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 3mci_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEKKAVIGVV TISDRASKGI YEDISGKAII DYLKDVIITP FEVEYRVIPD DATA SEQUENCE ERDLIEKTLI ELADEKGCSL ILTTGGTGPA PRDVTPEATE AVCEKMLPGF DATA SEQUENCE GELMRQVSLK QVPTAILSRQ TAGIRGSCLI VNLPGKPQSI KVCLDAVMPA DATA SEQUENCE IPYCIDLIGG AYIDTDPNKV KAFRPKK 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 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.620 174.600 0.034 0.000 1.055 2 S CA 0.000 58.220 58.200 0.033 0.000 1.107 2 S CB 0.000 63.254 63.200 0.091 0.000 0.593 3 E N 1.451 121.667 120.200 0.027 0.000 2.479 3 E HA 0.108 4.459 4.350 0.001 0.000 0.193 3 E C 0.001 176.626 176.600 0.041 0.000 1.049 3 E CA -0.113 56.303 56.400 0.027 0.000 0.870 3 E CB 0.197 29.906 29.700 0.015 0.000 0.944 3 E HN 0.350 8.710 8.360 -0.000 0.000 0.492 4 K N 2.124 122.554 120.400 0.051 0.000 2.485 4 K HA -0.011 4.309 4.320 0.001 0.000 0.277 4 K C 0.065 176.706 176.600 0.068 0.000 0.990 4 K CA 0.164 56.484 56.287 0.054 0.000 0.994 4 K CB 0.525 33.059 32.500 0.056 0.000 0.906 4 K HN -0.240 8.010 8.250 -0.000 0.000 0.488 5 K N 2.463 122.899 120.400 0.061 0.000 2.297 5 K HA 0.217 4.538 4.320 0.001 0.000 0.286 5 K C -1.049 175.601 176.600 0.084 0.000 1.053 5 K CA -0.218 56.111 56.287 0.070 0.000 0.940 5 K CB 1.132 33.664 32.500 0.054 0.000 1.019 5 K HN 0.709 8.959 8.250 -0.000 0.000 0.475 6 A N 4.365 127.252 122.820 0.112 0.000 2.395 6 A HA 0.331 4.652 4.320 0.001 0.000 0.286 6 A C -0.464 177.216 177.584 0.160 0.000 1.193 6 A CA -0.458 51.656 52.037 0.129 0.000 0.852 6 A CB 0.155 19.246 19.000 0.151 0.000 1.118 6 A HN 0.379 8.529 8.150 -0.000 0.000 0.524 7 V N 5.068 125.056 119.914 0.123 0.000 2.444 7 V HA 0.382 4.503 4.120 0.001 0.000 0.294 7 V C -0.241 175.925 176.094 0.120 0.000 1.022 7 V CA -0.221 62.159 62.300 0.133 0.000 0.850 7 V CB 1.437 33.313 31.823 0.087 0.000 0.992 7 V HN 0.750 8.940 8.190 -0.000 0.000 0.426 8 I N 3.844 124.514 120.570 0.166 0.000 2.378 8 I HA 0.588 4.759 4.170 0.001 0.000 0.291 8 I C 0.836 177.025 176.117 0.119 0.000 0.992 8 I CA -0.344 61.022 61.300 0.111 0.000 1.154 8 I CB 1.858 39.902 38.000 0.073 0.000 1.315 8 I HN 0.715 8.925 8.210 -0.000 0.000 0.448 9 G N 5.313 114.162 108.800 0.082 0.000 2.377 9 G HA2 0.555 4.516 3.960 0.001 0.000 0.299 9 G HA3 0.555 4.516 3.960 0.001 0.000 0.299 9 G C -0.772 174.187 174.900 0.098 0.000 1.150 9 G CA -0.268 44.885 45.100 0.089 0.000 0.847 9 G HN 0.361 8.651 8.290 -0.000 0.000 0.501 10 V N 2.608 122.610 119.914 0.147 0.000 2.419 10 V HA 0.310 4.430 4.120 0.001 0.000 0.287 10 V C -0.388 175.822 176.094 0.193 0.000 1.017 10 V CA -0.632 61.773 62.300 0.174 0.000 0.844 10 V CB 1.537 33.490 31.823 0.217 0.000 1.011 10 V HN 0.547 8.737 8.190 -0.000 0.000 0.429 11 V N 3.639 123.617 119.914 0.106 0.000 2.357 11 V HA 0.429 4.549 4.120 0.001 0.000 0.284 11 V C 0.370 176.497 176.094 0.055 0.000 1.018 11 V CA -0.286 62.045 62.300 0.053 0.000 0.841 11 V CB 1.898 33.731 31.823 0.017 0.000 0.991 11 V HN 0.843 9.033 8.190 -0.000 0.000 0.437 12 T N 6.694 121.273 114.554 0.042 0.000 2.733 12 T HA 0.560 4.911 4.350 0.001 0.000 0.294 12 T C 0.020 174.728 174.700 0.014 0.000 0.956 12 T CA 0.034 62.166 62.100 0.054 0.000 0.987 12 T CB 0.371 69.296 68.868 0.095 0.000 0.920 12 T HN 0.426 8.666 8.240 -0.000 0.000 0.470 13 I N 3.487 124.070 120.570 0.021 0.000 2.361 13 I HA 0.398 4.569 4.170 0.001 0.000 0.282 13 I C 0.309 176.440 176.117 0.022 0.000 1.075 13 I CA -0.267 61.039 61.300 0.011 0.000 1.205 13 I CB 0.676 38.681 38.000 0.008 0.000 1.406 13 I HN 0.480 8.690 8.210 -0.000 0.000 0.481 14 S N 3.348 119.060 115.700 0.021 0.000 2.649 14 S HA 0.174 4.645 4.470 0.001 0.000 0.274 14 S C 0.260 174.869 174.600 0.014 0.000 1.176 14 S CA -0.663 57.558 58.200 0.036 0.000 0.988 14 S CB 1.480 64.724 63.200 0.074 0.000 1.071 14 S HN 0.674 8.984 8.310 -0.000 0.000 0.478 15 D N 3.627 124.028 120.400 0.002 0.000 2.104 15 D HA -0.069 4.572 4.640 0.001 0.000 0.194 15 D C 1.911 178.184 176.300 -0.046 0.000 0.994 15 D CA 1.642 55.628 54.000 -0.022 0.000 0.830 15 D CB 0.175 40.960 40.800 -0.026 0.000 0.959 15 D HN 0.621 8.991 8.370 -0.000 0.000 0.452 16 R N -0.250 120.209 120.500 -0.069 0.000 2.092 16 R HA 0.019 4.360 4.340 0.001 0.000 0.231 16 R C 2.332 178.583 176.300 -0.082 0.000 1.119 16 R CA 1.093 57.091 56.100 -0.169 0.000 0.970 16 R CB -0.257 29.785 30.300 -0.429 0.000 0.864 16 R HN 0.185 8.455 8.270 -0.000 0.000 0.440 17 A N 0.933 123.768 122.820 0.026 0.000 1.898 17 A HA -0.173 4.148 4.320 0.001 0.000 0.216 17 A C 2.175 179.771 177.584 0.020 0.000 1.181 17 A CA 1.855 53.932 52.037 0.067 0.000 0.620 17 A CB -0.561 18.498 19.000 0.099 0.000 0.819 17 A HN 0.435 8.585 8.150 -0.000 0.000 0.442 18 S N -0.218 115.479 115.700 -0.005 0.000 2.423 18 S HA -0.106 4.364 4.470 0.001 0.000 0.231 18 S C 1.575 176.159 174.600 -0.026 0.000 1.014 18 S CA 1.463 59.650 58.200 -0.023 0.000 0.965 18 S CB -0.277 62.905 63.200 -0.030 0.000 0.785 18 S HN 0.607 8.917 8.310 -0.000 0.000 0.495 19 K N 0.575 120.954 120.400 -0.035 0.000 2.393 19 K HA 0.287 4.608 4.320 0.001 0.000 0.193 19 K C 0.993 177.573 176.600 -0.034 0.000 1.026 19 K CA 0.366 56.629 56.287 -0.040 0.000 1.064 19 K CB 0.092 32.557 32.500 -0.058 0.000 0.833 19 K HN 0.526 8.776 8.250 -0.000 0.000 0.521 20 G N 1.710 110.497 108.800 -0.022 0.000 2.171 20 G HA2 -0.230 3.731 3.960 0.001 0.000 0.238 20 G HA3 -0.230 3.731 3.960 0.001 0.000 0.238 20 G C 0.499 175.389 174.900 -0.017 0.000 1.039 20 G CA -0.024 45.074 45.100 -0.003 0.000 0.759 20 G HN 0.264 8.554 8.290 -0.000 0.000 0.501 21 I N -1.533 118.997 120.570 -0.066 0.000 2.927 21 I HA 0.253 4.424 4.170 0.001 0.000 0.268 21 I C 0.682 176.779 176.117 -0.033 0.000 1.153 21 I CA 0.454 61.669 61.300 -0.140 0.000 1.459 21 I CB 0.073 37.867 38.000 -0.344 0.000 1.149 21 I HN 0.138 8.348 8.210 -0.000 0.000 0.443 22 Y N 0.750 121.059 120.300 0.015 0.000 2.524 22 Y HA 0.413 4.963 4.550 0.001 0.000 0.344 22 Y C 0.139 176.055 175.900 0.026 0.000 1.012 22 Y CA -2.238 55.874 58.100 0.019 0.000 1.068 22 Y CB 0.776 39.247 38.460 0.019 0.000 1.249 22 Y HN -0.070 8.210 8.280 -0.000 0.000 0.468 23 E N 1.092 121.410 120.200 0.196 0.000 2.331 23 E HA 0.043 4.393 4.350 0.001 0.000 0.272 23 E C -0.924 175.746 176.600 0.118 0.000 1.036 23 E CA -0.423 56.050 56.400 0.121 0.000 0.864 23 E CB 0.695 30.441 29.700 0.076 0.000 1.035 23 E HN 0.583 8.943 8.360 -0.000 0.000 0.408 24 D N 5.092 125.567 120.400 0.124 0.000 2.551 24 D HA 0.018 4.659 4.640 0.001 0.000 0.223 24 D C 1.146 177.499 176.300 0.089 0.000 1.144 24 D CA -0.118 53.960 54.000 0.130 0.000 1.025 24 D CB -0.378 40.542 40.800 0.199 0.000 1.085 24 D HN 0.552 8.922 8.370 -0.000 0.000 0.506 25 I N -0.992 119.609 120.570 0.051 0.000 2.830 25 I HA -0.100 4.071 4.170 0.001 0.000 0.263 25 I C 1.471 177.603 176.117 0.024 0.000 1.230 25 I CA 0.185 61.500 61.300 0.024 0.000 1.480 25 I CB -0.076 37.923 38.000 -0.000 0.000 1.095 25 I HN 0.011 8.221 8.210 -0.000 0.000 0.455 26 S N 2.111 117.833 115.700 0.038 0.000 2.338 26 S HA -0.011 4.460 4.470 0.001 0.000 0.218 26 S C 2.136 176.764 174.600 0.048 0.000 1.032 26 S CA 1.393 59.614 58.200 0.036 0.000 0.999 26 S CB -0.931 62.296 63.200 0.044 0.000 0.905 26 S HN 0.683 8.993 8.310 -0.000 0.000 0.439 27 G N 1.682 110.538 108.800 0.093 0.000 2.440 27 G HA2 -0.266 3.695 3.960 0.001 0.000 0.218 27 G HA3 -0.266 3.695 3.960 0.001 0.000 0.218 27 G C 1.317 176.195 174.900 -0.036 0.000 1.154 27 G CA 1.170 46.334 45.100 0.106 0.000 0.767 27 G HN 0.487 8.777 8.290 -0.000 0.000 0.552 28 K N 0.559 120.933 120.400 -0.042 0.000 2.097 28 K HA 0.057 4.378 4.320 0.001 0.000 0.206 28 K C 2.753 179.340 176.600 -0.021 0.000 1.049 28 K CA 1.236 57.480 56.287 -0.071 0.000 0.933 28 K CB -0.294 32.185 32.500 -0.035 0.000 0.717 28 K HN 0.215 8.465 8.250 -0.000 0.000 0.442 29 A N 1.196 124.020 122.820 0.007 0.000 1.933 29 A HA -0.108 4.213 4.320 0.001 0.000 0.218 29 A C 2.040 179.658 177.584 0.057 0.000 1.175 29 A CA 1.343 53.398 52.037 0.031 0.000 0.628 29 A CB -0.484 18.527 19.000 0.019 0.000 0.814 29 A HN 0.337 8.487 8.150 -0.000 0.000 0.444 30 I N -0.352 120.238 120.570 0.033 0.000 2.252 30 I HA -0.230 3.940 4.170 0.001 0.000 0.245 30 I C 2.269 178.444 176.117 0.095 0.000 1.102 30 I CA 1.222 62.551 61.300 0.048 0.000 1.385 30 I CB -0.353 37.664 38.000 0.028 0.000 1.064 30 I HN 0.292 8.502 8.210 -0.000 0.000 0.414 31 I N 0.678 121.273 120.570 0.041 0.000 2.226 31 I HA -0.288 3.883 4.170 0.001 0.000 0.245 31 I C 2.057 178.228 176.117 0.091 0.000 1.100 31 I CA 1.341 62.672 61.300 0.052 0.000 1.374 31 I CB -0.544 37.419 38.000 -0.061 0.000 1.057 31 I HN 0.234 8.444 8.210 -0.000 0.000 0.413 32 D N 0.129 120.570 120.400 0.067 0.000 2.144 32 D HA -0.227 4.414 4.640 0.001 0.000 0.199 32 D C 1.924 178.283 176.300 0.098 0.000 0.984 32 D CA 1.348 55.389 54.000 0.068 0.000 0.834 32 D CB -0.295 40.533 40.800 0.048 0.000 0.955 32 D HN 0.384 8.754 8.370 -0.000 0.000 0.465 33 Y N 1.423 121.729 120.300 0.010 0.000 2.163 33 Y HA -0.151 4.400 4.550 0.002 0.000 0.288 33 Y C 2.278 178.179 175.900 0.002 0.000 1.136 33 Y CA 1.261 59.362 58.100 0.003 0.000 1.147 33 Y CB -0.324 38.133 38.460 -0.005 0.000 0.987 33 Y HN -0.117 8.163 8.280 -0.000 0.000 0.509 34 L N 0.216 121.551 121.223 0.187 0.000 2.012 34 L HA -0.291 4.049 4.340 0.001 0.000 0.210 34 L C 2.397 179.301 176.870 0.057 0.000 1.073 34 L CA 1.979 56.845 54.840 0.044 0.000 0.748 34 L CB -0.594 41.488 42.059 0.038 0.000 0.891 34 L HN 0.166 8.396 8.230 -0.000 0.000 0.431 35 K N -0.461 120.058 120.400 0.199 0.000 2.147 35 K HA -0.210 4.111 4.320 0.001 0.000 0.205 35 K C 1.692 178.330 176.600 0.063 0.000 1.049 35 K CA 1.535 57.953 56.287 0.217 0.000 0.936 35 K CB -0.172 32.412 32.500 0.139 0.000 0.722 35 K HN 0.240 8.490 8.250 -0.000 0.000 0.446 36 D N 0.256 120.634 120.400 -0.036 0.000 2.149 36 D HA -0.120 4.521 4.640 0.001 0.000 0.201 36 D C 1.661 177.867 176.300 -0.156 0.000 0.972 36 D CA 1.065 55.003 54.000 -0.103 0.000 0.835 36 D CB 0.389 41.099 40.800 -0.151 0.000 0.966 36 D HN 0.080 8.450 8.370 -0.000 0.000 0.476 37 V N -1.532 118.233 119.914 -0.249 0.000 3.621 37 V HA 0.340 4.461 4.120 0.001 0.000 0.263 37 V C 0.946 176.956 176.094 -0.139 0.000 1.272 37 V CA -0.267 61.891 62.300 -0.237 0.000 1.080 37 V CB -0.241 31.341 31.823 -0.402 0.000 0.816 37 V HN -0.014 8.176 8.190 -0.000 0.000 0.451 38 I N 2.452 122.956 120.570 -0.111 0.000 2.416 38 I HA 0.265 4.436 4.170 0.001 0.000 0.288 38 I C 0.889 177.019 176.117 0.022 0.000 1.051 38 I CA -0.109 61.139 61.300 -0.086 0.000 1.375 38 I CB 1.456 39.318 38.000 -0.231 0.000 1.407 38 I HN 0.336 8.546 8.210 -0.000 0.000 0.516 39 I N 2.523 123.097 120.570 0.007 0.000 3.856 39 I HA 0.260 4.431 4.170 0.001 0.000 0.333 39 I C 0.038 176.198 176.117 0.072 0.000 1.525 39 I CA -0.200 61.125 61.300 0.040 0.000 1.173 39 I CB -0.237 37.775 38.000 0.020 0.000 1.175 39 I HN 0.515 8.725 8.210 -0.000 0.000 0.424 40 T N -1.184 113.433 114.554 0.104 0.000 2.906 40 T HA 0.572 4.923 4.350 0.001 0.000 0.295 40 T C -2.919 171.917 174.700 0.227 0.000 1.075 40 T CA -1.747 60.436 62.100 0.138 0.000 1.005 40 T CB 1.819 70.747 68.868 0.100 0.000 1.136 40 T HN -0.020 8.220 8.240 -0.000 0.000 0.498 41 P HA 0.396 4.816 4.420 -0.000 0.000 0.271 41 P C -1.052 176.397 177.300 0.248 0.000 1.220 41 P CA -0.180 63.008 63.100 0.148 0.000 0.768 41 P CB -0.063 31.684 31.700 0.080 0.000 0.848 42 F N -0.921 119.039 119.950 0.017 0.000 2.678 42 F HA 0.581 5.109 4.527 0.002 0.000 0.308 42 F C -1.096 174.714 175.800 0.017 0.000 1.118 42 F CA -1.161 56.850 58.000 0.018 0.000 0.959 42 F CB 1.480 40.488 39.000 0.013 0.000 1.305 42 F HN 0.171 8.471 8.300 -0.000 0.000 0.443 43 E N 1.448 121.692 120.200 0.073 0.000 2.222 43 E HA 0.708 5.058 4.350 0.001 0.000 0.267 43 E C -1.447 175.241 176.600 0.147 0.000 0.963 43 E CA -1.413 54.979 56.400 -0.013 0.000 0.837 43 E CB 2.924 32.637 29.700 0.022 0.000 1.183 43 E HN 0.504 8.864 8.360 -0.000 0.000 0.403 44 V N 2.172 122.139 119.914 0.088 0.000 2.495 44 V HA 0.198 4.319 4.120 0.001 0.000 0.298 44 V C -0.513 175.659 176.094 0.129 0.000 1.031 44 V CA -0.754 61.642 62.300 0.160 0.000 0.871 44 V CB 1.755 33.671 31.823 0.156 0.000 0.988 44 V HN 0.572 8.762 8.190 -0.000 0.000 0.432 45 E N 3.722 124.007 120.200 0.142 0.000 2.063 45 E HA 0.261 4.612 4.350 0.001 0.000 0.265 45 E C -1.409 175.301 176.600 0.184 0.000 0.919 45 E CA -0.463 56.014 56.400 0.127 0.000 0.756 45 E CB 1.513 31.265 29.700 0.087 0.000 1.120 45 E HN 0.576 8.936 8.360 -0.000 0.000 0.414 46 Y N 4.069 124.392 120.300 0.038 0.000 2.320 46 Y HA 0.379 4.929 4.550 0.001 0.000 0.334 46 Y C -0.595 175.320 175.900 0.026 0.000 1.055 46 Y CA -0.687 57.434 58.100 0.035 0.000 1.143 46 Y CB 0.664 39.146 38.460 0.037 0.000 1.193 46 Y HN 0.202 8.482 8.280 -0.000 0.000 0.477 47 R N 4.751 125.059 120.500 -0.319 0.000 2.621 47 R HA 0.603 4.943 4.340 0.001 0.000 0.284 47 R C -1.860 174.175 176.300 -0.441 0.000 0.998 47 R CA -1.057 54.825 56.100 -0.363 0.000 0.895 47 R CB 1.773 31.992 30.300 -0.134 0.000 1.195 47 R HN 0.496 8.766 8.270 -0.000 0.000 0.450 48 V N 4.781 124.459 119.914 -0.394 0.000 2.444 48 V HA 0.593 4.714 4.120 0.001 0.000 0.294 48 V C 0.161 176.176 176.094 -0.131 0.000 1.022 48 V CA -0.705 61.449 62.300 -0.244 0.000 0.850 48 V CB 1.726 33.408 31.823 -0.235 0.000 0.992 48 V HN 0.705 8.895 8.190 -0.000 0.000 0.426 49 I N 3.186 123.709 120.570 -0.078 0.000 2.969 49 I HA 0.788 4.959 4.170 0.001 0.000 0.307 49 I C -2.809 173.290 176.117 -0.031 0.000 1.149 49 I CA -2.645 58.624 61.300 -0.052 0.000 1.008 49 I CB 2.915 40.888 38.000 -0.046 0.000 1.232 49 I HN 0.346 8.556 8.210 -0.000 0.000 0.435 50 P HA 0.095 4.515 4.420 -0.000 0.000 0.274 50 P C -1.025 176.267 177.300 -0.014 0.000 1.246 50 P CA -0.078 63.010 63.100 -0.019 0.000 0.795 50 P CB 0.512 32.199 31.700 -0.022 0.000 1.006 51 D N -0.100 120.295 120.400 -0.009 0.000 2.608 51 D HA 0.080 4.721 4.640 0.001 0.000 0.224 51 D C -0.451 175.845 176.300 -0.008 0.000 1.123 51 D CA -0.011 53.986 54.000 -0.005 0.000 1.030 51 D CB -0.628 40.172 40.800 0.000 0.000 1.093 51 D HN 0.294 8.664 8.370 -0.000 0.000 0.497 52 E N 0.966 121.160 120.200 -0.010 0.000 2.114 52 E HA 0.175 4.525 4.350 0.001 0.000 0.266 52 E C 1.003 177.598 176.600 -0.010 0.000 0.896 52 E CA -0.707 55.687 56.400 -0.010 0.000 0.750 52 E CB 2.166 31.858 29.700 -0.012 0.000 1.121 52 E HN 0.193 8.553 8.360 -0.000 0.000 0.413 53 R N 2.910 123.405 120.500 -0.008 0.000 2.134 53 R HA -0.285 4.055 4.340 0.001 0.000 0.248 53 R C 1.467 177.762 176.300 -0.009 0.000 1.143 53 R CA 2.547 58.643 56.100 -0.008 0.000 0.957 53 R CB -0.002 30.294 30.300 -0.007 0.000 0.867 53 R HN 0.527 8.797 8.270 -0.000 0.000 0.441 54 D N -0.390 120.004 120.400 -0.009 0.000 2.117 54 D HA -0.176 4.465 4.640 0.001 0.000 0.197 54 D C 1.836 178.129 176.300 -0.011 0.000 0.987 54 D CA 1.065 55.060 54.000 -0.010 0.000 0.829 54 D CB -0.066 40.729 40.800 -0.009 0.000 0.961 54 D HN 0.251 8.621 8.370 -0.000 0.000 0.460 55 L N 0.260 121.475 121.223 -0.013 0.000 2.093 55 L HA 0.003 4.344 4.340 0.001 0.000 0.208 55 L C 2.025 178.885 176.870 -0.016 0.000 1.085 55 L CA 1.333 56.164 54.840 -0.015 0.000 0.755 55 L CB -0.418 41.630 42.059 -0.017 0.000 0.904 55 L HN 0.177 8.407 8.230 -0.000 0.000 0.435 56 I N -0.594 119.967 120.570 -0.014 0.000 2.179 56 I HA -0.289 3.881 4.170 0.001 0.000 0.242 56 I C 2.373 178.482 176.117 -0.013 0.000 1.088 56 I CA 1.525 62.817 61.300 -0.013 0.000 1.357 56 I CB -0.425 37.569 38.000 -0.011 0.000 1.051 56 I HN 0.325 8.535 8.210 -0.000 0.000 0.409 57 E N 0.876 121.068 120.200 -0.012 0.000 2.077 57 E HA -0.227 4.123 4.350 0.001 0.000 0.193 57 E C 2.189 178.782 176.600 -0.012 0.000 0.989 57 E CA 1.100 57.493 56.400 -0.012 0.000 0.800 57 E CB -0.032 29.662 29.700 -0.011 0.000 0.746 57 E HN 0.404 8.764 8.360 -0.000 0.000 0.452 58 K N 0.047 120.440 120.400 -0.012 0.000 2.097 58 K HA -0.086 4.235 4.320 0.001 0.000 0.206 58 K C 2.223 178.816 176.600 -0.011 0.000 1.049 58 K CA 1.414 57.695 56.287 -0.011 0.000 0.933 58 K CB -0.015 32.479 32.500 -0.011 0.000 0.717 58 K HN 0.055 8.305 8.250 -0.000 0.000 0.442 59 T N 1.804 116.350 114.554 -0.014 0.000 2.737 59 T HA -0.056 4.295 4.350 0.001 0.000 0.265 59 T C 1.843 176.537 174.700 -0.010 0.000 1.038 59 T CA 0.878 62.969 62.100 -0.014 0.000 1.144 59 T CB -0.128 68.728 68.868 -0.020 0.000 0.866 59 T HN 0.094 8.334 8.240 -0.000 0.000 0.434 60 L N 0.390 121.607 121.223 -0.011 0.000 2.042 60 L HA -0.061 4.279 4.340 0.001 0.000 0.210 60 L C 2.491 179.356 176.870 -0.009 0.000 1.076 60 L CA 1.314 56.148 54.840 -0.010 0.000 0.749 60 L CB -0.613 41.438 42.059 -0.014 0.000 0.893 60 L HN 0.265 8.495 8.230 -0.000 0.000 0.432 61 I N -0.404 120.160 120.570 -0.010 0.000 2.286 61 I HA -0.284 3.886 4.170 0.001 0.000 0.248 61 I C 2.674 178.788 176.117 -0.005 0.000 1.115 61 I CA 1.270 62.565 61.300 -0.008 0.000 1.392 61 I CB -0.259 37.736 38.000 -0.009 0.000 1.065 61 I HN 0.371 8.581 8.210 -0.000 0.000 0.418 62 E N 1.423 121.620 120.200 -0.004 0.000 2.051 62 E HA -0.212 4.138 4.350 0.001 0.000 0.192 62 E C 2.400 179.002 176.600 0.003 0.000 0.991 62 E CA 1.178 57.578 56.400 -0.001 0.000 0.799 62 E CB -0.013 29.686 29.700 -0.003 0.000 0.748 62 E HN 0.448 8.808 8.360 -0.000 0.000 0.449 63 L N 0.348 121.574 121.223 0.005 0.000 2.083 63 L HA -0.170 4.171 4.340 0.001 0.000 0.209 63 L C 2.631 179.508 176.870 0.012 0.000 1.083 63 L CA 1.102 55.949 54.840 0.012 0.000 0.752 63 L CB -0.434 41.635 42.059 0.016 0.000 0.899 63 L HN 0.221 8.451 8.230 -0.000 0.000 0.433 64 A N -0.031 122.791 122.820 0.004 0.000 1.843 64 A HA -0.150 4.170 4.320 0.001 0.000 0.213 64 A C 1.873 179.459 177.584 0.003 0.000 1.202 64 A CA 1.565 53.603 52.037 0.002 0.000 0.607 64 A CB -0.444 18.552 19.000 -0.007 0.000 0.847 64 A HN 0.298 8.448 8.150 -0.000 0.000 0.445 65 D N -0.359 120.042 120.400 0.001 0.000 2.149 65 D HA -0.045 4.596 4.640 0.001 0.000 0.201 65 D C 1.855 178.158 176.300 0.005 0.000 0.972 65 D CA 1.410 55.411 54.000 0.002 0.000 0.835 65 D CB -0.113 40.686 40.800 -0.001 0.000 0.966 65 D HN 0.676 9.046 8.370 -0.000 0.000 0.476 66 E N -0.410 119.794 120.200 0.006 0.000 2.206 66 E HA 0.071 4.422 4.350 0.001 0.000 0.195 66 E C 1.525 178.133 176.600 0.012 0.000 0.935 66 E CA 0.176 56.581 56.400 0.008 0.000 0.875 66 E CB 0.386 30.090 29.700 0.006 0.000 0.841 66 E HN -0.052 8.308 8.360 -0.000 0.000 0.477 67 K N 0.178 120.587 120.400 0.015 0.000 2.418 67 K HA 0.073 4.393 4.320 0.001 0.000 0.195 67 K C 1.006 177.621 176.600 0.026 0.000 1.035 67 K CA 0.724 57.024 56.287 0.022 0.000 1.003 67 K CB 0.439 32.956 32.500 0.027 0.000 0.793 67 K HN 0.280 8.530 8.250 -0.000 0.000 0.494 68 G N 1.911 110.724 108.800 0.022 0.000 2.221 68 G HA2 -0.288 3.672 3.960 0.001 0.000 0.265 68 G HA3 -0.288 3.672 3.960 0.001 0.000 0.265 68 G C 0.319 175.237 174.900 0.030 0.000 1.041 68 G CA 0.179 45.293 45.100 0.024 0.000 0.807 68 G HN 0.285 8.575 8.290 -0.000 0.000 0.502 69 C N 0.112 119.430 119.300 0.029 0.000 2.662 69 C HA 0.477 4.937 4.460 0.001 0.000 0.420 69 C C 2.026 177.028 174.990 0.021 0.000 1.314 69 C CA 0.553 59.591 59.018 0.033 0.000 1.963 69 C CB 1.196 28.955 27.740 0.030 0.000 2.686 69 C HN 0.570 8.800 8.230 -0.000 0.000 0.609 70 S N 0.588 116.302 115.700 0.022 0.000 2.502 70 S HA 0.211 4.681 4.470 0.001 0.000 0.215 70 S C -0.086 174.510 174.600 -0.006 0.000 1.009 70 S CA 0.063 58.269 58.200 0.009 0.000 0.908 70 S CB 0.013 63.224 63.200 0.018 0.000 0.801 70 S HN 0.635 8.945 8.310 -0.000 0.000 0.505 71 L N 1.123 122.344 121.223 -0.003 0.000 2.455 71 L HA 0.622 4.963 4.340 0.001 0.000 0.264 71 L C -1.951 174.917 176.870 -0.003 0.000 0.968 71 L CA -0.429 54.402 54.840 -0.016 0.000 0.827 71 L CB 1.602 43.647 42.059 -0.024 0.000 1.317 71 L HN -0.001 8.229 8.230 -0.000 0.000 0.407 72 I N 5.797 126.359 120.570 -0.015 0.000 2.478 72 I HA 0.415 4.585 4.170 0.001 0.000 0.287 72 I C -1.158 174.954 176.117 -0.008 0.000 1.042 72 I CA -0.514 60.786 61.300 -0.000 0.000 1.067 72 I CB 1.929 39.926 38.000 -0.005 0.000 1.233 72 I HN 0.443 8.653 8.210 -0.000 0.000 0.431 73 L N 6.019 127.249 121.223 0.013 0.000 2.305 73 L HA 0.523 4.863 4.340 0.001 0.000 0.284 73 L C 0.277 177.161 176.870 0.023 0.000 1.013 73 L CA -0.508 54.338 54.840 0.009 0.000 0.819 73 L CB 1.864 43.931 42.059 0.013 0.000 1.227 73 L HN 0.602 8.832 8.230 -0.000 0.000 0.417 74 T N -1.104 113.457 114.554 0.011 0.000 2.945 74 T HA 0.584 4.934 4.350 0.001 0.000 0.286 74 T C -0.196 174.516 174.700 0.020 0.000 1.025 74 T CA -0.703 61.409 62.100 0.019 0.000 1.039 74 T CB 2.185 71.056 68.868 0.006 0.000 1.068 74 T HN 0.487 8.727 8.240 -0.000 0.000 0.497 75 T N 0.114 114.686 114.554 0.030 0.000 2.991 75 T HA 0.652 5.003 4.350 0.001 0.000 0.303 75 T C -0.097 174.621 174.700 0.029 0.000 1.015 75 T CA 0.750 62.866 62.100 0.028 0.000 1.007 75 T CB 0.271 69.162 68.868 0.038 0.000 1.034 75 T HN 1.987 10.227 8.240 -0.000 0.000 0.446 76 G N 2.056 110.869 108.800 0.023 0.000 2.629 76 G HA2 0.413 4.373 3.960 0.001 0.000 0.686 76 G HA3 0.413 4.373 3.960 0.001 0.000 0.686 76 G C 0.590 175.500 174.900 0.018 0.000 1.232 76 G CA 0.349 45.464 45.100 0.025 0.000 0.803 76 G HN 2.162 10.452 8.290 -0.000 0.000 0.638 77 G N -0.907 107.904 108.800 0.019 0.000 2.246 77 G HA2 0.151 4.112 3.960 0.001 0.000 0.273 77 G HA3 0.151 4.112 3.960 0.001 0.000 0.273 77 G C 0.928 175.834 174.900 0.009 0.000 1.055 77 G CA 1.597 46.705 45.100 0.013 0.000 0.851 77 G HN 2.619 10.909 8.290 -0.000 0.000 0.500 78 T N -2.857 111.703 114.554 0.010 0.000 3.182 78 T HA 0.603 4.954 4.350 0.001 0.000 0.277 78 T C 1.222 175.927 174.700 0.008 0.000 1.013 78 T CA 0.833 62.937 62.100 0.008 0.000 0.900 78 T CB 1.166 70.039 68.868 0.008 0.000 1.098 78 T HN 1.241 9.481 8.240 -0.000 0.000 0.543 79 G N 2.209 111.015 108.800 0.009 0.000 2.531 79 G HA2 0.551 4.512 3.960 0.001 0.000 0.281 79 G HA3 0.551 4.512 3.960 0.001 0.000 0.281 79 G C -1.463 173.441 174.900 0.007 0.000 1.382 79 G CA -1.457 43.648 45.100 0.008 0.000 1.045 79 G HN 0.081 8.371 8.290 -0.000 0.000 0.533 80 P HA 0.139 4.559 4.420 -0.000 0.000 0.235 80 P C 0.814 178.117 177.300 0.005 0.000 1.177 80 P CA 0.554 63.657 63.100 0.006 0.000 0.785 80 P CB 0.168 31.871 31.700 0.005 0.000 0.885 81 A N 2.719 125.543 122.820 0.007 0.000 2.531 81 A HA 0.180 4.501 4.320 0.001 0.000 0.236 81 A C -0.712 176.875 177.584 0.005 0.000 1.062 81 A CA -0.827 51.214 52.037 0.007 0.000 0.760 81 A CB -0.568 18.437 19.000 0.009 0.000 0.995 81 A HN 0.088 8.238 8.150 -0.000 0.000 0.501 82 P HA -0.182 4.238 4.420 -0.000 0.000 0.219 82 P C 1.040 178.341 177.300 0.002 0.000 1.146 82 P CA 1.254 64.356 63.100 0.002 0.000 0.808 82 P CB 0.091 31.792 31.700 0.002 0.000 0.779 83 R N -0.499 120.002 120.500 0.003 0.000 2.193 83 R HA 0.009 4.349 4.340 0.001 0.000 0.213 83 R C 0.124 176.426 176.300 0.003 0.000 1.055 83 R CA 0.389 56.491 56.100 0.002 0.000 0.995 83 R CB -0.358 29.943 30.300 0.003 0.000 0.893 83 R HN 0.180 8.450 8.270 -0.000 0.000 0.459 84 D N 1.105 121.509 120.400 0.005 0.000 2.416 84 D HA -0.001 4.639 4.640 0.001 0.000 0.240 84 D C 0.540 176.842 176.300 0.003 0.000 1.250 84 D CA 0.264 54.268 54.000 0.006 0.000 0.967 84 D CB 1.124 41.928 40.800 0.008 0.000 1.059 84 D HN 0.018 8.388 8.370 -0.000 0.000 0.512 85 V N 0.036 119.950 119.914 0.001 0.000 3.085 85 V HA 0.128 4.249 4.120 0.001 0.000 0.345 85 V C 1.467 177.559 176.094 -0.002 0.000 1.397 85 V CA -0.333 61.967 62.300 -0.001 0.000 1.165 85 V CB 0.336 32.157 31.823 -0.002 0.000 1.153 85 V HN 0.162 8.352 8.190 -0.000 0.000 0.495 86 T N 2.089 116.642 114.554 -0.001 0.000 2.746 86 T HA -0.034 4.316 4.350 0.001 0.000 0.267 86 T C -0.252 174.444 174.700 -0.006 0.000 1.039 86 T CA 2.562 64.660 62.100 -0.003 0.000 1.142 86 T CB -0.870 67.998 68.868 -0.000 0.000 0.866 86 T HN 0.514 8.754 8.240 -0.000 0.000 0.444 87 P HA -0.014 4.406 4.420 -0.000 0.000 0.216 87 P C 1.317 178.612 177.300 -0.009 0.000 1.153 87 P CA 1.044 64.140 63.100 -0.007 0.000 0.848 87 P CB 0.012 31.711 31.700 -0.002 0.000 0.787 88 E N -0.272 119.924 120.200 -0.006 0.000 2.058 88 E HA -0.162 4.188 4.350 0.001 0.000 0.194 88 E C 2.146 178.740 176.600 -0.009 0.000 0.997 88 E CA 1.667 58.063 56.400 -0.007 0.000 0.801 88 E CB -1.096 28.601 29.700 -0.005 0.000 0.746 88 E HN 0.113 8.473 8.360 -0.000 0.000 0.450 89 A N 0.134 122.948 122.820 -0.010 0.000 1.902 89 A HA -0.190 4.131 4.320 0.001 0.000 0.217 89 A C 2.354 179.929 177.584 -0.016 0.000 1.181 89 A CA 2.004 54.034 52.037 -0.012 0.000 0.623 89 A CB -0.945 18.049 19.000 -0.011 0.000 0.818 89 A HN 0.262 8.412 8.150 -0.000 0.000 0.443 90 T N 0.148 114.691 114.554 -0.018 0.000 2.746 90 T HA -0.133 4.218 4.350 0.001 0.000 0.267 90 T C 1.727 176.411 174.700 -0.028 0.000 1.039 90 T CA 1.621 63.705 62.100 -0.026 0.000 1.142 90 T CB -0.276 68.573 68.868 -0.031 0.000 0.866 90 T HN 0.656 8.896 8.240 -0.000 0.000 0.444 91 E N 1.113 121.299 120.200 -0.022 0.000 2.150 91 E HA -0.023 4.328 4.350 0.001 0.000 0.193 91 E C 2.552 179.141 176.600 -0.018 0.000 0.985 91 E CA 0.833 57.221 56.400 -0.020 0.000 0.814 91 E CB -0.198 29.493 29.700 -0.014 0.000 0.752 91 E HN 0.479 8.839 8.360 -0.000 0.000 0.466 92 A N 1.363 124.174 122.820 -0.015 0.000 1.933 92 A HA -0.139 4.181 4.320 0.001 0.000 0.218 92 A C 2.466 180.041 177.584 -0.015 0.000 1.175 92 A CA 1.635 53.664 52.037 -0.013 0.000 0.628 92 A CB -0.557 18.436 19.000 -0.011 0.000 0.814 92 A HN 0.246 8.396 8.150 -0.000 0.000 0.444 93 V N -3.930 115.973 119.914 -0.018 0.000 3.506 93 V HA 0.153 4.273 4.120 0.001 0.000 0.263 93 V C 0.893 176.973 176.094 -0.023 0.000 1.203 93 V CA -0.204 62.084 62.300 -0.019 0.000 1.133 93 V CB -1.507 30.305 31.823 -0.019 0.000 0.802 93 V HN 0.422 8.612 8.190 -0.000 0.000 0.459 94 C N 2.292 121.576 119.300 -0.027 0.000 2.382 94 C HA 0.468 4.929 4.460 0.001 0.000 0.363 94 C C 1.809 176.784 174.990 -0.026 0.000 1.213 94 C CA 0.256 59.254 59.018 -0.033 0.000 2.363 94 C CB 1.318 29.031 27.740 -0.044 0.000 2.397 94 C HN 0.754 8.984 8.230 -0.000 0.000 0.573 95 E N 0.545 120.729 120.200 -0.026 0.000 2.460 95 E HA 0.146 4.496 4.350 0.001 0.000 0.200 95 E C 0.090 176.678 176.600 -0.020 0.000 1.011 95 E CA 0.190 56.578 56.400 -0.020 0.000 0.912 95 E CB 0.619 30.308 29.700 -0.018 0.000 0.953 95 E HN 0.596 8.956 8.360 -0.000 0.000 0.494 96 K N 0.956 121.340 120.400 -0.026 0.000 2.588 96 K HA 0.264 4.585 4.320 0.001 0.000 0.250 96 K C -1.213 175.368 176.600 -0.032 0.000 0.972 96 K CA -0.610 55.663 56.287 -0.023 0.000 0.821 96 K CB 1.549 34.036 32.500 -0.022 0.000 1.249 96 K HN -0.083 8.167 8.250 -0.000 0.000 0.442 97 M N 3.803 123.390 119.600 -0.022 0.000 2.444 97 M HA 0.426 4.906 4.480 0.001 0.000 0.319 97 M C -0.319 175.977 176.300 -0.006 0.000 1.183 97 M CA -0.708 54.576 55.300 -0.026 0.000 1.032 97 M CB 0.698 33.289 32.600 -0.014 0.000 1.569 97 M HN 0.500 8.790 8.290 -0.000 0.000 0.468 98 L N 3.897 125.118 121.223 -0.003 0.000 2.384 98 L HA 0.276 4.617 4.340 0.001 0.000 0.261 98 L C -1.391 175.566 176.870 0.145 0.000 1.024 98 L CA -1.277 53.612 54.840 0.082 0.000 0.899 98 L CB 1.254 43.369 42.059 0.094 0.000 1.243 98 L HN 0.466 8.696 8.230 -0.000 0.000 0.449 99 P HA -0.164 4.256 4.420 -0.000 0.000 0.219 99 P C 1.464 178.832 177.300 0.112 0.000 1.146 99 P CA 1.254 64.407 63.100 0.090 0.000 0.808 99 P CB 0.379 32.111 31.700 0.054 0.000 0.779 100 G N -0.852 108.026 108.800 0.130 0.000 2.450 100 G HA2 -0.238 3.723 3.960 0.001 0.000 0.220 100 G HA3 -0.238 3.723 3.960 0.001 0.000 0.220 100 G C 1.359 176.282 174.900 0.038 0.000 1.130 100 G CA 0.262 45.400 45.100 0.063 0.000 0.760 100 G HN 0.186 8.476 8.290 -0.000 0.000 0.557 101 F N 1.262 121.210 119.950 -0.002 0.000 2.060 101 F HA 0.046 4.573 4.527 -0.001 0.000 0.295 101 F C 2.985 178.779 175.800 -0.009 0.000 1.120 101 F CA 1.226 59.222 58.000 -0.006 0.000 1.205 101 F CB -0.549 38.447 39.000 -0.006 0.000 0.986 101 F HN 0.184 8.484 8.300 -0.000 0.000 0.470 102 G N -0.590 108.327 108.800 0.195 0.000 2.440 102 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 102 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 102 G C 1.461 176.392 174.900 0.052 0.000 1.154 102 G CA 1.041 46.200 45.100 0.098 0.000 0.767 102 G HN 0.341 8.631 8.290 -0.000 0.000 0.552 103 E N -0.505 119.720 120.200 0.042 0.000 2.023 103 E HA -0.141 4.210 4.350 0.001 0.000 0.196 103 E C 2.389 178.984 176.600 -0.008 0.000 1.003 103 E CA 1.089 57.497 56.400 0.013 0.000 0.809 103 E CB -0.235 29.469 29.700 0.008 0.000 0.755 103 E HN 0.318 8.678 8.360 -0.000 0.000 0.449 104 L N 0.579 121.784 121.223 -0.030 0.000 2.046 104 L HA -0.148 4.193 4.340 0.001 0.000 0.208 104 L C 2.136 178.983 176.870 -0.038 0.000 1.077 104 L CA 1.688 56.495 54.840 -0.055 0.000 0.747 104 L CB -0.302 41.689 42.059 -0.113 0.000 0.896 104 L HN 0.196 8.426 8.230 -0.000 0.000 0.432 105 M N -1.228 118.360 119.600 -0.019 0.000 2.159 105 M HA -0.219 4.262 4.480 0.001 0.000 0.263 105 M C 2.385 178.682 176.300 -0.006 0.000 1.063 105 M CA 1.644 56.940 55.300 -0.007 0.000 1.110 105 M CB -0.371 32.243 32.600 0.023 0.000 1.374 105 M HN 0.202 8.492 8.290 -0.000 0.000 0.411 106 R N -0.280 120.221 120.500 0.000 0.000 2.090 106 R HA -0.139 4.201 4.340 0.001 0.000 0.228 106 R C 2.235 178.530 176.300 -0.008 0.000 1.110 106 R CA 1.199 57.299 56.100 -0.001 0.000 0.973 106 R CB -0.285 30.017 30.300 0.004 0.000 0.869 106 R HN 0.485 8.755 8.270 -0.000 0.000 0.440 107 Q N 0.812 120.605 119.800 -0.012 0.000 2.050 107 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 107 Q C 2.039 178.028 176.000 -0.018 0.000 0.980 107 Q CA 2.007 57.800 55.803 -0.016 0.000 0.840 107 Q CB 0.128 28.853 28.738 -0.022 0.000 0.898 107 Q HN 0.338 8.608 8.270 -0.000 0.000 0.424 108 V N -2.337 117.564 119.914 -0.022 0.000 2.809 108 V HA -0.044 4.076 4.120 0.001 0.000 0.256 108 V C 1.830 177.914 176.094 -0.017 0.000 1.080 108 V CA 1.656 63.943 62.300 -0.022 0.000 1.102 108 V CB -0.121 31.686 31.823 -0.028 0.000 0.705 108 V HN 0.157 8.347 8.190 -0.000 0.000 0.475 109 S N 0.559 116.250 115.700 -0.015 0.000 2.425 109 S HA 0.110 4.580 4.470 0.001 0.000 0.225 109 S C 1.673 176.268 174.600 -0.010 0.000 1.024 109 S CA 1.247 59.440 58.200 -0.012 0.000 0.951 109 S CB -0.163 63.031 63.200 -0.010 0.000 0.796 109 S HN 0.543 8.853 8.310 -0.000 0.000 0.498 110 L N 2.330 123.547 121.223 -0.009 0.000 2.131 110 L HA -0.006 4.335 4.340 0.001 0.000 0.210 110 L C 1.679 178.545 176.870 -0.008 0.000 1.092 110 L CA 1.692 56.527 54.840 -0.008 0.000 0.759 110 L CB -0.429 41.626 42.059 -0.007 0.000 0.903 110 L HN 0.106 8.336 8.230 -0.000 0.000 0.435 111 K N -1.184 119.211 120.400 -0.009 0.000 2.360 111 K HA -0.181 4.140 4.320 0.001 0.000 0.201 111 K C 1.851 178.447 176.600 -0.008 0.000 1.046 111 K CA 1.370 57.652 56.287 -0.009 0.000 0.945 111 K CB -0.022 32.471 32.500 -0.010 0.000 0.750 111 K HN 0.510 8.760 8.250 -0.000 0.000 0.464 112 Q N -0.301 119.494 119.800 -0.008 0.000 2.254 112 Q HA 0.095 4.436 4.340 0.001 0.000 0.259 112 Q C -0.892 175.104 176.000 -0.007 0.000 0.815 112 Q CA 0.042 55.840 55.803 -0.007 0.000 0.961 112 Q CB 1.442 30.176 28.738 -0.008 0.000 1.140 112 Q HN -0.041 8.229 8.270 -0.000 0.000 0.502 113 V N 2.442 122.352 119.914 -0.007 0.000 2.419 113 V HA 0.269 4.389 4.120 0.001 0.000 0.287 113 V C -2.178 173.913 176.094 -0.004 0.000 1.017 113 V CA -1.270 61.027 62.300 -0.005 0.000 0.844 113 V CB 1.585 33.405 31.823 -0.006 0.000 1.011 113 V HN 0.095 8.285 8.190 -0.000 0.000 0.429 114 P HA -0.111 4.309 4.420 -0.000 0.000 0.218 114 P C 1.443 178.742 177.300 -0.002 0.000 1.148 114 P CA 1.337 64.435 63.100 -0.003 0.000 0.822 114 P CB 0.100 31.798 31.700 -0.002 0.000 0.784 115 T N -4.049 110.505 114.554 -0.002 0.000 3.317 115 T HA 0.322 4.673 4.350 0.001 0.000 0.250 115 T C 1.583 176.282 174.700 -0.000 0.000 1.106 115 T CA 0.371 62.471 62.100 -0.000 0.000 0.986 115 T CB -0.753 68.115 68.868 0.000 0.000 1.010 115 T HN -0.029 8.211 8.240 -0.000 0.000 0.560 116 A N 2.611 125.430 122.820 -0.001 0.000 1.978 116 A HA 0.036 4.357 4.320 0.001 0.000 0.220 116 A C 2.212 179.796 177.584 0.001 0.000 1.170 116 A CA 1.409 53.446 52.037 -0.001 0.000 0.636 116 A CB -0.878 18.120 19.000 -0.003 0.000 0.810 116 A HN 0.894 9.044 8.150 -0.000 0.000 0.448 117 I N -3.118 117.452 120.570 0.001 0.000 3.083 117 I HA -0.037 4.134 4.170 0.001 0.000 0.273 117 I C 1.287 177.406 176.117 0.003 0.000 1.297 117 I CA 0.852 62.154 61.300 0.002 0.000 1.452 117 I CB -0.256 37.745 38.000 0.001 0.000 1.078 117 I HN 0.176 8.386 8.210 -0.000 0.000 0.484 118 L N 0.461 121.686 121.223 0.003 0.000 2.567 118 L HA 0.175 4.516 4.340 0.001 0.000 0.225 118 L C 1.349 178.222 176.870 0.005 0.000 1.119 118 L CA -0.060 54.783 54.840 0.004 0.000 0.871 118 L CB -0.222 41.840 42.059 0.004 0.000 1.036 118 L HN 0.243 8.473 8.230 -0.000 0.000 0.459 119 S N 0.764 116.467 115.700 0.005 0.000 2.548 119 S HA 0.199 4.669 4.470 0.001 0.000 0.277 119 S C 0.928 175.534 174.600 0.009 0.000 1.315 119 S CA -0.366 57.838 58.200 0.007 0.000 1.050 119 S CB 0.569 63.773 63.200 0.007 0.000 0.918 119 S HN 0.302 8.612 8.310 -0.000 0.000 0.497 120 R N 2.601 123.107 120.500 0.009 0.000 2.546 120 R HA 0.170 4.511 4.340 0.001 0.000 0.320 120 R C 0.017 176.324 176.300 0.012 0.000 1.021 120 R CA -0.223 55.883 56.100 0.010 0.000 1.088 120 R CB 0.297 30.602 30.300 0.007 0.000 1.278 120 R HN 0.676 8.946 8.270 -0.000 0.000 0.557 121 Q N 0.915 120.724 119.800 0.015 0.000 2.333 121 Q HA 0.002 4.343 4.340 0.001 0.000 0.299 121 Q C 0.220 176.236 176.000 0.028 0.000 1.067 121 Q CA 0.962 56.777 55.803 0.019 0.000 0.943 121 Q CB 0.954 29.708 28.738 0.026 0.000 1.233 121 Q HN -0.026 8.244 8.270 -0.000 0.000 0.401 122 T N -0.357 114.207 114.554 0.017 0.000 2.654 122 T HA 0.828 5.179 4.350 0.001 0.000 0.289 122 T C -1.974 172.710 174.700 -0.028 0.000 1.062 122 T CA -0.123 61.987 62.100 0.017 0.000 1.041 122 T CB 1.614 70.483 68.868 0.002 0.000 1.417 122 T HN 0.671 8.911 8.240 -0.000 0.000 0.510 123 A N -0.335 122.435 122.820 -0.083 0.000 2.574 123 A HA 0.901 5.222 4.320 0.001 0.000 0.297 123 A C -0.273 177.178 177.584 -0.221 0.000 1.062 123 A CA -0.024 51.862 52.037 -0.252 0.000 0.686 123 A CB 1.446 20.060 19.000 -0.643 0.000 1.285 123 A HN 1.390 9.540 8.150 -0.000 0.000 0.403 124 G N -0.427 108.238 108.800 -0.225 0.000 2.663 124 G HA2 0.627 4.588 3.960 0.001 0.000 0.299 124 G HA3 0.627 4.588 3.960 0.001 0.000 0.299 124 G C -1.668 173.145 174.900 -0.145 0.000 1.372 124 G CA -0.548 44.461 45.100 -0.152 0.000 0.781 124 G HN 0.784 9.074 8.290 -0.000 0.000 0.491 125 I N 0.164 120.676 120.570 -0.096 0.000 2.509 125 I HA 0.575 4.745 4.170 0.001 0.000 0.293 125 I C -0.098 175.987 176.117 -0.053 0.000 1.020 125 I CA -0.762 60.491 61.300 -0.078 0.000 1.088 125 I CB 2.404 40.365 38.000 -0.065 0.000 1.267 125 I HN 0.355 8.565 8.210 -0.000 0.000 0.430 126 R N 4.575 125.048 120.500 -0.046 0.000 2.468 126 R HA 0.547 4.888 4.340 0.001 0.000 0.302 126 R C 0.359 176.643 176.300 -0.026 0.000 1.041 126 R CA 0.277 56.357 56.100 -0.032 0.000 0.899 126 R CB 1.225 31.507 30.300 -0.029 0.000 1.167 126 R HN 0.926 9.196 8.270 -0.000 0.000 0.483 127 G N 2.318 111.105 108.800 -0.021 0.000 2.591 127 G HA2 -0.405 3.556 3.960 0.001 0.000 0.298 127 G HA3 -0.405 3.556 3.960 0.001 0.000 0.298 127 G C 0.224 175.113 174.900 -0.018 0.000 1.195 127 G CA 0.520 45.611 45.100 -0.016 0.000 0.989 127 G HN 0.823 9.113 8.290 -0.000 0.000 0.551 128 S N -1.032 114.660 115.700 -0.013 0.000 2.552 128 S HA 0.485 4.955 4.470 0.001 0.000 0.246 128 S C 0.281 174.873 174.600 -0.015 0.000 1.019 128 S CA 0.592 58.784 58.200 -0.012 0.000 1.045 128 S CB -0.057 63.142 63.200 -0.002 0.000 0.784 128 S HN 1.506 9.816 8.310 -0.000 0.000 0.453 129 C N 1.947 121.233 119.300 -0.023 0.000 2.369 129 C HA 0.763 5.224 4.460 0.001 0.000 0.322 129 C C -0.461 174.498 174.990 -0.052 0.000 1.258 129 C CA -1.055 57.947 59.018 -0.028 0.000 1.487 129 C CB 0.435 28.163 27.740 -0.020 0.000 2.165 129 C HN 0.721 8.951 8.230 -0.000 0.000 0.483 130 L N 7.667 128.852 121.223 -0.063 0.000 2.275 130 L HA 0.692 5.032 4.340 0.001 0.000 0.288 130 L C -0.613 176.186 176.870 -0.118 0.000 1.046 130 L CA 0.162 54.935 54.840 -0.112 0.000 0.805 130 L CB 0.706 42.695 42.059 -0.117 0.000 1.193 130 L HN 0.632 8.862 8.230 -0.000 0.000 0.426 131 I N 5.999 126.479 120.570 -0.150 0.000 2.362 131 I HA 0.457 4.627 4.170 0.001 0.000 0.289 131 I C -0.891 175.117 176.117 -0.181 0.000 0.994 131 I CA -0.809 60.416 61.300 -0.124 0.000 1.158 131 I CB 1.767 39.715 38.000 -0.087 0.000 1.315 131 I HN 0.290 8.500 8.210 -0.000 0.000 0.451 132 V N 5.376 125.209 119.914 -0.135 0.000 2.588 132 V HA 0.306 4.426 4.120 0.001 0.000 0.304 132 V C -0.245 175.822 176.094 -0.046 0.000 1.042 132 V CA -0.840 61.385 62.300 -0.126 0.000 0.877 132 V CB 1.919 33.694 31.823 -0.080 0.000 0.996 132 V HN 0.696 8.886 8.190 -0.000 0.000 0.425 133 N N 4.615 123.299 118.700 -0.027 0.000 2.422 133 N HA 0.623 5.364 4.740 0.001 0.000 0.264 133 N C -0.943 174.573 175.510 0.010 0.000 1.063 133 N CA -0.468 52.578 53.050 -0.006 0.000 0.959 133 N CB 1.190 39.675 38.487 -0.003 0.000 1.087 133 N HN 0.511 8.891 8.380 -0.000 0.000 0.483 134 L N 2.962 124.187 121.223 0.003 0.000 2.304 134 L HA 0.641 4.981 4.340 0.001 0.000 0.268 134 L C -1.939 174.930 176.870 -0.002 0.000 1.010 134 L CA -2.080 52.758 54.840 -0.003 0.000 0.813 134 L CB 1.572 43.618 42.059 -0.021 0.000 1.315 134 L HN 0.345 8.575 8.230 -0.000 0.000 0.445 135 P HA 0.108 4.528 4.420 -0.000 0.000 0.289 135 P C -0.025 177.274 177.300 -0.002 0.000 1.299 135 P CA -0.250 62.848 63.100 -0.005 0.000 0.766 135 P CB 0.931 32.625 31.700 -0.010 0.000 1.226 136 G N -0.807 107.993 108.800 0.001 0.000 2.559 136 G HA2 -0.029 3.932 3.960 0.001 0.000 0.209 136 G HA3 -0.029 3.932 3.960 0.001 0.000 0.209 136 G C 0.620 175.517 174.900 -0.006 0.000 1.151 136 G CA 0.106 45.209 45.100 0.005 0.000 0.824 136 G HN 0.440 8.730 8.290 -0.000 0.000 0.543 137 K N 1.489 121.881 120.400 -0.013 0.000 2.436 137 K HA 0.128 4.448 4.320 0.001 0.000 0.282 137 K C -1.541 175.047 176.600 -0.020 0.000 1.044 137 K CA -1.160 55.114 56.287 -0.021 0.000 1.028 137 K CB 1.359 33.846 32.500 -0.021 0.000 0.919 137 K HN -0.076 8.174 8.250 -0.000 0.000 0.474 138 P HA -0.254 4.166 4.420 -0.000 0.000 0.217 138 P C 0.847 178.138 177.300 -0.015 0.000 1.148 138 P CA 1.250 64.342 63.100 -0.013 0.000 0.834 138 P CB 0.166 31.862 31.700 -0.007 0.000 0.783 139 Q N -0.665 119.126 119.800 -0.014 0.000 2.046 139 Q HA -0.116 4.225 4.340 0.001 0.000 0.200 139 Q C 1.939 177.927 176.000 -0.020 0.000 0.975 139 Q CA 1.999 57.795 55.803 -0.011 0.000 0.836 139 Q CB -0.499 28.233 28.738 -0.010 0.000 0.896 139 Q HN 0.085 8.355 8.270 -0.000 0.000 0.428 140 S N 0.501 116.186 115.700 -0.024 0.000 2.428 140 S HA -0.025 4.446 4.470 0.001 0.000 0.230 140 S C 1.808 176.379 174.600 -0.048 0.000 1.014 140 S CA 0.843 59.025 58.200 -0.029 0.000 0.957 140 S CB -0.136 63.050 63.200 -0.022 0.000 0.784 140 S HN 0.379 8.689 8.310 -0.000 0.000 0.499 141 I N 1.393 121.928 120.570 -0.057 0.000 2.226 141 I HA -0.194 3.977 4.170 0.001 0.000 0.245 141 I C 2.527 178.540 176.117 -0.175 0.000 1.100 141 I CA 1.170 62.412 61.300 -0.098 0.000 1.374 141 I CB -0.209 37.742 38.000 -0.082 0.000 1.057 141 I HN 0.240 8.450 8.210 -0.000 0.000 0.413 142 K N 0.852 121.173 120.400 -0.132 0.000 2.057 142 K HA -0.124 4.197 4.320 0.001 0.000 0.206 142 K C 2.099 178.634 176.600 -0.108 0.000 1.050 142 K CA 1.126 57.324 56.287 -0.148 0.000 0.935 142 K CB 0.110 32.616 32.500 0.011 0.000 0.715 142 K HN 0.071 8.321 8.250 -0.000 0.000 0.439 143 V N 0.847 120.725 119.914 -0.060 0.000 2.295 143 V HA -0.339 3.782 4.120 0.001 0.000 0.246 143 V C 2.469 178.528 176.094 -0.057 0.000 1.049 143 V CA 1.742 64.019 62.300 -0.039 0.000 1.024 143 V CB -0.453 31.355 31.823 -0.026 0.000 0.648 143 V HN 0.518 8.708 8.190 -0.000 0.000 0.447 144 C N -0.539 118.716 119.300 -0.076 0.000 2.429 144 C HA -0.088 4.373 4.460 0.001 0.000 0.277 144 C C 2.649 177.582 174.990 -0.094 0.000 1.262 144 C CA 0.803 59.781 59.018 -0.068 0.000 1.733 144 C CB -1.029 26.679 27.740 -0.053 0.000 2.010 144 C HN 0.522 8.752 8.230 -0.000 0.000 0.483 145 L N 0.462 121.569 121.223 -0.194 0.000 2.093 145 L HA -0.140 4.200 4.340 0.001 0.000 0.208 145 L C 2.242 179.058 176.870 -0.090 0.000 1.085 145 L CA 1.405 56.085 54.840 -0.268 0.000 0.755 145 L CB -0.697 40.866 42.059 -0.827 0.000 0.904 145 L HN 0.340 8.570 8.230 -0.000 0.000 0.435 146 D N 0.033 120.414 120.400 -0.032 0.000 2.218 146 D HA -0.139 4.502 4.640 0.001 0.000 0.204 146 D C 2.100 178.415 176.300 0.025 0.000 0.976 146 D CA 1.377 55.426 54.000 0.081 0.000 0.853 146 D CB 0.164 41.012 40.800 0.080 0.000 0.939 146 D HN 0.346 8.716 8.370 -0.000 0.000 0.481 147 A N 0.444 123.252 122.820 -0.020 0.000 1.903 147 A HA -0.042 4.279 4.320 0.001 0.000 0.213 147 A C 2.317 179.853 177.584 -0.080 0.000 1.185 147 A CA 1.370 53.378 52.037 -0.047 0.000 0.628 147 A CB -0.281 18.684 19.000 -0.059 0.000 0.830 147 A HN 0.214 8.364 8.150 -0.000 0.000 0.446 148 V N -3.800 116.066 119.914 -0.080 0.000 3.307 148 V HA 0.057 4.177 4.120 0.001 0.000 0.253 148 V C 2.145 178.228 176.094 -0.019 0.000 1.149 148 V CA 1.454 63.673 62.300 -0.136 0.000 1.112 148 V CB -0.515 31.229 31.823 -0.131 0.000 0.777 148 V HN 0.312 8.502 8.190 -0.000 0.000 0.464 149 M N 2.111 121.737 119.600 0.042 0.000 2.202 149 M HA 0.058 4.539 4.480 0.001 0.000 0.262 149 M C -0.471 175.876 176.300 0.078 0.000 1.063 149 M CA 1.877 57.234 55.300 0.094 0.000 1.097 149 M CB -1.532 31.166 32.600 0.164 0.000 1.382 149 M HN 0.268 8.558 8.290 -0.000 0.000 0.413 150 P HA -0.030 4.390 4.420 -0.000 0.000 0.222 150 P C 0.590 177.951 177.300 0.101 0.000 1.147 150 P CA 1.764 64.905 63.100 0.067 0.000 0.790 150 P CB -0.152 31.572 31.700 0.040 0.000 0.780 151 A N -1.867 120.998 122.820 0.076 0.000 2.252 151 A HA 0.126 4.447 4.320 0.001 0.000 0.213 151 A C 1.925 179.631 177.584 0.202 0.000 1.188 151 A CA 0.053 52.170 52.037 0.133 0.000 0.863 151 A CB -0.927 18.080 19.000 0.011 0.000 0.893 151 A HN 0.049 8.199 8.150 -0.000 0.000 0.495 152 I N 0.454 121.133 120.570 0.182 0.000 2.142 152 I HA -0.149 4.022 4.170 0.001 0.000 0.240 152 I C -0.618 175.571 176.117 0.120 0.000 1.078 152 I CA 1.386 62.800 61.300 0.190 0.000 1.343 152 I CB -1.014 37.079 38.000 0.155 0.000 1.046 152 I HN 0.168 8.378 8.210 -0.000 0.000 0.405 153 P HA -0.225 4.195 4.420 -0.000 0.000 0.215 153 P C 1.558 178.930 177.300 0.120 0.000 1.153 153 P CA 1.467 64.587 63.100 0.035 0.000 0.853 153 P CB -0.142 31.537 31.700 -0.036 0.000 0.788 154 Y N -0.228 120.095 120.300 0.039 0.000 2.200 154 Y HA -0.220 4.330 4.550 0.001 0.000 0.290 154 Y C 2.454 178.397 175.900 0.073 0.000 1.137 154 Y CA 0.703 58.838 58.100 0.058 0.000 1.163 154 Y CB -1.259 37.249 38.460 0.081 0.000 0.988 154 Y HN 0.009 8.289 8.280 -0.000 0.000 0.518 155 C N 0.309 119.627 119.300 0.030 0.000 2.413 155 C HA -0.190 4.270 4.460 0.001 0.000 0.276 155 C C 2.730 177.677 174.990 -0.071 0.000 1.248 155 C CA 1.445 60.430 59.018 -0.055 0.000 1.742 155 C CB -1.557 26.245 27.740 0.104 0.000 2.017 155 C HN 0.623 8.853 8.230 -0.000 0.000 0.481 156 I N 0.770 121.332 120.570 -0.013 0.000 2.315 156 I HA -0.139 4.032 4.170 0.001 0.000 0.248 156 I C 2.182 178.290 176.117 -0.015 0.000 1.117 156 I CA 1.713 63.005 61.300 -0.013 0.000 1.404 156 I CB -0.627 37.374 38.000 0.002 0.000 1.071 156 I HN 0.348 8.558 8.210 -0.000 0.000 0.419 157 D N 1.141 121.538 120.400 -0.005 0.000 2.092 157 D HA -0.169 4.472 4.640 0.001 0.000 0.193 157 D C 2.295 178.562 176.300 -0.055 0.000 0.994 157 D CA 1.349 55.362 54.000 0.021 0.000 0.828 157 D CB -0.402 40.454 40.800 0.094 0.000 0.963 157 D HN 0.270 8.640 8.370 -0.000 0.000 0.450 158 L N 0.753 121.868 121.223 -0.180 0.000 2.187 158 L HA -0.098 4.243 4.340 0.001 0.000 0.213 158 L C 2.152 178.967 176.870 -0.091 0.000 1.100 158 L CA 0.694 55.427 54.840 -0.179 0.000 0.765 158 L CB -0.493 41.384 42.059 -0.304 0.000 0.904 158 L HN 0.178 8.408 8.230 -0.000 0.000 0.437 159 I N -3.723 116.806 120.570 -0.069 0.000 3.875 159 I HA 0.385 4.556 4.170 0.001 0.000 0.329 159 I C 1.144 177.248 176.117 -0.022 0.000 1.295 159 I CA 0.406 61.681 61.300 -0.042 0.000 1.129 159 I CB -0.114 37.861 38.000 -0.042 0.000 1.008 159 I HN 0.169 8.379 8.210 -0.000 0.000 0.413 160 G N 1.318 110.110 108.800 -0.013 0.000 2.137 160 G HA2 -0.191 3.769 3.960 0.001 0.000 0.237 160 G HA3 -0.191 3.769 3.960 0.001 0.000 0.237 160 G C 0.434 175.343 174.900 0.015 0.000 1.002 160 G CA -0.109 44.994 45.100 0.004 0.000 0.702 160 G HN 0.844 9.134 8.290 -0.000 0.000 0.515 161 G N -0.611 108.199 108.800 0.016 0.000 2.557 161 G HA2 0.812 4.773 3.960 0.001 0.000 0.292 161 G HA3 0.812 4.773 3.960 0.001 0.000 0.292 161 G C 0.668 175.601 174.900 0.054 0.000 1.237 161 G CA 0.252 45.367 45.100 0.026 0.000 0.978 161 G HN 1.536 9.826 8.290 -0.000 0.000 0.498 162 A N -1.041 121.815 122.820 0.059 0.000 2.406 162 A HA 0.407 4.728 4.320 0.001 0.000 0.243 162 A C -0.499 177.159 177.584 0.124 0.000 1.082 162 A CA -0.228 51.865 52.037 0.093 0.000 0.786 162 A CB 0.052 19.102 19.000 0.084 0.000 1.029 162 A HN 0.736 8.886 8.150 -0.000 0.000 0.495 163 Y N 1.172 121.492 120.300 0.032 0.000 2.359 163 Y HA 0.527 5.077 4.550 0.001 0.000 0.334 163 Y C -0.282 175.638 175.900 0.035 0.000 1.058 163 Y CA -0.097 58.023 58.100 0.033 0.000 1.244 163 Y CB 0.221 38.700 38.460 0.032 0.000 1.187 163 Y HN 0.448 8.728 8.280 -0.000 0.000 0.510 164 I N 5.871 126.100 120.570 -0.567 0.000 2.582 164 I HA 0.304 4.474 4.170 0.001 0.000 0.292 164 I C -1.213 174.517 176.117 -0.644 0.000 1.066 164 I CA -0.835 60.189 61.300 -0.461 0.000 1.053 164 I CB 2.201 40.055 38.000 -0.243 0.000 1.241 164 I HN 0.529 8.739 8.210 -0.000 0.000 0.421 165 D N 2.654 122.792 120.400 -0.437 0.000 2.661 165 D HA 0.605 5.246 4.640 0.001 0.000 0.228 165 D C -1.050 175.163 176.300 -0.144 0.000 1.183 165 D CA -0.050 53.776 54.000 -0.290 0.000 0.844 165 D CB 2.340 43.008 40.800 -0.220 0.000 1.555 165 D HN 0.586 8.956 8.370 -0.000 0.000 0.453 166 T N -0.732 113.766 114.554 -0.092 0.000 2.924 166 T HA 0.420 4.771 4.350 0.001 0.000 0.291 166 T C -0.349 174.325 174.700 -0.043 0.000 1.045 166 T CA -0.970 61.087 62.100 -0.071 0.000 1.015 166 T CB 1.462 70.290 68.868 -0.067 0.000 1.103 166 T HN 0.203 8.443 8.240 -0.000 0.000 0.496 167 D N 3.010 123.382 120.400 -0.046 0.000 2.389 167 D HA 0.113 4.753 4.640 0.001 0.000 0.263 167 D C -0.883 175.402 176.300 -0.026 0.000 1.255 167 D CA -2.014 51.967 54.000 -0.031 0.000 0.914 167 D CB 1.118 41.894 40.800 -0.040 0.000 1.116 167 D HN 0.275 8.645 8.370 -0.000 0.000 0.502 168 P HA -0.145 4.275 4.420 -0.000 0.000 0.223 168 P C 0.556 177.854 177.300 -0.003 0.000 1.144 168 P CA 0.674 63.773 63.100 -0.002 0.000 0.783 168 P CB 0.414 32.117 31.700 0.005 0.000 0.771 169 N N -0.154 118.540 118.700 -0.010 0.000 2.446 169 N HA -0.012 4.728 4.740 0.001 0.000 0.179 169 N C 1.495 176.995 175.510 -0.017 0.000 1.054 169 N CA 0.788 53.832 53.050 -0.010 0.000 0.905 169 N CB 0.137 38.618 38.487 -0.011 0.000 0.973 169 N HN 0.373 8.753 8.380 -0.000 0.000 0.448 170 K N -0.321 120.062 120.400 -0.029 0.000 2.312 170 K HA 0.255 4.576 4.320 0.001 0.000 0.206 170 K C -0.054 176.529 176.600 -0.029 0.000 1.121 170 K CA 0.444 56.705 56.287 -0.043 0.000 0.923 170 K CB 1.109 33.556 32.500 -0.089 0.000 1.162 170 K HN -0.195 8.055 8.250 -0.000 0.000 0.478 171 V N 2.738 122.634 119.914 -0.030 0.000 2.612 171 V HA 0.205 4.326 4.120 0.001 0.000 0.301 171 V C -1.418 174.681 176.094 0.008 0.000 1.059 171 V CA -1.023 61.278 62.300 0.002 0.000 0.886 171 V CB 1.753 33.583 31.823 0.011 0.000 1.007 171 V HN 0.139 8.329 8.190 -0.000 0.000 0.426 172 K N 3.584 124.000 120.400 0.027 0.000 2.267 172 K HA 0.682 5.003 4.320 0.001 0.000 0.282 172 K C 0.114 176.753 176.600 0.064 0.000 1.078 172 K CA -0.165 56.147 56.287 0.041 0.000 0.903 172 K CB 1.516 34.049 32.500 0.056 0.000 1.111 172 K HN 0.789 9.039 8.250 -0.000 0.000 0.475 173 A N 4.443 127.289 122.820 0.044 0.000 2.415 173 A HA 0.164 4.484 4.320 0.001 0.000 0.309 173 A C -0.601 177.025 177.584 0.070 0.000 1.356 173 A CA -0.475 51.596 52.037 0.056 0.000 0.998 173 A CB -0.397 18.605 19.000 0.004 0.000 1.145 173 A HN 0.723 8.873 8.150 -0.000 0.000 0.545 174 F N 3.330 123.264 119.950 -0.026 0.000 2.495 174 F HA 0.421 4.949 4.527 0.001 0.000 0.365 174 F C 0.715 176.427 175.800 -0.147 0.000 1.090 174 F CA 0.611 58.568 58.000 -0.072 0.000 1.235 174 F CB 0.446 39.401 39.000 -0.075 0.000 1.119 174 F HN 0.554 8.854 8.300 -0.000 0.000 0.562 175 R N 6.219 126.118 120.500 -1.002 0.000 2.533 175 R HA 0.319 4.660 4.340 0.001 0.000 0.288 175 R C -2.680 172.982 176.300 -1.063 0.000 1.039 175 R CA -1.914 53.647 56.100 -0.898 0.000 0.909 175 R CB 1.843 31.929 30.300 -0.356 0.000 1.195 175 R HN 0.406 8.676 8.270 -0.000 0.000 0.438 176 P HA 0.012 4.432 4.420 -0.000 0.000 0.266 176 P C -0.916 176.195 177.300 -0.315 0.000 1.195 176 P CA 0.087 62.873 63.100 -0.524 0.000 0.768 176 P CB 0.649 32.179 31.700 -0.284 0.000 0.838 177 K N 2.334 122.606 120.400 -0.213 0.000 2.316 177 K HA 0.328 4.649 4.320 0.001 0.000 0.251 177 K C 0.102 176.662 176.600 -0.066 0.000 0.934 177 K CA -0.938 55.273 56.287 -0.126 0.000 0.802 177 K CB 2.297 34.726 32.500 -0.118 0.000 1.171 177 K HN 0.355 8.605 8.250 -0.000 0.000 0.426 178 K N 0.000 120.374 120.400 -0.043 0.000 2.780 178 K HA 0.000 4.321 4.320 0.001 0.000 0.191 178 K CA 0.000 56.274 56.287 -0.022 0.000 0.838 178 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 178 K HN 0.000 8.250 8.250 -0.000 0.000 0.543