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 1zry_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFSGTWQVYA QENYEEFLKA LALPEDLIKM ARDIKPIVEI QQKGDDFVVT DATA SEQUENCE SKTPRQTVTN SFTLGKEADI TTMDGKKLKC TVHLANGKLV TKSEKFSHEQ DATA SEQUENCE EVKGNEMVET ITFGGVTLIR RSKRV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.416 4.320 0.161 0.000 0.244 1 A C 0.000 177.801 177.584 0.362 0.000 1.274 1 A CA 0.000 52.173 52.037 0.227 0.000 0.836 1 A CB 0.000 19.134 19.000 0.224 0.000 0.831 2 F N -0.002 120.131 119.950 0.305 0.000 2.063 2 F HA -0.406 4.361 4.527 0.400 0.000 0.298 2 F C 0.577 176.656 175.800 0.464 0.000 1.105 2 F CA 2.478 60.697 58.000 0.366 0.000 1.215 2 F CB 0.313 39.436 39.000 0.205 0.000 0.972 2 F HN 0.133 8.718 8.300 0.475 0.000 0.483 3 S N -2.354 113.646 115.700 0.499 0.000 2.671 3 S HA -0.195 4.599 4.470 0.325 -0.129 0.331 3 S C 0.079 174.785 174.600 0.177 0.000 1.182 3 S CA 0.844 59.238 58.200 0.323 0.000 1.276 3 S CB -0.879 62.488 63.200 0.279 0.000 1.360 3 S HN -0.261 8.351 8.310 0.503 0.000 0.563 4 G N 2.498 111.350 108.800 0.086 0.000 2.340 4 G HA2 -0.027 3.836 3.960 -0.163 0.000 0.299 4 G HA3 -0.027 3.695 3.960 -0.398 0.000 0.299 4 G C -3.138 171.517 174.900 -0.407 0.000 1.291 4 G CA 0.195 45.158 45.100 -0.228 0.000 0.841 4 G HN -0.654 7.755 8.290 0.198 0.000 0.500 5 T N 0.373 114.541 114.554 -0.645 0.000 2.859 5 T HA 0.240 4.532 4.350 -0.240 -0.086 0.281 5 T C -1.618 172.619 174.700 -0.773 0.000 1.005 5 T CA -1.299 60.514 62.100 -0.477 0.000 1.025 5 T CB 1.383 70.105 68.868 -0.243 0.000 0.977 5 T HN 0.037 7.876 8.240 -0.669 0.000 0.458 6 W N 5.079 126.402 121.300 0.039 0.000 3.042 6 W HA 0.278 5.084 4.660 0.027 -0.129 0.337 6 W C -2.539 174.008 176.519 0.045 0.000 1.086 6 W CA -1.220 56.148 57.345 0.038 0.000 1.236 6 W CB 3.508 32.996 29.460 0.047 0.000 1.381 6 W HN 0.750 8.977 8.180 0.078 0.000 0.472 7 Q N 4.200 124.175 119.800 0.292 0.000 2.309 7 Q HA 0.431 4.883 4.340 0.186 0.000 0.270 7 Q C -1.206 174.932 176.000 0.231 0.000 1.023 7 Q CA -1.313 54.611 55.803 0.202 0.000 0.758 7 Q CB 4.150 32.962 28.738 0.124 0.000 1.247 7 Q HN 0.824 9.289 8.270 0.324 0.000 0.455 8 V N 8.168 128.200 119.914 0.197 0.000 2.814 8 V HA -0.294 4.085 4.120 0.167 -0.158 0.307 8 V C -1.214 175.031 176.094 0.252 0.000 1.089 8 V CA 1.636 64.041 62.300 0.176 0.000 1.212 8 V CB 0.617 32.501 31.823 0.102 0.000 0.912 8 V HN 0.037 8.331 8.190 0.173 0.000 0.497 9 Y N 5.061 125.385 120.300 0.041 0.000 2.710 9 Y HA 0.217 4.797 4.550 0.050 0.000 0.278 9 Y C -2.254 173.666 175.900 0.032 0.000 1.014 9 Y CA -1.076 57.049 58.100 0.042 0.000 1.227 9 Y CB 1.639 40.124 38.460 0.042 0.000 1.408 9 Y HN 0.434 8.821 8.280 0.179 0.000 0.580 10 A N -0.232 122.312 122.820 -0.460 0.000 2.599 10 A HA 0.241 4.340 4.320 -0.367 0.000 0.300 10 A C -2.604 174.788 177.584 -0.320 0.000 1.151 10 A CA 0.952 52.660 52.037 -0.548 0.000 0.883 10 A CB 1.136 19.443 19.000 -1.155 0.000 1.480 10 A HN -0.820 7.176 8.150 -0.257 0.000 0.401 11 Q N 3.037 122.719 119.800 -0.197 0.000 2.508 11 Q HA 0.371 4.700 4.340 -0.271 -0.152 0.247 11 Q C -0.013 175.914 176.000 -0.121 0.000 1.047 11 Q CA -1.598 54.067 55.803 -0.230 0.000 0.783 11 Q CB -0.443 28.045 28.738 -0.417 0.000 1.172 11 Q HN -0.104 8.096 8.270 -0.117 0.000 0.515 12 E N 5.686 125.814 120.200 -0.120 0.000 1.997 12 E HA -0.379 3.949 4.350 -0.037 0.000 0.201 12 E C 0.737 177.340 176.600 0.005 0.000 1.011 12 E CA 3.023 59.391 56.400 -0.054 0.000 0.847 12 E CB 0.131 29.791 29.700 -0.067 0.000 0.787 12 E HN -0.379 7.885 8.360 -0.161 0.000 0.472 13 N N 0.442 119.138 118.700 -0.007 0.000 3.259 13 N HA 0.008 4.792 4.740 0.073 0.000 0.308 13 N C 0.071 175.659 175.510 0.130 0.000 1.334 13 N CA -0.723 52.360 53.050 0.056 0.000 1.202 13 N CB -1.895 36.618 38.487 0.043 0.000 1.485 13 N HN 0.069 8.417 8.380 -0.054 0.000 0.549 14 Y N 3.643 123.984 120.300 0.069 0.000 2.060 14 Y HA -0.491 4.196 4.550 0.229 0.000 0.276 14 Y C 1.199 177.195 175.900 0.161 0.000 1.127 14 Y CA 3.787 61.976 58.100 0.148 0.000 1.104 14 Y CB 0.093 38.602 38.460 0.083 0.000 0.983 14 Y HN -0.239 8.112 8.280 0.228 0.066 0.483 15 E N -1.654 118.740 120.200 0.325 0.000 2.097 15 E HA -0.513 3.913 4.350 0.126 0.000 0.196 15 E C 2.032 178.695 176.600 0.106 0.000 1.000 15 E CA 3.861 60.352 56.400 0.152 0.000 0.804 15 E CB -0.671 29.069 29.700 0.066 0.000 0.740 15 E HN 0.511 9.035 8.360 0.273 0.000 0.454 16 E N -2.445 117.832 120.200 0.129 0.000 2.031 16 E HA -0.296 4.097 4.350 0.071 0.000 0.193 16 E C 2.119 178.785 176.600 0.110 0.000 0.994 16 E CA 2.550 59.015 56.400 0.108 0.000 0.800 16 E CB -0.931 28.841 29.700 0.120 0.000 0.752 16 E HN 0.209 8.649 8.360 0.150 0.010 0.447 17 F N 0.657 120.605 119.950 -0.002 0.000 2.095 17 F HA -0.326 4.159 4.527 -0.070 0.000 0.298 17 F C 1.859 177.504 175.800 -0.259 0.000 1.104 17 F CA 2.594 60.502 58.000 -0.154 0.000 1.232 17 F CB 0.191 39.057 39.000 -0.223 0.000 0.987 17 F HN -0.871 7.617 8.300 0.313 0.000 0.475 18 L N -0.975 119.836 121.223 -0.685 0.000 2.012 18 L HA -0.397 3.283 4.340 -1.100 0.000 0.210 18 L C 2.259 178.906 176.870 -0.371 0.000 1.073 18 L CA 3.348 57.802 54.840 -0.642 0.000 0.748 18 L CB -0.845 41.111 42.059 -0.172 0.000 0.891 18 L HN 0.191 8.347 8.230 -0.123 0.000 0.431 19 K N -1.213 119.078 120.400 -0.182 0.000 2.209 19 K HA -0.297 3.966 4.320 -0.096 0.000 0.204 19 K C 1.431 177.983 176.600 -0.080 0.000 1.048 19 K CA 2.170 58.399 56.287 -0.096 0.000 0.940 19 K CB -0.390 32.091 32.500 -0.032 0.000 0.729 19 K HN 0.056 8.142 8.250 -0.120 0.092 0.451 20 A N -2.796 119.975 122.820 -0.081 0.000 1.969 20 A HA -0.099 4.254 4.320 0.055 0.000 0.218 20 A C 0.292 177.857 177.584 -0.032 0.000 1.169 20 A CA 1.283 53.333 52.037 0.021 0.000 0.635 20 A CB 0.027 19.171 19.000 0.240 0.000 0.810 20 A HN -0.709 7.340 8.150 -0.129 0.024 0.445 21 L N -3.213 117.893 121.223 -0.194 0.000 2.456 21 L HA -0.061 4.231 4.340 -0.079 0.000 0.257 21 L C 0.365 177.170 176.870 -0.108 0.000 1.162 21 L CA -1.115 53.624 54.840 -0.170 0.000 0.808 21 L CB 0.285 42.155 42.059 -0.315 0.000 1.136 21 L HN -0.742 7.155 8.230 -0.341 0.129 0.466 22 A N 1.163 123.942 122.820 -0.069 0.000 3.258 22 A HA 0.160 4.455 4.320 -0.041 0.000 0.275 22 A C -1.139 176.415 177.584 -0.050 0.000 1.452 22 A CA -0.734 51.276 52.037 -0.045 0.000 1.120 22 A CB -1.208 17.779 19.000 -0.020 0.000 1.107 22 A HN 0.013 8.126 8.150 -0.060 0.000 0.651 23 L N 1.301 122.481 121.223 -0.071 0.000 2.307 23 L HA 0.275 4.587 4.340 -0.047 0.000 0.282 23 L C -1.969 174.871 176.870 -0.051 0.000 1.051 23 L CA -2.218 52.585 54.840 -0.062 0.000 0.804 23 L CB 0.283 42.294 42.059 -0.080 0.000 1.197 23 L HN -0.805 7.291 8.230 -0.096 0.077 0.431 24 P HA 0.178 4.579 4.420 -0.030 0.000 0.276 24 P C 0.013 177.292 177.300 -0.035 0.000 1.252 24 P CA -1.357 61.724 63.100 -0.032 0.000 0.802 24 P CB 1.306 32.992 31.700 -0.023 0.000 1.035 25 E N 0.269 120.450 120.200 -0.031 0.000 2.097 25 E HA -0.470 3.858 4.350 -0.038 0.000 0.196 25 E C 1.441 178.021 176.600 -0.034 0.000 1.000 25 E CA 4.043 60.423 56.400 -0.033 0.000 0.804 25 E CB -0.172 29.513 29.700 -0.026 0.000 0.740 25 E HN 0.501 8.845 8.360 -0.026 0.000 0.454 26 D N -1.610 118.773 120.400 -0.028 0.000 2.117 26 D HA -0.247 4.377 4.640 -0.026 0.000 0.197 26 D C 2.390 178.672 176.300 -0.031 0.000 0.987 26 D CA 2.858 56.842 54.000 -0.026 0.000 0.829 26 D CB -1.348 39.440 40.800 -0.020 0.000 0.961 26 D HN 0.280 8.635 8.370 -0.024 0.000 0.460 27 L N -0.785 120.419 121.223 -0.032 0.000 2.083 27 L HA -0.237 4.084 4.340 -0.031 0.000 0.209 27 L C 2.176 179.014 176.870 -0.053 0.000 1.083 27 L CA 1.997 56.815 54.840 -0.036 0.000 0.752 27 L CB -0.768 41.272 42.059 -0.032 0.000 0.899 27 L HN -0.837 7.376 8.230 -0.030 0.000 0.433 28 I N -1.380 119.155 120.570 -0.059 0.000 2.361 28 I HA -0.513 3.602 4.170 -0.092 0.000 0.251 28 I C 1.154 177.218 176.117 -0.089 0.000 1.133 28 I CA 3.135 64.388 61.300 -0.079 0.000 1.413 28 I CB -0.473 37.485 38.000 -0.071 0.000 1.073 28 I HN -0.031 8.033 8.210 -0.051 0.116 0.424 29 K N -2.040 118.320 120.400 -0.068 0.000 2.077 29 K HA -0.283 3.997 4.320 -0.066 0.000 0.213 29 K C 1.750 178.299 176.600 -0.085 0.000 1.051 29 K CA 2.401 58.649 56.287 -0.066 0.000 0.929 29 K CB -0.115 32.358 32.500 -0.046 0.000 0.715 29 K HN -0.396 7.812 8.250 -0.055 0.009 0.451 30 M N -3.240 116.313 119.600 -0.079 0.000 2.160 30 M HA -0.125 4.438 4.480 -0.080 -0.131 0.264 30 M C 0.997 177.208 176.300 -0.148 0.000 1.073 30 M CA 0.655 55.904 55.300 -0.085 0.000 1.142 30 M CB 0.072 32.643 32.600 -0.049 0.000 1.358 30 M HN -0.654 7.508 8.290 -0.064 0.090 0.422 31 A N -3.132 119.596 122.820 -0.153 0.000 2.993 31 A HA -0.179 4.038 4.320 -0.172 0.000 0.281 31 A C -0.805 176.472 177.584 -0.511 0.000 1.847 31 A CA 1.370 53.277 52.037 -0.216 0.000 1.470 31 A CB -1.873 17.068 19.000 -0.098 0.000 1.028 31 A HN -0.041 7.876 8.150 -0.109 0.167 0.604 32 R N 0.058 120.020 120.500 -0.897 0.000 1.913 32 R HA -0.033 3.311 4.340 -1.661 0.000 0.032 32 R C -0.881 174.974 176.300 -0.741 0.000 0.820 32 R CA 1.474 56.954 56.100 -1.033 0.000 3.383 32 R CB 1.517 31.570 30.300 -0.412 0.000 0.903 32 R HN -0.023 7.886 8.270 -0.688 -0.052 0.563 33 D N -3.809 116.371 120.400 -0.366 0.000 2.398 33 D HA 0.058 4.660 4.640 -0.063 0.000 0.210 33 D C 0.674 176.959 176.300 -0.024 0.000 1.094 33 D CA -0.207 53.719 54.000 -0.124 0.000 0.839 33 D CB 0.671 41.425 40.800 -0.076 0.000 0.963 33 D HN -0.068 8.105 8.370 -0.328 0.000 0.506 34 I N 1.579 122.130 120.570 -0.031 0.000 2.664 34 I HA -0.280 3.931 4.170 0.069 0.000 0.284 34 I C -0.408 175.840 176.117 0.219 0.000 1.154 34 I CA 1.128 62.491 61.300 0.106 0.000 1.402 34 I CB -0.112 37.969 38.000 0.134 0.000 1.395 34 I HN -0.809 7.359 8.210 -0.203 -0.080 0.545 35 K N 9.263 129.753 120.400 0.150 0.000 2.354 35 K HA 0.640 5.061 4.320 0.168 0.000 0.257 35 K C -2.232 174.443 176.600 0.123 0.000 1.062 35 K CA -2.941 53.433 56.287 0.144 0.000 0.971 35 K CB 0.574 33.145 32.500 0.118 0.000 1.305 35 K HN 0.178 8.493 8.250 0.108 0.000 0.449 36 P HA 0.035 4.686 4.420 0.107 -0.167 0.275 36 P C -1.713 175.657 177.300 0.117 0.000 1.227 36 P CA -0.686 62.482 63.100 0.112 0.000 0.781 36 P CB 1.239 33.001 31.700 0.105 0.000 0.906 37 I N 3.184 123.824 120.570 0.116 0.000 2.412 37 I HA 0.560 4.953 4.170 0.153 -0.132 0.296 37 I C -2.260 173.945 176.117 0.146 0.000 0.987 37 I CA -2.668 58.710 61.300 0.130 0.000 1.180 37 I CB 2.730 40.791 38.000 0.102 0.000 1.340 37 I HN -0.354 7.919 8.210 0.104 0.000 0.455 38 V N 7.645 127.679 119.914 0.200 0.000 2.823 38 V HA 0.539 4.940 4.120 0.181 -0.172 0.312 38 V C -2.156 174.098 176.094 0.266 0.000 1.072 38 V CA -1.550 60.888 62.300 0.231 0.000 0.937 38 V CB 4.363 36.335 31.823 0.247 0.000 1.013 38 V HN 0.772 9.105 8.190 0.240 0.000 0.430 39 E N 4.965 125.298 120.200 0.221 0.000 2.361 39 E HA 0.460 5.021 4.350 0.134 -0.131 0.270 39 E C -1.757 174.946 176.600 0.173 0.000 0.911 39 E CA -0.815 55.678 56.400 0.156 0.000 0.818 39 E CB 3.200 32.952 29.700 0.086 0.000 1.332 39 E HN 0.469 8.952 8.360 0.205 0.000 0.402 40 I N 5.185 125.886 120.570 0.218 0.000 2.377 40 I HA 0.475 4.938 4.170 0.209 -0.167 0.293 40 I C -1.760 174.455 176.117 0.163 0.000 0.987 40 I CA -1.133 60.310 61.300 0.238 0.000 1.185 40 I CB 2.214 40.443 38.000 0.383 0.000 1.341 40 I HN 0.874 9.216 8.210 0.220 0.000 0.455 41 Q N 7.123 126.995 119.800 0.120 0.000 2.337 41 Q HA 0.450 4.822 4.340 0.053 0.000 0.270 41 Q C -2.013 173.994 176.000 0.012 0.000 1.043 41 Q CA -2.146 53.687 55.803 0.050 0.000 0.794 41 Q CB 4.473 33.213 28.738 0.004 0.000 1.281 41 Q HN 0.574 8.916 8.270 0.120 0.000 0.446 42 Q N 1.600 121.380 119.800 -0.034 0.000 2.257 42 Q HA 0.540 4.601 4.340 -0.464 0.000 0.262 42 Q C -0.933 174.842 176.000 -0.374 0.000 0.997 42 Q CA -1.302 54.359 55.803 -0.237 0.000 0.873 42 Q CB 2.537 31.284 28.738 0.014 0.000 1.312 42 Q HN 0.263 8.530 8.270 -0.004 0.000 0.450 43 K N 1.724 121.714 120.400 -0.683 0.000 2.509 43 K HA 0.270 4.411 4.320 -0.299 0.000 0.266 43 K C 1.153 177.442 176.600 -0.519 0.000 0.987 43 K CA -1.263 54.739 56.287 -0.474 0.000 0.868 43 K CB 2.454 34.717 32.500 -0.396 0.000 1.421 43 K HN 0.418 7.888 8.250 -1.301 0.000 0.444 44 G N 2.736 111.372 108.800 -0.273 0.000 2.863 44 G HA2 -0.302 3.592 3.960 -0.110 0.000 0.248 44 G HA3 -0.302 3.583 3.960 -0.125 0.000 0.248 44 G C -0.733 174.074 174.900 -0.155 0.000 1.155 44 G CA 2.354 47.354 45.100 -0.166 0.000 0.752 44 G HN 0.370 8.533 8.290 -0.213 0.000 0.666 45 D N 0.939 121.237 120.400 -0.171 0.000 2.535 45 D HA 0.176 4.847 4.640 0.050 0.000 0.229 45 D C -2.010 174.196 176.300 -0.157 0.000 1.238 45 D CA -0.410 53.546 54.000 -0.073 0.000 0.824 45 D CB 0.899 41.690 40.800 -0.014 0.000 1.045 45 D HN 0.130 8.390 8.370 -0.182 0.000 0.500 46 D N 0.235 120.325 120.400 -0.516 0.000 2.481 46 D HA 0.479 5.080 4.640 -0.270 -0.123 0.244 46 D C -2.006 173.666 176.300 -1.046 0.000 1.057 46 D CA -0.172 53.526 54.000 -0.503 0.000 0.848 46 D CB 3.611 44.231 40.800 -0.300 0.000 1.388 46 D HN -0.482 7.338 8.370 -0.667 0.149 0.475 47 F N -0.865 118.761 119.950 -0.540 0.000 2.573 47 F HA 0.475 4.935 4.527 -0.368 -0.154 0.316 47 F C -1.540 173.967 175.800 -0.488 0.000 1.148 47 F CA -0.826 56.795 58.000 -0.632 0.000 0.940 47 F CB 4.036 42.334 39.000 -1.169 0.000 1.214 47 F HN 0.903 8.937 8.300 -0.443 0.000 0.448 48 V N 3.181 123.030 119.914 -0.108 0.000 2.483 48 V HA 0.197 4.300 4.120 -0.028 0.000 0.295 48 V C -1.479 174.651 176.094 0.060 0.000 1.035 48 V CA -0.818 61.465 62.300 -0.028 0.000 0.896 48 V CB 1.933 33.737 31.823 -0.032 0.000 0.986 48 V HN 0.828 8.967 8.190 -0.085 0.000 0.447 49 V N 8.338 128.310 119.914 0.097 0.000 2.443 49 V HA 0.343 4.563 4.120 0.166 0.000 0.293 49 V C -1.207 174.958 176.094 0.118 0.000 1.021 49 V CA -0.961 61.426 62.300 0.145 0.000 0.848 49 V CB 2.441 34.378 31.823 0.190 0.000 0.998 49 V HN 0.975 9.214 8.190 0.083 0.000 0.424 50 T N 10.189 124.814 114.554 0.118 0.000 2.859 50 T HA 0.332 4.732 4.350 0.085 0.000 0.281 50 T C -1.301 173.469 174.700 0.115 0.000 1.005 50 T CA -0.868 61.291 62.100 0.098 0.000 1.025 50 T CB 1.751 70.667 68.868 0.079 0.000 0.977 50 T HN 0.904 9.118 8.240 0.136 0.108 0.458 51 S N 3.940 119.700 115.700 0.099 0.000 2.536 51 S HA 0.642 5.366 4.470 0.117 -0.184 0.271 51 S C -1.892 172.759 174.600 0.084 0.000 1.134 51 S CA -0.174 58.088 58.200 0.103 0.000 0.897 51 S CB 3.525 66.789 63.200 0.106 0.000 1.094 51 S HN 0.206 8.567 8.310 0.085 0.000 0.473 52 K N 3.275 123.726 120.400 0.084 0.000 2.541 52 K HA 0.467 4.825 4.320 0.064 0.000 0.250 52 K C -1.697 174.948 176.600 0.075 0.000 0.950 52 K CA -1.398 54.932 56.287 0.071 0.000 0.805 52 K CB 3.613 36.151 32.500 0.063 0.000 1.166 52 K HN 0.507 8.815 8.250 0.095 0.000 0.430 53 T N 2.358 116.953 114.554 0.069 0.000 2.896 53 T HA 0.530 4.925 4.350 0.075 0.000 0.297 53 T C -1.875 172.857 174.700 0.054 0.000 1.108 53 T CA -2.918 59.224 62.100 0.070 0.000 1.004 53 T CB 1.124 70.040 68.868 0.080 0.000 1.159 53 T HN -0.175 8.103 8.240 0.063 0.000 0.499 54 P HA 0.055 4.494 4.420 0.032 0.000 0.230 54 P C -1.391 175.927 177.300 0.031 0.000 1.791 54 P CA 0.035 63.156 63.100 0.035 0.000 1.020 54 P CB -1.478 30.239 31.700 0.028 0.000 1.977 55 R N 0.291 120.812 120.500 0.034 0.000 4.548 55 R HA 0.161 4.514 4.340 0.023 0.000 0.077 55 R C -1.181 175.137 176.300 0.030 0.000 0.695 55 R CA 0.202 56.320 56.100 0.030 0.000 1.570 55 R CB 2.298 32.620 30.300 0.037 0.000 1.517 55 R HN 0.148 8.383 8.270 0.037 0.057 0.411 56 Q N -2.575 117.247 119.800 0.037 0.000 2.776 56 Q HA 0.199 4.559 4.340 0.032 0.000 0.289 56 Q C -2.218 173.809 176.000 0.044 0.000 0.912 56 Q CA -0.882 54.943 55.803 0.037 0.000 0.789 56 Q CB 2.628 31.387 28.738 0.034 0.000 1.498 56 Q HN -0.518 7.779 8.270 0.044 0.000 0.408 57 T N -1.590 112.989 114.554 0.043 0.000 2.855 57 T HA 0.060 4.563 4.350 0.054 -0.121 0.290 57 T C 0.669 175.401 174.700 0.053 0.000 0.941 57 T CA -0.388 61.742 62.100 0.049 0.000 1.030 57 T CB -0.124 68.769 68.868 0.042 0.000 0.935 57 T HN 0.256 8.518 8.240 0.037 0.000 0.564 58 V N 9.628 129.580 119.914 0.063 0.000 1.956 58 V HA -0.110 4.046 4.120 0.061 0.000 0.248 58 V C -1.067 175.072 176.094 0.075 0.000 1.615 58 V CA -0.460 61.881 62.300 0.068 0.000 1.558 58 V CB -1.756 30.112 31.823 0.076 0.000 1.529 58 V HN 0.288 8.518 8.190 0.067 0.000 0.505 59 T N 6.812 121.406 114.554 0.066 0.000 2.743 59 T HA 0.251 4.809 4.350 0.079 -0.160 0.293 59 T C -0.543 174.198 174.700 0.069 0.000 0.945 59 T CA 0.788 62.929 62.100 0.068 0.000 1.030 59 T CB 0.640 69.540 68.868 0.054 0.000 0.912 59 T HN -0.033 8.176 8.240 0.058 0.065 0.483 60 N N 7.276 126.027 118.700 0.085 0.000 2.902 60 N HA 0.344 5.132 4.740 0.080 0.000 0.268 60 N C -2.240 173.337 175.510 0.111 0.000 1.450 60 N CA -0.896 52.212 53.050 0.096 0.000 0.819 60 N CB 4.864 43.415 38.487 0.107 0.000 1.540 60 N HN 0.783 9.219 8.380 0.094 0.000 0.545 61 S N -2.784 113.001 115.700 0.142 0.000 2.615 61 S HA 0.605 5.229 4.470 0.116 -0.084 0.268 61 S C -2.354 172.401 174.600 0.258 0.000 1.146 61 S CA -0.083 58.195 58.200 0.130 0.000 0.818 61 S CB 2.716 65.937 63.200 0.035 0.000 1.111 61 S HN -0.071 8.329 8.310 0.149 0.000 0.465 62 F N -5.989 114.011 119.950 0.084 0.000 2.668 62 F HA 0.715 5.381 4.527 0.052 -0.109 0.309 62 F C -2.296 173.574 175.800 0.117 0.000 1.117 62 F CA -1.314 56.732 58.000 0.077 0.000 0.951 62 F CB 2.909 41.938 39.000 0.048 0.000 1.323 62 F HN 0.760 8.926 8.300 -0.223 0.000 0.451 63 T N 2.175 116.886 114.554 0.262 0.000 2.829 63 T HA 0.601 5.159 4.350 0.102 -0.147 0.280 63 T C 1.203 176.068 174.700 0.275 0.000 0.999 63 T CA -0.879 61.326 62.100 0.174 0.000 0.983 63 T CB 2.472 71.386 68.868 0.078 0.000 0.968 63 T HN 0.538 8.953 8.240 0.293 0.000 0.446 64 L N 5.079 126.442 121.223 0.233 0.000 1.955 64 L HA -0.144 4.287 4.340 0.150 0.000 0.213 64 L C 2.104 179.077 176.870 0.171 0.000 1.072 64 L CA 2.599 57.495 54.840 0.092 0.000 0.755 64 L CB -0.325 41.612 42.059 -0.203 0.000 0.888 64 L HN 0.592 8.945 8.230 0.204 0.000 0.432 65 G N -5.277 103.605 108.800 0.136 0.000 3.882 65 G HA2 -0.060 4.027 3.960 0.212 0.000 0.283 65 G HA3 -0.060 3.980 3.960 0.134 0.000 0.283 65 G C -1.359 173.604 174.900 0.105 0.000 1.283 65 G CA -0.004 45.189 45.100 0.155 0.000 1.402 65 G HN 0.220 8.561 8.290 0.086 0.000 0.618 66 K N -0.375 120.091 120.400 0.111 0.000 2.780 66 K HA 0.183 4.542 4.320 0.065 0.000 0.285 66 K C -1.554 175.096 176.600 0.084 0.000 2.287 66 K CA 0.051 56.386 56.287 0.081 0.000 1.226 66 K CB 1.329 33.867 32.500 0.062 0.000 2.852 66 K HN -0.573 7.686 8.250 0.143 0.076 0.573 67 E N -1.514 118.743 120.200 0.095 0.000 2.446 67 E HA 0.263 4.657 4.350 0.074 0.000 0.276 67 E C -2.712 173.965 176.600 0.127 0.000 0.969 67 E CA -0.757 55.695 56.400 0.087 0.000 0.800 67 E CB 3.871 33.608 29.700 0.062 0.000 1.341 67 E HN -0.138 8.285 8.360 0.104 0.000 0.460 68 A N 0.464 123.347 122.820 0.104 0.000 2.589 68 A HA 0.317 4.754 4.320 0.194 0.000 0.296 68 A C -2.007 175.621 177.584 0.073 0.000 1.062 68 A CA -0.207 51.907 52.037 0.128 0.000 0.686 68 A CB 2.903 21.956 19.000 0.088 0.000 1.282 68 A HN 0.311 8.503 8.150 0.070 0.000 0.404 69 D N 1.229 121.679 120.400 0.083 0.000 2.365 69 D HA 0.106 4.764 4.640 0.031 0.000 0.235 69 D C -1.814 174.522 176.300 0.061 0.000 1.368 69 D CA 0.247 54.279 54.000 0.053 0.000 1.001 69 D CB 1.969 42.798 40.800 0.048 0.000 1.364 69 D HN 0.155 8.602 8.370 0.127 0.000 0.577 70 I N 5.221 125.812 120.570 0.036 0.000 2.437 70 I HA 0.186 4.556 4.170 0.065 -0.161 0.279 70 I C -0.967 175.165 176.117 0.025 0.000 1.028 70 I CA -1.617 59.706 61.300 0.037 0.000 1.142 70 I CB -0.168 37.834 38.000 0.004 0.000 1.266 70 I HN 0.080 8.296 8.210 0.010 0.000 0.461 71 T N 8.598 123.176 114.554 0.040 0.000 2.937 71 T HA 0.240 4.609 4.350 0.031 0.000 0.283 71 T C -1.197 173.534 174.700 0.051 0.000 1.012 71 T CA -1.027 61.096 62.100 0.039 0.000 0.997 71 T CB 1.318 70.208 68.868 0.036 0.000 1.136 71 T HN 0.029 8.570 8.240 0.050 -0.270 0.551 72 T N -0.526 114.058 114.554 0.051 0.000 2.838 72 T HA 0.168 4.557 4.350 0.066 0.000 0.292 72 T C -2.196 172.533 174.700 0.047 0.000 1.113 72 T CA -0.916 61.220 62.100 0.060 0.000 1.008 72 T CB 2.313 71.225 68.868 0.074 0.000 1.259 72 T HN -0.041 8.226 8.240 0.044 0.000 0.520 73 M N 2.218 121.845 119.600 0.044 0.000 2.769 73 M HA 0.375 4.872 4.480 0.028 0.000 0.309 73 M C -2.295 174.017 176.300 0.021 0.000 1.427 73 M CA 0.904 56.223 55.300 0.031 0.000 0.657 73 M CB 0.192 32.810 32.600 0.030 0.000 1.947 73 M HN 0.244 8.565 8.290 0.051 0.000 0.396 74 D N 1.241 121.650 120.400 0.014 0.000 2.167 74 D HA 0.024 4.652 4.640 -0.020 0.000 0.191 74 D C -0.063 176.228 176.300 -0.015 0.000 1.452 74 D CA 0.493 54.485 54.000 -0.012 0.000 1.235 74 D CB 0.632 41.416 40.800 -0.027 0.000 2.541 74 D HN -0.034 8.350 8.370 0.023 0.000 0.275 75 G N -0.412 108.395 108.800 0.012 0.000 3.365 75 G HA2 0.069 4.043 3.960 0.024 0.000 0.185 75 G HA3 0.069 4.073 3.960 0.073 0.000 0.185 75 G C -0.576 174.354 174.900 0.050 0.000 1.565 75 G CA -0.490 44.634 45.100 0.040 0.000 0.984 75 G HN -0.270 8.037 8.290 0.028 0.000 0.604 76 K N -0.171 120.272 120.400 0.072 0.000 2.295 76 K HA 0.334 4.680 4.320 0.043 0.000 0.239 76 K C -0.561 176.075 176.600 0.061 0.000 0.991 76 K CA -1.366 54.955 56.287 0.058 0.000 0.845 76 K CB 2.275 34.808 32.500 0.055 0.000 1.197 76 K HN 0.046 8.357 8.250 0.102 0.000 0.441 77 K N 1.208 121.634 120.400 0.043 0.000 2.436 77 K HA -0.120 4.224 4.320 0.040 0.000 0.275 77 K C 0.415 177.037 176.600 0.036 0.000 0.999 77 K CA 0.161 56.470 56.287 0.036 0.000 0.980 77 K CB 0.111 32.624 32.500 0.022 0.000 0.919 77 K HN -0.125 8.146 8.250 0.035 0.000 0.484 78 L N 3.664 124.904 121.223 0.030 0.000 2.427 78 L HA 0.227 4.576 4.340 0.015 0.000 0.264 78 L C -0.779 176.073 176.870 -0.030 0.000 0.989 78 L CA -0.123 54.726 54.840 0.015 0.000 0.865 78 L CB 0.710 42.801 42.059 0.052 0.000 1.209 78 L HN 0.285 8.532 8.230 0.028 0.000 0.430 79 K N 4.089 124.464 120.400 -0.041 0.000 2.569 79 K HA 0.177 4.435 4.320 -0.104 0.000 0.259 79 K C -1.263 175.300 176.600 -0.063 0.000 0.932 79 K CA 0.109 56.356 56.287 -0.067 0.000 0.833 79 K CB 2.326 34.796 32.500 -0.049 0.000 1.340 79 K HN -0.071 8.163 8.250 -0.027 0.000 0.429 80 C N 3.120 122.369 119.300 -0.085 0.000 3.193 80 C HA 0.258 4.685 4.460 -0.055 0.000 0.411 80 C C -1.332 173.607 174.990 -0.085 0.000 1.682 80 C CA 0.249 59.223 59.018 -0.074 0.000 2.131 80 C CB 1.709 29.406 27.740 -0.073 0.000 2.471 80 C HN 0.269 8.430 8.230 -0.116 0.000 0.546 81 T N 0.604 115.086 114.554 -0.119 0.000 2.830 81 T HA 0.124 4.410 4.350 -0.107 0.000 0.322 81 T C -2.209 172.368 174.700 -0.205 0.000 1.501 81 T CA -0.179 61.845 62.100 -0.126 0.000 1.036 81 T CB 1.442 70.252 68.868 -0.097 0.000 1.379 81 T HN -0.365 7.790 8.240 -0.141 0.000 0.493 82 V N -0.710 119.064 119.914 -0.232 0.000 2.808 82 V HA 0.427 4.306 4.120 -0.401 0.000 0.308 82 V C -2.496 173.488 176.094 -0.183 0.000 1.099 82 V CA -1.596 60.453 62.300 -0.417 0.000 0.920 82 V CB 2.491 33.769 31.823 -0.909 0.000 1.014 82 V HN 0.015 8.118 8.190 -0.145 0.000 0.425 83 H N 2.811 121.708 119.070 -0.289 0.000 3.365 83 H HA 0.284 4.847 4.556 0.011 0.000 0.287 83 H C -2.429 172.833 175.328 -0.110 0.000 1.597 83 H CA -0.125 55.863 56.048 -0.100 0.000 1.192 83 H CB 4.089 33.809 29.762 -0.070 0.000 1.829 83 H HN 0.056 8.175 8.280 -0.268 0.000 0.739 84 L N -1.387 119.764 121.223 -0.118 0.000 2.349 84 L HA 0.189 4.584 4.340 -0.142 -0.140 0.278 84 L C -1.588 175.314 176.870 0.053 0.000 0.996 84 L CA -0.516 54.277 54.840 -0.078 0.000 0.825 84 L CB 1.106 43.109 42.059 -0.092 0.000 1.243 84 L HN 0.042 8.163 8.230 -0.181 0.000 0.412 85 A N 7.810 130.633 122.820 0.004 0.000 1.995 85 A HA 0.210 4.560 4.320 0.050 0.000 0.200 85 A C -0.675 176.923 177.584 0.023 0.000 1.566 85 A CA 0.848 52.898 52.037 0.023 0.000 0.895 85 A CB 1.896 20.896 19.000 -0.000 0.000 1.046 85 A HN 0.938 8.949 8.150 -0.052 0.107 0.523 86 N N -2.326 116.383 118.700 0.016 0.000 3.174 86 N HA -0.015 4.751 4.740 0.043 0.000 0.286 86 N C 1.740 177.284 175.510 0.057 0.000 1.151 86 N CA 0.368 53.442 53.050 0.041 0.000 1.386 86 N CB 0.502 39.018 38.487 0.049 0.000 0.951 86 N HN -0.612 7.762 8.380 -0.011 0.000 1.170 87 G N 1.218 110.072 108.800 0.091 0.000 2.524 87 G HA2 -0.141 3.933 3.960 0.190 0.000 0.215 87 G HA3 -0.141 4.066 3.960 0.320 -0.055 0.215 87 G C 0.192 175.112 174.900 0.034 0.000 1.239 87 G CA 1.421 46.625 45.100 0.173 0.000 0.798 87 G HN 0.119 8.552 8.290 0.094 -0.087 0.557 88 K N -3.779 116.508 120.400 -0.189 0.000 2.089 88 K HA 0.346 4.506 4.320 -0.267 0.000 0.314 88 K C -1.442 174.961 176.600 -0.329 0.000 0.972 88 K CA -0.451 55.616 56.287 -0.367 0.000 0.664 88 K CB 2.671 34.790 32.500 -0.636 0.000 3.511 88 K HN 0.058 8.589 8.250 -0.178 -0.388 1.238 89 L N -2.640 118.312 121.223 -0.453 0.000 2.466 89 L HA 0.225 4.509 4.340 -0.259 -0.101 0.257 89 L C -0.805 175.911 176.870 -0.257 0.000 1.189 89 L CA 0.740 55.363 54.840 -0.362 0.000 0.813 89 L CB -0.279 41.468 42.059 -0.521 0.000 1.118 89 L HN -0.016 7.844 8.230 -0.617 0.000 0.471 90 V N -0.440 119.364 119.914 -0.183 0.000 3.023 90 V HA 0.182 4.239 4.120 -0.105 0.000 0.294 90 V C -1.627 174.401 176.094 -0.111 0.000 1.324 90 V CA -0.127 62.108 62.300 -0.108 0.000 0.979 90 V CB 2.831 34.631 31.823 -0.039 0.000 1.093 90 V HN -0.105 7.975 8.190 -0.185 0.000 0.434 91 T N 6.356 120.854 114.554 -0.093 0.000 3.225 91 T HA 0.252 4.559 4.350 -0.072 0.000 0.356 91 T C -0.929 173.742 174.700 -0.049 0.000 1.460 91 T CA -0.127 61.920 62.100 -0.088 0.000 1.126 91 T CB 2.188 70.974 68.868 -0.136 0.000 1.321 91 T HN 0.184 8.603 8.240 -0.066 -0.219 0.478 92 K N 8.165 128.545 120.400 -0.034 0.000 2.278 92 K HA 0.160 4.483 4.320 0.004 0.000 0.237 92 K C -0.072 176.518 176.600 -0.016 0.000 1.229 92 K CA -0.574 55.705 56.287 -0.014 0.000 1.155 92 K CB -2.136 30.356 32.500 -0.013 0.000 1.590 92 K HN 0.374 8.599 8.250 -0.041 0.000 0.290 93 S N 2.601 118.295 115.700 -0.010 0.000 2.632 93 S HA 0.006 4.466 4.470 -0.017 0.000 0.267 93 S C 0.725 175.333 174.600 0.013 0.000 1.193 93 S CA -0.521 57.677 58.200 -0.004 0.000 1.003 93 S CB 1.255 64.451 63.200 -0.006 0.000 1.073 93 S HN -0.088 8.171 8.310 -0.002 0.050 0.553 94 E N 0.554 120.764 120.200 0.017 0.000 2.023 94 E HA -0.207 4.139 4.350 -0.006 0.000 0.196 94 E C 1.186 177.785 176.600 -0.002 0.000 1.003 94 E CA 2.782 59.184 56.400 0.003 0.000 0.809 94 E CB -0.172 29.529 29.700 0.001 0.000 0.755 94 E HN 0.456 8.828 8.360 0.020 0.000 0.449 95 K N -6.217 114.195 120.400 0.020 0.000 3.055 95 K HA -0.009 4.315 4.320 0.006 0.000 0.190 95 K C 0.456 177.096 176.600 0.066 0.000 1.786 95 K CA 0.196 56.481 56.287 -0.004 0.000 1.423 95 K CB 1.348 33.782 32.500 -0.111 0.000 2.075 95 K HN -0.422 7.863 8.250 0.058 0.000 0.629 96 F N -2.558 117.355 119.950 -0.062 0.000 2.546 96 F HA -0.525 4.005 4.527 0.005 0.000 0.723 96 F C -0.929 174.831 175.800 -0.067 0.000 0.485 96 F CA 3.091 61.062 58.000 -0.049 0.000 0.728 96 F CB -1.149 37.802 39.000 -0.082 0.000 1.601 96 F HN 0.128 8.492 8.300 0.106 0.000 0.271 97 S N -2.489 112.566 115.700 -1.076 0.000 3.798 97 S HA 0.210 4.432 4.470 -0.615 -0.121 0.227 97 S C -1.703 172.528 174.600 -0.616 0.000 1.126 97 S CA 1.167 58.711 58.200 -1.094 0.000 1.030 97 S CB 1.882 63.957 63.200 -1.875 0.000 1.189 97 S HN 0.089 7.946 8.310 -0.687 0.041 0.464 98 H N -1.055 117.819 119.070 -0.327 0.000 4.521 98 H HA 0.207 4.732 4.556 -0.051 0.000 0.386 98 H C -1.743 173.678 175.328 0.154 0.000 1.220 98 H CA -0.226 55.788 56.048 -0.056 0.000 0.707 98 H CB 0.330 30.050 29.762 -0.071 0.000 1.255 98 H HN -0.315 7.350 8.280 -1.025 0.000 0.732 99 E N -0.334 120.162 120.200 0.493 0.000 2.941 99 E HA 0.195 4.742 4.350 0.330 0.000 0.180 99 E C -0.435 176.473 176.600 0.512 0.000 1.130 99 E CA 0.518 57.148 56.400 0.384 0.000 1.243 99 E CB 2.096 31.918 29.700 0.203 0.000 1.582 99 E HN 0.289 9.021 8.360 0.620 0.000 0.499 100 Q N -1.138 118.935 119.800 0.455 0.000 2.709 100 Q HA 0.135 4.858 4.340 0.639 0.000 0.232 100 Q C -1.919 174.182 176.000 0.168 0.000 0.856 100 Q CA 0.121 56.170 55.803 0.410 0.000 0.788 100 Q CB 1.070 29.971 28.738 0.272 0.000 1.386 100 Q HN -0.278 8.182 8.270 0.318 0.000 0.453 101 E N 6.532 126.735 120.200 0.006 0.000 2.642 101 E HA 0.165 4.421 4.350 -0.157 0.000 0.284 101 E C -2.471 173.962 176.600 -0.279 0.000 1.039 101 E CA -0.119 56.115 56.400 -0.276 0.000 0.777 101 E CB 0.989 30.295 29.700 -0.655 0.000 1.473 101 E HN 0.087 8.609 8.360 0.270 0.000 0.388 102 V N 2.098 121.853 119.914 -0.265 0.000 2.760 102 V HA 0.232 4.126 4.120 -0.376 0.000 0.309 102 V C -0.504 175.474 176.094 -0.193 0.000 1.077 102 V CA -1.585 60.489 62.300 -0.377 0.000 0.910 102 V CB 2.960 34.304 31.823 -0.797 0.000 1.008 102 V HN 0.047 8.139 8.190 -0.163 0.000 0.424 103 K N 4.755 125.079 120.400 -0.126 0.000 2.166 103 K HA 0.316 4.626 4.320 -0.016 0.000 0.245 103 K C 1.602 178.248 176.600 0.077 0.000 0.967 103 K CA -1.446 54.829 56.287 -0.020 0.000 0.863 103 K CB 1.637 34.129 32.500 -0.013 0.000 1.107 103 K HN 0.532 8.679 8.250 -0.171 0.000 0.436 104 G N 2.058 110.909 108.800 0.084 0.000 2.783 104 G HA2 -0.373 3.648 3.960 0.102 0.000 0.225 104 G HA3 -0.373 3.631 3.960 0.072 0.000 0.225 104 G C -0.450 174.556 174.900 0.176 0.000 1.191 104 G CA 2.619 47.783 45.100 0.107 0.000 0.774 104 G HN 0.457 8.778 8.290 0.051 0.000 0.632 105 N N 0.134 118.944 118.700 0.184 0.000 2.451 105 N HA 0.146 4.996 4.740 0.183 0.000 0.271 105 N C -2.100 173.636 175.510 0.376 0.000 1.410 105 N CA -0.145 53.030 53.050 0.208 0.000 0.884 105 N CB 0.750 39.259 38.487 0.037 0.000 1.332 105 N HN -0.078 8.381 8.380 0.133 0.000 0.498 106 E N -0.094 120.339 120.200 0.388 0.000 2.302 106 E HA 0.359 4.901 4.350 0.320 0.000 0.263 106 E C -2.709 173.786 176.600 -0.175 0.000 0.897 106 E CA -0.344 56.172 56.400 0.192 0.000 0.809 106 E CB 3.294 33.041 29.700 0.077 0.000 1.270 106 E HN -0.002 8.440 8.360 0.339 0.121 0.410 107 M N 7.085 126.312 119.600 -0.623 0.000 2.754 107 M HA 0.342 4.399 4.480 -0.705 0.000 0.327 107 M C -2.456 173.610 176.300 -0.390 0.000 1.288 107 M CA -1.178 53.617 55.300 -0.842 0.000 1.324 107 M CB 0.718 32.320 32.600 -1.664 0.000 1.169 107 M HN 0.392 8.416 8.290 -0.442 0.000 0.494 108 V N 1.503 121.273 119.914 -0.240 0.000 2.180 108 V HA 0.446 4.609 4.120 -0.117 -0.113 0.265 108 V C -0.893 175.119 176.094 -0.136 0.000 1.214 108 V CA -2.598 59.619 62.300 -0.140 0.000 1.130 108 V CB -1.112 30.664 31.823 -0.079 0.000 1.266 108 V HN -0.292 7.747 8.190 -0.252 0.000 0.473 109 E N 3.402 123.535 120.200 -0.111 0.000 1.774 109 E HA -0.044 4.359 4.350 0.089 0.000 0.265 109 E C -0.477 176.077 176.600 -0.077 0.000 1.207 109 E CA -0.410 55.989 56.400 -0.000 0.000 1.054 109 E CB -1.702 27.994 29.700 -0.007 0.000 1.074 109 E HN -0.322 7.898 8.360 -0.153 0.048 0.433 110 T N 2.770 117.279 114.554 -0.075 0.000 3.243 110 T HA 0.055 4.489 4.350 -0.114 -0.151 0.264 110 T C -1.333 173.326 174.700 -0.068 0.000 1.000 110 T CA -1.048 60.998 62.100 -0.090 0.000 0.901 110 T CB -0.149 68.667 68.868 -0.088 0.000 1.083 110 T HN -0.188 7.990 8.240 -0.085 0.011 0.559 111 I N 0.145 120.691 120.570 -0.040 0.000 5.919 111 I HA 0.553 4.700 4.170 -0.038 0.000 0.200 111 I C -1.322 174.760 176.117 -0.057 0.000 0.707 111 I CA -1.540 59.743 61.300 -0.028 0.000 2.435 111 I CB 1.159 39.178 38.000 0.031 0.000 1.363 111 I HN -0.826 7.290 8.210 -0.016 0.085 0.496 112 T N -0.671 113.837 114.554 -0.076 0.000 2.879 112 T HA 0.450 4.935 4.350 -0.038 -0.157 0.290 112 T C 0.968 175.592 174.700 -0.126 0.000 0.993 112 T CA -2.146 59.904 62.100 -0.083 0.000 0.975 112 T CB 1.690 70.504 68.868 -0.091 0.000 0.981 112 T HN -0.343 7.850 8.240 -0.077 0.000 0.439 113 F N 7.604 127.476 119.950 -0.129 0.000 2.146 113 F HA 0.131 4.715 4.527 -0.220 -0.189 0.298 113 F C -1.344 174.439 175.800 -0.030 0.000 1.096 113 F CA 0.969 58.906 58.000 -0.104 0.000 1.275 113 F CB 0.999 40.009 39.000 0.016 0.000 1.008 113 F HN -0.015 8.393 8.300 0.180 0.000 0.480 114 G N -4.455 103.620 108.800 -1.208 0.000 4.371 114 G HA2 -0.138 3.511 3.960 -0.518 0.000 0.160 114 G HA3 -0.138 3.101 3.960 -1.201 0.000 0.160 114 G C -0.382 174.096 174.900 -0.703 0.000 1.271 114 G CA 0.528 45.041 45.100 -0.978 0.000 0.982 114 G HN -0.966 6.733 8.290 -0.984 0.000 0.318 115 G N 1.055 109.339 108.800 -0.861 0.000 2.441 115 G HA2 0.038 3.901 3.960 -0.161 0.000 0.212 115 G HA3 0.038 3.984 3.960 -0.024 0.000 0.212 115 G C -0.107 174.790 174.900 -0.004 0.000 1.164 115 G CA 0.357 45.333 45.100 -0.206 0.000 0.811 115 G HN 0.217 7.320 8.290 -1.979 0.000 0.535 116 V N 0.596 120.628 119.914 0.198 0.000 2.732 116 V HA 0.167 4.374 4.120 0.145 0.000 0.310 116 V C -0.792 175.396 176.094 0.157 0.000 1.053 116 V CA -1.444 61.004 62.300 0.247 0.000 0.957 116 V CB 3.083 35.143 31.823 0.396 0.000 1.018 116 V HN -0.640 7.748 8.190 0.329 0.000 0.452 117 T N 2.644 117.244 114.554 0.076 0.000 2.781 117 T HA 0.266 4.780 4.350 -0.000 -0.164 0.305 117 T C -0.894 173.803 174.700 -0.006 0.000 1.001 117 T CA -0.990 61.119 62.100 0.015 0.000 0.950 117 T CB 0.390 69.255 68.868 -0.004 0.000 0.955 117 T HN 0.052 8.336 8.240 0.073 0.000 0.471 118 L N 7.174 128.361 121.223 -0.058 0.000 2.305 118 L HA 0.315 4.593 4.340 -0.103 0.000 0.284 118 L C -1.026 175.749 176.870 -0.159 0.000 1.013 118 L CA -1.463 53.293 54.840 -0.140 0.000 0.819 118 L CB 2.666 44.543 42.059 -0.303 0.000 1.227 118 L HN 0.064 8.256 8.230 -0.063 0.000 0.417 119 I N 7.062 127.550 120.570 -0.136 0.000 2.366 119 I HA -0.132 3.965 4.170 -0.121 0.000 0.302 119 I C -1.133 174.873 176.117 -0.186 0.000 1.194 119 I CA -0.498 60.721 61.300 -0.134 0.000 1.667 119 I CB -1.740 36.199 38.000 -0.102 0.000 1.501 119 I HN 0.484 8.627 8.210 -0.113 0.000 0.776 120 R N 6.245 126.615 120.500 -0.217 0.000 2.205 120 R HA 0.199 4.487 4.340 -0.277 -0.115 0.342 120 R C -0.969 175.221 176.300 -0.183 0.000 1.058 120 R CA -1.643 54.304 56.100 -0.255 0.000 0.904 120 R CB -0.243 29.850 30.300 -0.344 0.000 1.089 120 R HN -0.343 7.768 8.270 -0.203 0.036 0.471 121 R N 7.560 127.961 120.500 -0.164 0.000 2.265 121 R HA 0.154 4.467 4.340 -0.045 0.000 0.328 121 R C -1.642 174.693 176.300 0.058 0.000 0.969 121 R CA -0.503 55.560 56.100 -0.063 0.000 0.832 121 R CB 1.693 31.923 30.300 -0.117 0.000 1.139 121 R HN 0.830 8.970 8.270 -0.216 0.000 0.457 122 S N 4.413 120.161 115.700 0.080 0.000 2.605 122 S HA 0.514 5.286 4.470 0.283 -0.132 0.308 122 S C -1.162 173.607 174.600 0.281 0.000 1.113 122 S CA -1.565 56.746 58.200 0.184 0.000 1.049 122 S CB 1.806 65.062 63.200 0.094 0.000 1.001 122 S HN 0.230 8.532 8.310 -0.014 0.000 0.480 123 K N 3.842 124.453 120.400 0.352 0.000 2.166 123 K HA 0.331 4.884 4.320 0.389 0.000 0.245 123 K C -0.780 176.012 176.600 0.321 0.000 0.967 123 K CA -1.600 54.871 56.287 0.308 0.000 0.863 123 K CB 3.436 35.943 32.500 0.010 0.000 1.107 123 K HN 0.282 8.728 8.250 0.327 0.000 0.436 124 R N 2.671 123.276 120.500 0.175 0.000 2.594 124 R HA 0.022 4.353 4.340 -0.319 -0.183 0.272 124 R C -1.022 175.212 176.300 -0.110 0.000 1.074 124 R CA 0.410 56.407 56.100 -0.173 0.000 1.105 124 R CB 0.731 30.818 30.300 -0.356 0.000 1.008 124 R HN -0.197 8.214 8.270 0.234 0.000 0.472 125 V N 0.000 119.830 119.914 -0.141 0.000 2.409 125 V HA 0.000 4.069 4.120 -0.084 0.000 0.244 125 V CA 0.000 62.244 62.300 -0.094 0.000 1.235 125 V CB 0.000 31.793 31.823 -0.050 0.000 1.184 125 V HN 0.000 8.064 8.190 -0.209 0.000 0.556