -0.278 7.808 8.230 0.017 0.154 0.432 264 S N -2.714 113.008 115.700 0.036 0.000 2.474 264 S HA -0.169 4.332 4.470 0.052 0.000 0.235 264 S C 1.199 175.821 174.600 0.036 0.000 0.997 264 S CA 2.058 60.281 58.200 0.038 0.000 0.949 264 S CB -0.267 62.947 63.200 0.024 0.000 0.766 264 S HN -0.389 8.213 8.310 0.026 -0.277 0.517 265 L N -0.925 120.313 121.223 0.025 0.000 2.558 265 L HA 0.106 4.466 4.340 0.033 0.000 0.225 265 L C 0.071 176.951 176.870 0.016 0.000 1.128 265 L CA -0.201 54.654 54.840 0.024 0.000 0.868 265 L CB 0.398 42.466 42.059 0.015 0.000 1.006 265 L HN -0.529 7.543 8.230 0.020 0.170 0.454 266 V N 0.724 120.636 119.914 -0.002 0.000 2.408 266 V HA -0.122 3.927 4.120 -0.119 0.000 0.267 266 V C -0.108 175.963 176.094 -0.039 0.000 1.047 266 V CA -0.419 61.839 62.300 -0.069 0.000 0.937 266 V CB -0.394 31.384 31.823 -0.075 0.000 0.999 266 V HN -0.817 7.313 8.190 0.011 0.066 0.472 267 H N 6.980 126.060 119.070 0.016 0.000 2.671 267 H HA -0.049 4.519 4.556 0.019 0.000 0.372 267 H C -0.214 175.117 175.328 0.006 0.000 1.227 267 H CA -0.909 55.148 56.048 0.014 0.000 1.426 267 H CB -0.084 29.684 29.762 0.010 0.000 1.480 267 H HN -0.026 8.126 8.280 -0.214 0.000 0.611 268 A N 0.000 122.963 122.820 0.239 0.000 2.254 268 A HA 0.000 4.365 4.320 0.075 0.000 0.244 268 A CA 0.000 52.126 52.037 0.147 0.000 0.836 268 A CB 0.000 19.058 19.000 0.096 0.000 0.831 268 A HN 0.000 8.287 8.150 0.228 0.000 0.486