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 1z0u_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRAAVVYKTD GHVKRIEEAL KRLEVEVELF NQPSEELENF DFIVSVGGDG DATA SEQUENCE TILRILQKLK RCPPIFGINT GRVGLLTHAS PENFEVELKK AVEKFEVERF DATA SEQUENCE PRVSCSAMPD VLALNEIAVL SRKPAKMIDV ALRVDGVEVD RIRCDGFIVA DATA SEQUENCE TQIGSTGYAF SAGGPVVEPY LECFILIPIA PFRFGWKPYV VSMERKIEVI DATA SEQUENCE AEKAIVVADG QKSVDFDGEI TIEKSEFPAV FFKNEKRFRN LFGKVRSIG 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 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1 M C 0.000 176.357 176.300 0.094 0.000 1.140 1 M CA 0.000 55.364 55.300 0.106 0.000 0.988 1 M CB 0.000 32.735 32.600 0.225 0.000 1.302 2 R N 0.893 121.441 120.500 0.079 0.000 2.621 2 R HA 0.913 5.252 4.340 -0.002 0.000 0.292 2 R C -1.680 174.670 176.300 0.082 0.000 0.969 2 R CA -0.311 55.840 56.100 0.085 0.000 0.887 2 R CB 2.172 32.505 30.300 0.056 0.000 1.180 2 R HN 0.828 9.098 8.270 0.000 0.000 0.450 3 A N 2.379 125.187 122.820 -0.020 0.000 2.374 3 A HA 0.815 5.133 4.320 -0.002 0.000 0.317 3 A C -1.120 176.338 177.584 -0.211 0.000 1.094 3 A CA -0.663 51.178 52.037 -0.327 0.000 0.765 3 A CB 1.733 20.235 19.000 -0.830 0.000 1.268 3 A HN 0.791 8.941 8.150 0.000 0.000 0.438 4 A N 1.255 123.722 122.820 -0.588 0.000 2.290 4 A HA 0.605 4.924 4.320 -0.002 0.000 0.310 4 A C -0.492 176.969 177.584 -0.205 0.000 1.202 4 A CA -0.368 51.282 52.037 -0.645 0.000 0.837 4 A CB 0.443 18.672 19.000 -1.284 0.000 1.139 4 A HN 1.073 9.223 8.150 0.000 0.000 0.509 5 V N 3.977 123.897 119.914 0.011 0.000 2.350 5 V HA 0.332 4.451 4.120 -0.002 0.000 0.276 5 V C -0.216 175.984 176.094 0.177 0.000 1.028 5 V CA -0.347 62.010 62.300 0.095 0.000 0.860 5 V CB 1.108 33.004 31.823 0.121 0.000 0.990 5 V HN 0.603 8.793 8.190 0.000 0.000 0.453 6 V N 6.961 126.935 119.914 0.101 0.000 2.417 6 V HA 0.584 4.703 4.120 -0.002 0.000 0.291 6 V C -0.553 175.600 176.094 0.099 0.000 1.024 6 V CA -0.645 61.680 62.300 0.042 0.000 0.861 6 V CB 1.073 32.859 31.823 -0.061 0.000 0.985 6 V HN 0.866 9.056 8.190 0.000 0.000 0.436 7 Y N 2.697 123.021 120.300 0.040 0.000 2.605 7 Y HA 0.678 5.226 4.550 -0.002 0.000 0.343 7 Y C 0.705 176.618 175.900 0.021 0.000 1.036 7 Y CA -1.270 56.843 58.100 0.022 0.000 1.065 7 Y CB 1.638 40.106 38.460 0.013 0.000 1.288 7 Y HN 0.498 8.778 8.280 0.000 0.000 0.481 8 K N -0.069 120.446 120.400 0.191 0.000 2.172 8 K HA 0.206 4.525 4.320 -0.002 0.000 0.203 8 K C -0.025 176.720 176.600 0.241 0.000 1.040 8 K CA 0.973 57.328 56.287 0.112 0.000 0.974 8 K CB -0.126 32.411 32.500 0.062 0.000 0.857 8 K HN 0.754 9.004 8.250 0.000 0.000 0.464 9 T N 0.283 114.988 114.554 0.251 0.000 2.925 9 T HA 0.259 4.607 4.350 -0.002 0.000 0.285 9 T C -0.675 174.085 174.700 0.100 0.000 1.021 9 T CA -0.855 61.359 62.100 0.191 0.000 1.042 9 T CB 1.468 70.384 68.868 0.081 0.000 1.037 9 T HN -0.010 8.230 8.240 0.000 0.000 0.481 10 D N 2.070 122.420 120.400 -0.083 0.000 2.662 10 D HA 0.300 4.939 4.640 -0.002 0.000 0.228 10 D C 1.424 177.584 176.300 -0.234 0.000 1.090 10 D CA 0.332 54.103 54.000 -0.382 0.000 1.118 10 D CB -0.473 40.172 40.800 -0.258 0.000 1.129 10 D HN 0.748 9.118 8.370 0.000 0.000 0.472 11 G N 0.146 108.843 108.800 -0.172 0.000 2.781 11 G HA2 -0.180 3.778 3.960 -0.002 0.000 0.157 11 G HA3 -0.180 3.778 3.960 -0.002 0.000 0.157 11 G C 0.236 175.090 174.900 -0.077 0.000 1.823 11 G CA -0.064 45.010 45.100 -0.043 0.000 0.932 11 G HN 0.453 8.743 8.290 0.000 0.000 0.398 12 H N 0.154 119.148 119.070 -0.126 0.000 2.713 12 H HA 0.287 4.841 4.556 -0.002 0.000 0.294 12 H C 1.886 177.117 175.328 -0.161 0.000 1.366 12 H CA 0.051 56.035 56.048 -0.106 0.000 1.139 12 H CB 0.103 29.821 29.762 -0.074 0.000 1.487 12 H HN 0.199 8.479 8.280 0.000 0.000 0.504 13 V N -1.683 118.146 119.914 -0.143 0.000 2.379 13 V HA -0.141 3.977 4.120 -0.002 0.000 0.245 13 V C 2.285 178.323 176.094 -0.093 0.000 1.044 13 V CA 1.290 63.486 62.300 -0.173 0.000 1.036 13 V CB -0.188 31.414 31.823 -0.369 0.000 0.664 13 V HN 0.201 8.391 8.190 0.000 0.000 0.453 14 K N 0.330 120.679 120.400 -0.084 0.000 2.057 14 K HA -0.139 4.180 4.320 -0.002 0.000 0.207 14 K C 2.403 179.022 176.600 0.031 0.000 1.049 14 K CA 1.439 57.706 56.287 -0.032 0.000 0.931 14 K CB -0.231 32.243 32.500 -0.044 0.000 0.714 14 K HN 0.294 8.544 8.250 0.000 0.000 0.440 15 R N 0.502 121.046 120.500 0.072 0.000 2.070 15 R HA 0.001 4.340 4.340 -0.002 0.000 0.233 15 R C 2.038 178.514 176.300 0.292 0.000 1.137 15 R CA 1.634 57.861 56.100 0.212 0.000 0.945 15 R CB -0.497 30.024 30.300 0.368 0.000 0.845 15 R HN 0.230 8.500 8.270 0.000 0.000 0.430 16 I N 0.458 121.118 120.570 0.150 0.000 2.208 16 I HA -0.287 3.882 4.170 -0.002 0.000 0.245 16 I C 2.176 178.367 176.117 0.124 0.000 1.097 16 I CA 1.447 62.785 61.300 0.062 0.000 1.363 16 I CB -0.313 37.532 38.000 -0.257 0.000 1.051 16 I HN 0.298 8.508 8.210 0.000 0.000 0.413 17 E N 0.489 120.731 120.200 0.069 0.000 2.070 17 E HA -0.294 4.055 4.350 -0.002 0.000 0.197 17 E C 2.109 178.759 176.600 0.083 0.000 1.004 17 E CA 1.616 58.054 56.400 0.064 0.000 0.805 17 E CB -0.074 29.648 29.700 0.035 0.000 0.744 17 E HN 0.494 8.854 8.360 0.000 0.000 0.451 18 E N 0.050 120.306 120.200 0.095 0.000 2.110 18 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 18 E C 1.845 178.504 176.600 0.098 0.000 0.988 18 E CA 1.048 57.500 56.400 0.086 0.000 0.804 18 E CB -0.039 29.711 29.700 0.083 0.000 0.745 18 E HN 0.252 8.612 8.360 0.000 0.000 0.458 19 A N 0.485 123.394 122.820 0.149 0.000 1.898 19 A HA -0.136 4.182 4.320 -0.002 0.000 0.216 19 A C 1.951 179.600 177.584 0.108 0.000 1.181 19 A CA 0.840 52.956 52.037 0.132 0.000 0.620 19 A CB -0.368 18.767 19.000 0.226 0.000 0.819 19 A HN 0.150 8.300 8.150 0.000 0.000 0.442 20 L N 0.216 121.517 121.223 0.129 0.000 2.083 20 L HA -0.137 4.201 4.340 -0.002 0.000 0.209 20 L C 2.397 179.327 176.870 0.101 0.000 1.083 20 L CA 2.059 56.975 54.840 0.127 0.000 0.752 20 L CB -1.050 41.084 42.059 0.123 0.000 0.899 20 L HN 0.477 8.707 8.230 0.000 0.000 0.433 21 K N 0.208 120.657 120.400 0.081 0.000 2.148 21 K HA -0.137 4.181 4.320 -0.002 0.000 0.204 21 K C 2.023 178.655 176.600 0.054 0.000 1.050 21 K CA 0.942 57.267 56.287 0.063 0.000 0.942 21 K CB 0.141 32.673 32.500 0.053 0.000 0.724 21 K HN 0.292 8.542 8.250 0.000 0.000 0.446 22 R N 0.118 120.649 120.500 0.051 0.000 2.236 22 R HA 0.068 4.407 4.340 -0.002 0.000 0.208 22 R C 1.827 178.148 176.300 0.036 0.000 1.036 22 R CA 0.337 56.459 56.100 0.036 0.000 1.001 22 R CB 0.027 30.343 30.300 0.027 0.000 0.896 22 R HN 0.147 8.417 8.270 0.000 0.000 0.464 23 L N 0.673 121.927 121.223 0.050 0.000 2.612 23 L HA 0.075 4.414 4.340 -0.002 0.000 0.230 23 L C -0.092 176.820 176.870 0.071 0.000 1.140 23 L CA 0.137 55.011 54.840 0.056 0.000 0.896 23 L CB -0.122 41.979 42.059 0.069 0.000 1.065 23 L HN 0.093 8.323 8.230 0.000 0.000 0.447 24 E N -0.881 119.357 120.200 0.064 0.000 2.791 24 E HA -0.172 4.177 4.350 -0.002 0.000 0.271 24 E C -0.522 176.128 176.600 0.083 0.000 1.044 24 E CA 0.349 56.786 56.400 0.061 0.000 0.814 24 E CB -1.179 28.549 29.700 0.047 0.000 1.400 24 E HN 0.184 8.544 8.360 0.000 0.000 0.423 25 V N 0.891 120.869 119.914 0.107 0.000 2.472 25 V HA 0.255 4.373 4.120 -0.002 0.000 0.290 25 V C 0.769 176.912 176.094 0.083 0.000 1.037 25 V CA -0.475 61.899 62.300 0.124 0.000 0.908 25 V CB 1.689 33.630 31.823 0.198 0.000 0.985 25 V HN 0.099 8.289 8.190 0.000 0.000 0.454 26 E N 2.683 122.925 120.200 0.072 0.000 2.343 26 E HA 0.558 4.906 4.350 -0.002 0.000 0.269 26 E C -1.149 175.499 176.600 0.080 0.000 1.047 26 E CA -0.488 55.953 56.400 0.068 0.000 0.874 26 E CB 1.959 31.697 29.700 0.063 0.000 1.033 26 E HN 0.430 8.790 8.360 0.000 0.000 0.409 27 V N 2.210 122.173 119.914 0.081 0.000 2.735 27 V HA 0.323 4.441 4.120 -0.002 0.000 0.310 27 V C -0.404 175.752 176.094 0.104 0.000 1.061 27 V CA -0.900 61.449 62.300 0.082 0.000 0.913 27 V CB 1.999 33.851 31.823 0.049 0.000 1.005 27 V HN 0.606 8.796 8.190 0.000 0.000 0.428 28 E N 3.711 123.986 120.200 0.123 0.000 2.256 28 E HA 0.551 4.900 4.350 -0.002 0.000 0.268 28 E C -1.367 175.203 176.600 -0.051 0.000 0.877 28 E CA -0.576 55.851 56.400 0.044 0.000 0.757 28 E CB 2.939 32.743 29.700 0.172 0.000 1.183 28 E HN 0.486 8.846 8.360 0.000 0.000 0.418 29 L N 2.138 123.271 121.223 -0.149 0.000 2.334 29 L HA 0.513 4.852 4.340 -0.002 0.000 0.277 29 L C -0.462 176.186 176.870 -0.369 0.000 1.075 29 L CA -0.628 54.186 54.840 -0.043 0.000 0.804 29 L CB 0.396 42.526 42.059 0.119 0.000 1.174 29 L HN 0.389 8.619 8.230 0.000 0.000 0.438 30 F N 1.053 120.929 119.950 -0.122 0.000 2.539 30 F HA 0.255 4.781 4.527 -0.002 0.000 0.328 30 F C 0.839 176.334 175.800 -0.508 0.000 1.148 30 F CA -0.733 57.130 58.000 -0.229 0.000 0.940 30 F CB 1.285 40.164 39.000 -0.201 0.000 1.194 30 F HN 0.405 8.705 8.300 0.000 0.000 0.438 31 N N 2.155 120.633 118.700 -0.369 0.000 2.396 31 N HA -0.088 4.651 4.740 -0.002 0.000 0.180 31 N C -0.287 175.054 175.510 -0.282 0.000 1.028 31 N CA 0.845 53.569 53.050 -0.543 0.000 0.893 31 N CB 0.296 38.625 38.487 -0.262 0.000 0.967 31 N HN 0.738 9.118 8.380 0.000 0.000 0.440 32 Q N -0.454 119.280 119.800 -0.111 0.000 2.345 32 Q HA 0.500 4.839 4.340 -0.002 0.000 0.275 32 Q C -3.008 172.990 176.000 -0.005 0.000 1.063 32 Q CA -1.976 53.795 55.803 -0.053 0.000 0.819 32 Q CB 2.175 30.896 28.738 -0.028 0.000 1.356 32 Q HN -0.030 8.240 8.270 0.000 0.000 0.418 33 P HA 0.088 4.508 4.420 0.000 0.000 0.274 33 P C -0.735 176.522 177.300 -0.072 0.000 1.231 33 P CA 0.070 63.103 63.100 -0.112 0.000 0.790 33 P CB 1.351 32.984 31.700 -0.112 0.000 0.951 34 S N -0.671 114.959 115.700 -0.117 0.000 2.671 34 S HA 0.249 4.717 4.470 -0.002 0.000 0.277 34 S C 0.867 175.420 174.600 -0.078 0.000 1.165 34 S CA -0.681 57.489 58.200 -0.050 0.000 0.822 34 S CB 1.527 64.749 63.200 0.038 0.000 1.150 34 S HN 0.404 8.714 8.310 0.000 0.000 0.479 35 E N 0.096 120.273 120.200 -0.038 0.000 2.333 35 E HA -0.141 4.207 4.350 -0.002 0.000 0.198 35 E C 1.436 178.028 176.600 -0.015 0.000 1.007 35 E CA 1.030 57.407 56.400 -0.038 0.000 0.845 35 E CB -0.067 29.616 29.700 -0.028 0.000 0.766 35 E HN 0.653 9.013 8.360 0.000 0.000 0.507 36 E N 0.232 120.445 120.200 0.021 0.000 2.333 36 E HA -0.149 4.200 4.350 -0.002 0.000 0.198 36 E C 1.490 178.167 176.600 0.127 0.000 1.007 36 E CA 0.688 57.149 56.400 0.103 0.000 0.845 36 E CB -0.140 29.703 29.700 0.239 0.000 0.766 36 E HN 0.377 8.737 8.360 0.000 0.000 0.507 37 L N 0.542 121.719 121.223 -0.076 0.000 2.362 37 L HA -0.125 4.214 4.340 -0.002 0.000 0.219 37 L C 2.166 179.102 176.870 0.109 0.000 1.134 37 L CA 1.369 56.142 54.840 -0.112 0.000 0.807 37 L CB -0.615 41.239 42.059 -0.342 0.000 0.927 37 L HN 0.291 8.521 8.230 0.000 0.000 0.447 38 E N -0.370 119.866 120.200 0.060 0.000 2.338 38 E HA -0.173 4.175 4.350 -0.002 0.000 0.197 38 E C 1.026 177.663 176.600 0.061 0.000 1.007 38 E CA 0.883 57.311 56.400 0.047 0.000 0.849 38 E CB -0.150 29.547 29.700 -0.006 0.000 0.774 38 E HN 0.383 8.743 8.360 0.000 0.000 0.506 39 N N 0.283 119.014 118.700 0.051 0.000 2.389 39 N HA 0.149 4.887 4.740 -0.002 0.000 0.237 39 N C -1.352 173.885 175.510 -0.456 0.000 1.148 39 N CA 0.231 53.184 53.050 -0.161 0.000 0.854 39 N CB 0.069 38.428 38.487 -0.214 0.000 1.115 39 N HN 0.102 8.482 8.380 0.000 0.000 0.492 40 F N -0.575 119.369 119.950 -0.010 0.000 2.576 40 F HA 0.310 4.836 4.527 -0.002 0.000 0.313 40 F C 1.407 177.229 175.800 0.037 0.000 1.078 40 F CA -1.050 56.945 58.000 -0.010 0.000 0.921 40 F CB 1.687 40.656 39.000 -0.052 0.000 1.232 40 F HN -0.159 8.141 8.300 0.000 0.000 0.459 41 D N 1.359 121.903 120.400 0.240 0.000 2.144 41 D HA -0.061 4.578 4.640 -0.002 0.000 0.200 41 D C -0.056 176.584 176.300 0.566 0.000 0.978 41 D CA 1.799 55.999 54.000 0.334 0.000 0.833 41 D CB 0.202 41.209 40.800 0.344 0.000 0.961 41 D HN 0.312 8.682 8.370 0.000 0.000 0.470 42 F N -1.244 118.915 119.950 0.347 0.000 2.711 42 F HA 0.572 5.098 4.527 -0.002 0.000 0.313 42 F C -1.714 174.205 175.800 0.198 0.000 1.141 42 F CA -1.374 56.796 58.000 0.283 0.000 0.941 42 F CB 1.099 40.365 39.000 0.442 0.000 1.349 42 F HN -0.391 7.909 8.300 0.000 0.000 0.464 43 I N 2.446 123.212 120.570 0.326 0.000 2.466 43 I HA 0.486 4.655 4.170 -0.002 0.000 0.289 43 I C -1.150 175.146 176.117 0.297 0.000 1.026 43 I CA -1.194 60.174 61.300 0.113 0.000 1.078 43 I CB 2.118 40.121 38.000 0.006 0.000 1.249 43 I HN 0.488 8.698 8.210 0.000 0.000 0.429 44 V N 5.046 125.091 119.914 0.218 0.000 2.350 44 V HA 0.331 4.450 4.120 -0.002 0.000 0.276 44 V C 0.287 176.488 176.094 0.178 0.000 1.028 44 V CA -0.455 62.017 62.300 0.288 0.000 0.860 44 V CB 1.360 33.333 31.823 0.251 0.000 0.990 44 V HN 0.845 9.035 8.190 0.000 0.000 0.453 45 S N 4.772 120.586 115.700 0.190 0.000 2.462 45 S HA 0.719 5.188 4.470 -0.002 0.000 0.294 45 S C -0.713 173.955 174.600 0.112 0.000 1.144 45 S CA -0.687 57.589 58.200 0.126 0.000 1.088 45 S CB 1.652 64.918 63.200 0.110 0.000 1.009 45 S HN 0.410 8.720 8.310 0.000 0.000 0.484 46 V N 3.272 123.250 119.914 0.106 0.000 2.313 46 V HA 0.855 4.974 4.120 -0.002 0.000 0.278 46 V C 0.858 177.003 176.094 0.086 0.000 1.017 46 V CA 0.360 62.711 62.300 0.084 0.000 0.823 46 V CB 0.019 31.895 31.823 0.089 0.000 1.010 46 V HN 1.381 9.571 8.190 0.000 0.000 0.443 47 G N 3.353 112.184 108.800 0.051 0.000 2.455 47 G HA2 0.544 4.502 3.960 -0.002 0.000 0.223 47 G HA3 0.544 4.502 3.960 -0.002 0.000 0.223 47 G C -0.271 174.636 174.900 0.011 0.000 1.226 47 G CA 0.141 45.264 45.100 0.038 0.000 0.948 47 G HN 0.938 9.228 8.290 0.000 0.000 0.478 48 G N -1.440 107.360 108.800 0.000 0.000 2.971 48 G HA2 0.499 4.458 3.960 -0.002 0.000 0.235 48 G HA3 0.499 4.458 3.960 -0.002 0.000 0.235 48 G C 0.173 175.058 174.900 -0.026 0.000 1.351 48 G CA 0.696 45.782 45.100 -0.024 0.000 1.039 48 G HN 0.354 8.644 8.290 0.000 0.000 0.563 49 D N -0.191 120.178 120.400 -0.052 0.000 2.182 49 D HA -0.083 4.556 4.640 -0.002 0.000 0.201 49 D C 2.477 178.763 176.300 -0.022 0.000 0.986 49 D CA 1.564 55.533 54.000 -0.052 0.000 0.847 49 D CB -0.460 40.285 40.800 -0.092 0.000 0.942 49 D HN 0.395 8.765 8.370 0.000 0.000 0.467 50 G N -0.036 108.748 108.800 -0.027 0.000 2.422 50 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.218 50 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.218 50 G C 1.693 176.591 174.900 -0.004 0.000 1.146 50 G CA 1.368 46.457 45.100 -0.019 0.000 0.769 50 G HN 0.238 8.528 8.290 0.000 0.000 0.547 51 T N 1.329 115.885 114.554 0.003 0.000 2.746 51 T HA -0.047 4.302 4.350 -0.002 0.000 0.267 51 T C 2.354 177.068 174.700 0.022 0.000 1.039 51 T CA 0.898 63.004 62.100 0.011 0.000 1.142 51 T CB -0.127 68.754 68.868 0.022 0.000 0.866 51 T HN 0.237 8.477 8.240 0.000 0.000 0.444 52 I N 0.710 121.307 120.570 0.045 0.000 2.315 52 I HA -0.102 4.067 4.170 -0.002 0.000 0.248 52 I C 2.121 178.279 176.117 0.069 0.000 1.117 52 I CA 1.034 62.386 61.300 0.087 0.000 1.404 52 I CB -0.322 37.773 38.000 0.159 0.000 1.071 52 I HN 0.210 8.420 8.210 0.000 0.000 0.419 53 L N -0.005 121.245 121.223 0.046 0.000 2.131 53 L HA -0.182 4.157 4.340 -0.002 0.000 0.210 53 L C 2.601 179.479 176.870 0.014 0.000 1.092 53 L CA 1.293 56.153 54.840 0.034 0.000 0.759 53 L CB -0.523 41.547 42.059 0.019 0.000 0.903 53 L HN 0.170 8.400 8.230 0.000 0.000 0.435 54 R N -0.462 120.040 120.500 0.002 0.000 2.093 54 R HA -0.037 4.301 4.340 -0.002 0.000 0.224 54 R C 2.221 178.504 176.300 -0.028 0.000 1.101 54 R CA 0.721 56.813 56.100 -0.013 0.000 0.979 54 R CB -0.141 30.149 30.300 -0.016 0.000 0.877 54 R HN 0.133 8.403 8.270 0.000 0.000 0.441 55 I N 1.191 121.743 120.570 -0.029 0.000 2.099 55 I HA -0.282 3.886 4.170 -0.002 0.000 0.239 55 I C 2.214 178.296 176.117 -0.059 0.000 1.066 55 I CA 1.672 62.937 61.300 -0.059 0.000 1.324 55 I CB -1.104 36.867 38.000 -0.049 0.000 1.037 55 I HN 0.180 8.390 8.210 0.000 0.000 0.401 56 L N 0.074 121.276 121.223 -0.036 0.000 2.127 56 L HA -0.219 4.120 4.340 -0.002 0.000 0.211 56 L C 2.580 179.428 176.870 -0.036 0.000 1.089 56 L CA 1.094 55.910 54.840 -0.040 0.000 0.757 56 L CB -0.612 41.441 42.059 -0.011 0.000 0.899 56 L HN 0.356 8.586 8.230 0.000 0.000 0.434 57 Q N 0.078 119.862 119.800 -0.026 0.000 2.364 57 Q HA -0.130 4.209 4.340 -0.002 0.000 0.207 57 Q C 1.348 177.322 176.000 -0.043 0.000 0.970 57 Q CA 0.851 56.639 55.803 -0.025 0.000 0.888 57 Q CB 0.071 28.800 28.738 -0.014 0.000 0.951 57 Q HN 0.414 8.684 8.270 0.000 0.000 0.469 58 K N 0.084 120.450 120.400 -0.057 0.000 2.387 58 K HA 0.255 4.573 4.320 -0.002 0.000 0.198 58 K C 0.227 176.775 176.600 -0.085 0.000 1.022 58 K CA 0.077 56.323 56.287 -0.069 0.000 1.128 58 K CB 0.604 33.059 32.500 -0.076 0.000 0.853 58 K HN 0.125 8.375 8.250 0.000 0.000 0.523 59 L N 0.345 121.513 121.223 -0.091 0.000 2.385 59 L HA 0.346 4.684 4.340 -0.002 0.000 0.273 59 L C 1.113 177.896 176.870 -0.146 0.000 0.990 59 L CA -0.467 54.309 54.840 -0.107 0.000 0.821 59 L CB 2.438 44.442 42.059 -0.091 0.000 1.279 59 L HN -0.174 8.056 8.230 0.000 0.000 0.412 60 K N 1.705 121.968 120.400 -0.228 0.000 2.118 60 K HA 0.280 4.598 4.320 -0.002 0.000 0.214 60 K C 0.406 176.849 176.600 -0.262 0.000 1.023 60 K CA -0.082 55.925 56.287 -0.467 0.000 0.948 60 K CB 0.368 32.441 32.500 -0.712 0.000 0.851 60 K HN 0.440 8.690 8.250 0.000 0.000 0.455 61 R N 0.788 121.195 120.500 -0.154 0.000 2.489 61 R HA 0.044 4.382 4.340 -0.002 0.000 0.287 61 R C -0.723 175.569 176.300 -0.013 0.000 1.053 61 R CA -0.057 56.058 56.100 0.025 0.000 1.036 61 R CB 0.789 31.110 30.300 0.034 0.000 0.966 61 R HN 0.286 8.556 8.270 0.000 0.000 0.432 62 C N 6.697 125.997 119.300 -0.000 0.000 2.316 62 C HA 0.428 4.886 4.460 -0.002 0.000 0.324 62 C C -2.316 172.648 174.990 -0.042 0.000 1.226 62 C CA -2.450 56.540 59.018 -0.047 0.000 1.450 62 C CB 0.542 28.229 27.740 -0.088 0.000 2.123 62 C HN 0.595 8.825 8.230 0.000 0.000 0.454 63 P HA 0.216 4.636 4.420 0.000 0.000 0.269 63 P C -2.552 174.712 177.300 -0.060 0.000 1.209 63 P CA -0.695 62.423 63.100 0.029 0.000 0.776 63 P CB 0.139 31.904 31.700 0.108 0.000 0.876 64 P HA 0.137 4.557 4.420 0.000 0.000 0.268 64 P C -0.400 176.767 177.300 -0.222 0.000 1.204 64 P CA 0.545 63.398 63.100 -0.411 0.000 0.768 64 P CB 0.456 31.576 31.700 -0.968 0.000 0.842 65 I N 3.619 124.131 120.570 -0.096 0.000 2.377 65 I HA 0.326 4.495 4.170 -0.002 0.000 0.293 65 I C 0.058 176.482 176.117 0.513 0.000 0.987 65 I CA -0.791 60.633 61.300 0.207 0.000 1.185 65 I CB 0.832 38.879 38.000 0.078 0.000 1.341 65 I HN 0.227 8.437 8.210 0.000 0.000 0.455 66 F N 5.087 125.263 119.950 0.378 0.000 2.426 66 F HA 0.688 5.213 4.527 -0.002 0.000 0.348 66 F C 0.412 176.353 175.800 0.234 0.000 1.124 66 F CA -0.484 57.604 58.000 0.147 0.000 1.008 66 F CB 1.365 40.356 39.000 -0.015 0.000 1.139 66 F HN 0.375 8.675 8.300 0.000 0.000 0.452 67 G N 7.254 116.077 108.800 0.039 0.000 2.368 67 G HA2 0.554 4.513 3.960 -0.002 0.000 0.320 67 G HA3 0.554 4.513 3.960 -0.002 0.000 0.320 67 G C -1.087 173.754 174.900 -0.098 0.000 1.158 67 G CA -0.623 44.517 45.100 0.067 0.000 0.912 67 G HN 0.668 8.958 8.290 0.000 0.000 0.456 68 I N 2.362 122.940 120.570 0.014 0.000 2.328 68 I HA 0.124 4.293 4.170 -0.002 0.000 0.287 68 I C -0.279 175.834 176.117 -0.007 0.000 1.012 68 I CA -0.945 60.361 61.300 0.010 0.000 1.195 68 I CB 1.632 39.645 38.000 0.022 0.000 1.350 68 I HN 0.303 8.513 8.210 0.000 0.000 0.464 69 N N 4.437 123.122 118.700 -0.025 0.000 2.399 69 N HA 0.129 4.867 4.740 -0.002 0.000 0.259 69 N C 0.486 175.984 175.510 -0.020 0.000 1.160 69 N CA 0.323 53.354 53.050 -0.032 0.000 0.946 69 N CB 0.749 39.204 38.487 -0.053 0.000 1.156 69 N HN 0.509 8.889 8.380 0.000 0.000 0.489 70 T N 0.610 115.159 114.554 -0.009 0.000 3.001 70 T HA 0.204 4.553 4.350 -0.002 0.000 0.251 70 T C 1.268 175.965 174.700 -0.006 0.000 1.040 70 T CA 0.202 62.302 62.100 0.000 0.000 0.985 70 T CB 0.294 69.174 68.868 0.019 0.000 1.011 70 T HN 0.512 8.752 8.240 0.000 0.000 0.509 71 G N 1.631 110.422 108.800 -0.017 0.000 3.078 71 G HA2 0.241 4.200 3.960 -0.002 0.000 0.163 71 G HA3 0.241 4.200 3.960 -0.002 0.000 0.163 71 G C 0.991 175.870 174.900 -0.036 0.000 1.894 71 G CA 0.252 45.337 45.100 -0.025 0.000 0.951 71 G HN 0.133 8.423 8.290 0.000 0.000 0.446 72 R N -2.370 118.098 120.500 -0.053 0.000 1.787 72 R HA 0.445 4.784 4.340 -0.002 0.000 0.132 72 R C 2.290 178.543 176.300 -0.079 0.000 2.093 72 R CA 0.074 56.137 56.100 -0.063 0.000 1.747 72 R CB -0.872 29.386 30.300 -0.071 0.000 1.388 72 R HN 0.210 8.480 8.270 0.000 0.000 0.484 73 V N -0.151 119.700 119.914 -0.105 0.000 2.599 73 V HA 0.206 4.325 4.120 -0.002 0.000 0.245 73 V C 0.309 176.321 176.094 -0.137 0.000 1.046 73 V CA 1.300 63.525 62.300 -0.125 0.000 1.065 73 V CB -0.073 31.655 31.823 -0.158 0.000 0.703 73 V HN 0.844 9.034 8.190 0.000 0.000 0.464 74 G N 0.391 109.106 108.800 -0.142 0.000 2.353 74 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.294 74 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.294 74 G C 0.469 175.244 174.900 -0.208 0.000 1.077 74 G CA 0.572 45.580 45.100 -0.153 0.000 1.098 74 G HN 0.444 8.734 8.290 0.000 0.000 0.511 75 L N -1.164 119.916 121.223 -0.238 0.000 2.275 75 L HA 0.095 4.434 4.340 -0.002 0.000 0.215 75 L C 2.572 179.210 176.870 -0.386 0.000 1.119 75 L CA 1.048 55.707 54.840 -0.300 0.000 0.790 75 L CB -0.110 41.764 42.059 -0.308 0.000 0.919 75 L HN 0.499 8.729 8.230 0.000 0.000 0.443 76 L N -1.338 119.668 121.223 -0.362 0.000 2.607 76 L HA 0.117 4.455 4.340 -0.002 0.000 0.228 76 L C 1.105 177.723 176.870 -0.420 0.000 1.123 76 L CA -0.204 54.345 54.840 -0.485 0.000 0.890 76 L CB -0.478 41.376 42.059 -0.342 0.000 1.103 76 L HN 0.239 8.469 8.230 0.000 0.000 0.468 77 T N -4.711 109.651 114.554 -0.319 0.000 2.881 77 T HA 0.245 4.594 4.350 -0.002 0.000 0.278 77 T C 0.744 175.190 174.700 -0.424 0.000 0.982 77 T CA -0.452 61.498 62.100 -0.250 0.000 0.989 77 T CB 1.322 70.100 68.868 -0.150 0.000 1.058 77 T HN 0.081 8.321 8.240 0.000 0.000 0.529 78 H N -0.486 118.361 119.070 -0.371 0.000 3.017 78 H HA 0.568 5.122 4.556 -0.002 0.000 0.255 78 H C 0.725 175.892 175.328 -0.268 0.000 0.990 78 H CA 0.300 56.102 56.048 -0.409 0.000 1.205 78 H CB 0.977 30.196 29.762 -0.905 0.000 1.460 78 H HN 0.864 9.144 8.280 0.000 0.000 0.478 79 A N 0.859 123.615 122.820 -0.106 0.000 2.564 79 A HA 0.476 4.795 4.320 -0.002 0.000 0.291 79 A C -0.603 177.001 177.584 0.033 0.000 1.102 79 A CA -0.257 51.796 52.037 0.026 0.000 0.660 79 A CB 1.124 20.240 19.000 0.193 0.000 1.283 79 A HN 0.151 8.301 8.150 0.000 0.000 0.430 80 S N -0.519 115.222 115.700 0.067 0.000 2.722 80 S HA 0.701 5.169 4.470 -0.002 0.000 0.292 80 S C -2.317 172.349 174.600 0.110 0.000 1.135 80 S CA -1.205 57.023 58.200 0.048 0.000 1.003 80 S CB 1.406 64.617 63.200 0.017 0.000 1.067 80 S HN 0.298 8.608 8.310 0.000 0.000 0.546 81 P HA 0.031 4.451 4.420 0.000 0.000 0.223 81 P C 0.763 178.050 177.300 -0.022 0.000 1.151 81 P CA 0.802 63.873 63.100 -0.048 0.000 0.787 81 P CB 0.066 31.544 31.700 -0.369 0.000 0.788 82 E N -0.618 119.570 120.200 -0.020 0.000 2.489 82 E HA 0.012 4.361 4.350 -0.002 0.000 0.193 82 E C 0.962 177.555 176.600 -0.011 0.000 1.057 82 E CA 0.514 56.906 56.400 -0.014 0.000 0.866 82 E CB -0.384 29.311 29.700 -0.008 0.000 0.916 82 E HN 0.557 8.917 8.360 0.000 0.000 0.500 83 N N -0.354 118.358 118.700 0.020 0.000 2.081 83 N HA -0.042 4.697 4.740 -0.002 0.000 0.230 83 N C 1.310 176.820 175.510 0.000 0.000 1.351 83 N CA -0.140 52.900 53.050 -0.016 0.000 0.840 83 N CB -0.413 38.081 38.487 0.011 0.000 1.189 83 N HN 0.038 8.418 8.380 0.000 0.000 0.503 84 F N 1.757 121.736 119.950 0.048 0.000 2.102 84 F HA 0.139 4.665 4.527 -0.002 0.000 0.298 84 F C 1.971 177.830 175.800 0.099 0.000 1.105 84 F CA 1.040 59.123 58.000 0.138 0.000 1.239 84 F CB -0.622 38.470 39.000 0.154 0.000 0.991 84 F HN -0.087 8.213 8.300 0.000 0.000 0.474 85 E N 0.816 120.365 120.200 -1.085 0.000 2.136 85 E HA -0.238 4.111 4.350 -0.002 0.000 0.208 85 E C 2.196 178.639 176.600 -0.262 0.000 1.035 85 E CA 2.638 58.602 56.400 -0.727 0.000 0.838 85 E CB -0.323 28.971 29.700 -0.678 0.000 0.748 85 E HN 0.477 8.837 8.360 0.000 0.000 0.459 86 V N 0.544 120.354 119.914 -0.173 0.000 2.446 86 V HA -0.129 3.990 4.120 -0.002 0.000 0.244 86 V C 1.990 178.064 176.094 -0.034 0.000 1.039 86 V CA 1.360 63.606 62.300 -0.088 0.000 1.045 86 V CB -0.482 31.305 31.823 -0.060 0.000 0.681 86 V HN 0.111 8.301 8.190 0.000 0.000 0.459 87 E N 0.668 120.897 120.200 0.049 0.000 2.150 87 E HA -0.115 4.234 4.350 -0.002 0.000 0.193 87 E C 2.187 178.799 176.600 0.020 0.000 0.985 87 E CA 0.836 57.321 56.400 0.141 0.000 0.814 87 E CB -0.379 29.511 29.700 0.317 0.000 0.752 87 E HN 0.429 8.789 8.360 0.000 0.000 0.466 88 L N 1.578 122.717 121.223 -0.139 0.000 2.027 88 L HA -0.141 4.197 4.340 -0.002 0.000 0.206 88 L C 2.343 178.940 176.870 -0.456 0.000 1.074 88 L CA 1.781 56.214 54.840 -0.678 0.000 0.745 88 L CB -0.565 41.235 42.059 -0.432 0.000 0.898 88 L HN 0.056 8.286 8.230 0.000 0.000 0.433 89 K N 0.298 120.557 120.400 -0.234 0.000 2.044 89 K HA -0.242 4.076 4.320 -0.002 0.000 0.210 89 K C 2.106 178.607 176.600 -0.164 0.000 1.049 89 K CA 1.863 58.052 56.287 -0.164 0.000 0.927 89 K CB -0.091 32.349 32.500 -0.100 0.000 0.713 89 K HN 0.249 8.499 8.250 0.000 0.000 0.443 90 K N -0.176 120.143 120.400 -0.134 0.000 2.152 90 K HA -0.153 4.166 4.320 -0.002 0.000 0.206 90 K C 2.119 178.642 176.600 -0.129 0.000 1.048 90 K CA 1.267 57.502 56.287 -0.087 0.000 0.933 90 K CB -0.119 32.363 32.500 -0.030 0.000 0.721 90 K HN 0.302 8.552 8.250 0.000 0.000 0.447 91 A N 0.840 123.492 122.820 -0.279 0.000 1.843 91 A HA -0.094 4.224 4.320 -0.002 0.000 0.213 91 A C 2.218 179.483 177.584 -0.531 0.000 1.202 91 A CA 1.290 53.050 52.037 -0.461 0.000 0.607 91 A CB -0.816 17.665 19.000 -0.865 0.000 0.847 91 A HN 0.170 8.320 8.150 0.000 0.000 0.445 92 V N 0.291 119.835 119.914 -0.617 0.000 2.568 92 V HA -0.248 3.870 4.120 -0.002 0.000 0.253 92 V C 2.006 178.131 176.094 0.051 0.000 1.072 92 V CA 2.833 64.963 62.300 -0.283 0.000 1.084 92 V CB -0.598 31.044 31.823 -0.301 0.000 0.676 92 V HN 0.675 8.865 8.190 0.000 0.000 0.469 93 E N -0.185 120.001 120.200 -0.024 0.000 2.046 93 E HA -0.171 4.178 4.350 -0.002 0.000 0.190 93 E C 2.288 178.937 176.600 0.081 0.000 0.982 93 E CA 1.413 57.830 56.400 0.029 0.000 0.800 93 E CB -0.099 29.598 29.700 -0.005 0.000 0.756 93 E HN 0.617 8.977 8.360 0.000 0.000 0.449 94 K N -0.091 120.353 120.400 0.073 0.000 2.155 94 K HA -0.045 4.273 4.320 -0.002 0.000 0.203 94 K C 0.302 177.038 176.600 0.226 0.000 1.052 94 K CA 0.135 56.489 56.287 0.112 0.000 0.948 94 K CB -0.041 32.505 32.500 0.076 0.000 0.728 94 K HN 0.009 8.259 8.250 0.000 0.000 0.448 95 F N 2.294 122.288 119.950 0.073 0.000 2.907 95 F HA -0.281 4.245 4.527 -0.002 0.000 0.244 95 F C -0.698 175.197 175.800 0.158 0.000 1.007 95 F CA 0.464 58.572 58.000 0.181 0.000 0.872 95 F CB -1.115 37.954 39.000 0.116 0.000 0.767 95 F HN 0.099 8.399 8.300 0.000 0.000 0.837 96 E N 0.237 120.556 120.200 0.199 0.000 2.249 96 E HA 0.581 4.929 4.350 -0.002 0.000 0.280 96 E C -0.324 176.329 176.600 0.090 0.000 1.016 96 E CA -0.743 55.739 56.400 0.137 0.000 0.830 96 E CB 2.236 32.010 29.700 0.122 0.000 1.081 96 E HN 0.091 8.451 8.360 0.000 0.000 0.395 97 V N 2.345 122.278 119.914 0.032 0.000 2.919 97 V HA 0.425 4.544 4.120 -0.002 0.000 0.316 97 V C -0.566 175.530 176.094 0.003 0.000 1.077 97 V CA -0.606 61.667 62.300 -0.044 0.000 0.977 97 V CB 2.178 33.949 31.823 -0.088 0.000 1.039 97 V HN 0.716 8.906 8.190 0.000 0.000 0.441 98 E N 1.668 121.865 120.200 -0.005 0.000 2.321 98 E HA 0.595 4.944 4.350 -0.002 0.000 0.278 98 E C -1.331 175.172 176.600 -0.162 0.000 0.902 98 E CA -0.731 55.639 56.400 -0.050 0.000 0.758 98 E CB 1.917 31.672 29.700 0.091 0.000 1.213 98 E HN 0.605 8.965 8.360 0.000 0.000 0.426 99 R N 3.152 123.444 120.500 -0.347 0.000 2.599 99 R HA 0.533 4.872 4.340 -0.002 0.000 0.295 99 R C -1.172 174.782 176.300 -0.577 0.000 0.963 99 R CA -0.665 55.248 56.100 -0.311 0.000 0.883 99 R CB 1.437 31.648 30.300 -0.148 0.000 1.171 99 R HN 0.311 8.581 8.270 0.000 0.000 0.450 100 F N 2.193 122.219 119.950 0.126 0.000 2.520 100 F HA 0.430 4.956 4.527 -0.002 0.000 0.322 100 F C -2.021 173.811 175.800 0.053 0.000 1.103 100 F CA -2.735 55.316 58.000 0.084 0.000 0.926 100 F CB 1.863 40.924 39.000 0.101 0.000 1.154 100 F HN 0.244 8.544 8.300 0.000 0.000 0.453 101 P HA 0.297 4.717 4.420 0.000 0.000 0.271 101 P C -0.897 176.457 177.300 0.089 0.000 1.218 101 P CA -0.399 62.750 63.100 0.082 0.000 0.780 101 P CB 0.723 32.433 31.700 0.017 0.000 0.901 102 R N 0.599 121.148 120.500 0.083 0.000 2.832 102 R HA 0.686 5.024 4.340 -0.002 0.000 0.271 102 R C -0.483 175.872 176.300 0.091 0.000 0.996 102 R CA -1.115 55.040 56.100 0.092 0.000 0.977 102 R CB 1.587 31.952 30.300 0.109 0.000 1.168 102 R HN 0.321 8.591 8.270 0.000 0.000 0.482 103 V N -1.527 118.452 119.914 0.110 0.000 2.919 103 V HA 0.862 4.980 4.120 -0.002 0.000 0.316 103 V C -0.434 175.734 176.094 0.123 0.000 1.077 103 V CA -0.707 61.679 62.300 0.145 0.000 0.977 103 V CB 1.944 33.911 31.823 0.241 0.000 1.039 103 V HN 0.897 9.087 8.190 0.000 0.000 0.441 104 S N 1.348 117.117 115.700 0.115 0.000 2.599 104 S HA 0.823 5.291 4.470 -0.002 0.000 0.287 104 S C -0.369 174.261 174.600 0.051 0.000 1.105 104 S CA -0.227 58.020 58.200 0.079 0.000 0.899 104 S CB 1.277 64.525 63.200 0.079 0.000 1.100 104 S HN 2.290 10.600 8.310 0.000 0.000 0.482 105 C N 1.232 120.540 119.300 0.013 0.000 2.614 105 C HA 0.827 5.286 4.460 -0.002 0.000 0.320 105 C C 1.774 176.737 174.990 -0.045 0.000 1.200 105 C CA 0.113 59.111 59.018 -0.032 0.000 1.700 105 C CB 0.930 28.625 27.740 -0.074 0.000 2.275 105 C HN 1.228 9.458 8.230 0.000 0.000 0.492 106 S N 2.397 118.059 115.700 -0.063 0.000 2.447 106 S HA -0.039 4.430 4.470 -0.002 0.000 0.233 106 S C 1.771 176.338 174.600 -0.055 0.000 1.006 106 S CA 1.182 59.355 58.200 -0.046 0.000 0.957 106 S CB -0.550 62.625 63.200 -0.042 0.000 0.773 106 S HN 1.526 9.836 8.310 0.000 0.000 0.507 107 A N 1.617 124.372 122.820 -0.108 0.000 1.969 107 A HA 0.277 4.596 4.320 -0.002 0.000 0.218 107 A C 1.552 179.112 177.584 -0.041 0.000 1.169 107 A CA 0.977 52.958 52.037 -0.093 0.000 0.635 107 A CB -0.451 18.427 19.000 -0.204 0.000 0.810 107 A HN 0.634 8.784 8.150 0.000 0.000 0.445 108 M N -0.836 118.740 119.600 -0.039 0.000 2.693 108 M HA 0.220 4.698 4.480 -0.002 0.000 0.224 108 M C -2.355 173.943 176.300 -0.003 0.000 1.149 108 M CA -1.420 53.872 55.300 -0.013 0.000 0.622 108 M CB 1.551 34.145 32.600 -0.009 0.000 1.443 108 M HN -0.048 8.242 8.290 0.000 0.000 0.431 109 P HA -0.140 4.280 4.420 0.000 0.000 0.219 109 P C 0.475 177.790 177.300 0.024 0.000 1.146 109 P CA 1.385 64.494 63.100 0.015 0.000 0.808 109 P CB 0.176 31.886 31.700 0.017 0.000 0.779 110 D N -1.116 119.291 120.400 0.011 0.000 2.349 110 D HA 0.008 4.646 4.640 -0.002 0.000 0.224 110 D C 0.489 176.786 176.300 -0.006 0.000 1.029 110 D CA 0.373 54.373 54.000 -0.001 0.000 0.879 110 D CB 0.101 40.895 40.800 -0.011 0.000 0.906 110 D HN 0.119 8.489 8.370 0.000 0.000 0.528 111 V N 0.000 119.918 119.914 0.006 0.000 2.459 111 V HA 0.467 4.586 4.120 -0.002 0.000 0.295 111 V C -0.742 175.367 176.094 0.026 0.000 1.029 111 V CA -0.799 61.505 62.300 0.007 0.000 0.874 111 V CB 1.664 33.490 31.823 0.006 0.000 0.985 111 V HN -0.143 8.047 8.190 0.000 0.000 0.438 112 L N 5.777 127.018 121.223 0.029 0.000 2.331 112 L HA 0.930 5.269 4.340 -0.002 0.000 0.275 112 L C 0.235 177.137 176.870 0.054 0.000 1.022 112 L CA -0.628 54.245 54.840 0.055 0.000 0.812 112 L CB 1.843 43.939 42.059 0.063 0.000 1.257 112 L HN 0.884 9.114 8.230 0.000 0.000 0.435 113 A N 2.372 125.235 122.820 0.072 0.000 2.343 113 A HA 0.483 4.801 4.320 -0.002 0.000 0.308 113 A C 0.148 177.781 177.584 0.082 0.000 1.092 113 A CA -0.519 51.562 52.037 0.073 0.000 0.751 113 A CB 1.519 20.567 19.000 0.081 0.000 1.203 113 A HN 0.861 9.011 8.150 0.000 0.000 0.452 114 L N 1.599 122.868 121.223 0.077 0.000 2.168 114 L HA -0.007 4.331 4.340 -0.002 0.000 0.203 114 L C 1.636 178.537 176.870 0.053 0.000 1.078 114 L CA 0.907 55.796 54.840 0.081 0.000 0.780 114 L CB -0.049 42.072 42.059 0.104 0.000 0.939 114 L HN 0.832 9.062 8.230 0.000 0.000 0.451 115 N N -0.100 118.629 118.700 0.048 0.000 2.178 115 N HA -0.025 4.714 4.740 -0.002 0.000 0.189 115 N C 0.189 175.743 175.510 0.073 0.000 1.048 115 N CA 0.969 54.042 53.050 0.038 0.000 0.855 115 N CB 0.212 38.719 38.487 0.033 0.000 1.028 115 N HN 0.379 8.759 8.380 0.000 0.000 0.441 116 E N -0.370 119.886 120.200 0.094 0.000 2.401 116 E HA 0.189 4.537 4.350 -0.002 0.000 0.280 116 E C -1.512 175.154 176.600 0.110 0.000 1.039 116 E CA -0.521 55.949 56.400 0.117 0.000 0.814 116 E CB 1.054 30.822 29.700 0.113 0.000 1.275 116 E HN -0.157 8.203 8.360 0.000 0.000 0.448 117 I N 1.152 121.787 120.570 0.108 0.000 2.354 117 I HA 0.572 4.741 4.170 -0.002 0.000 0.292 117 I C -0.098 176.063 176.117 0.074 0.000 0.989 117 I CA -0.562 60.785 61.300 0.079 0.000 1.188 117 I CB 0.859 38.890 38.000 0.053 0.000 1.342 117 I HN 0.695 8.905 8.210 0.000 0.000 0.457 118 A N 6.794 129.663 122.820 0.082 0.000 2.342 118 A HA 0.726 5.045 4.320 -0.002 0.000 0.323 118 A C -0.735 176.910 177.584 0.103 0.000 1.125 118 A CA -0.501 51.578 52.037 0.070 0.000 0.785 118 A CB 1.473 20.538 19.000 0.108 0.000 1.221 118 A HN 0.418 8.568 8.150 0.000 0.000 0.463 119 V N 4.319 124.307 119.914 0.124 0.000 2.326 119 V HA 0.420 4.539 4.120 -0.002 0.000 0.281 119 V C -0.361 175.830 176.094 0.162 0.000 1.015 119 V CA -0.051 62.372 62.300 0.205 0.000 0.823 119 V CB 0.528 32.509 31.823 0.264 0.000 1.009 119 V HN 0.758 8.948 8.190 0.000 0.000 0.436 120 L N 2.639 123.952 121.223 0.150 0.000 2.323 120 L HA 0.620 4.958 4.340 -0.002 0.000 0.265 120 L C 0.546 177.457 176.870 0.068 0.000 1.012 120 L CA -0.719 54.179 54.840 0.097 0.000 0.820 120 L CB 1.965 44.088 42.059 0.106 0.000 1.334 120 L HN 0.532 8.762 8.230 0.000 0.000 0.427 121 S N 0.267 115.989 115.700 0.036 0.000 2.552 121 S HA 0.019 4.488 4.470 -0.002 0.000 0.289 121 S C 1.132 175.740 174.600 0.014 0.000 1.304 121 S CA -0.021 58.183 58.200 0.008 0.000 1.063 121 S CB 0.502 63.702 63.200 0.000 0.000 0.848 121 S HN 0.712 9.022 8.310 0.000 0.000 0.499 122 R N 2.614 123.111 120.500 -0.005 0.000 2.148 122 R HA 0.071 4.409 4.340 -0.002 0.000 0.223 122 R C 0.014 176.316 176.300 0.004 0.000 1.088 122 R CA 0.933 57.035 56.100 0.003 0.000 0.985 122 R CB 0.057 30.348 30.300 -0.015 0.000 0.880 122 R HN 0.478 8.748 8.270 0.000 0.000 0.451 123 K N 1.851 122.249 120.400 -0.004 0.000 2.307 123 K HA 0.310 4.628 4.320 -0.002 0.000 0.263 123 K C -2.516 174.083 176.600 -0.002 0.000 0.973 123 K CA -2.165 54.120 56.287 -0.004 0.000 0.846 123 K CB 1.920 34.413 32.500 -0.012 0.000 1.100 123 K HN 0.048 8.298 8.250 0.000 0.000 0.438 124 P HA -0.070 4.350 4.420 0.000 0.000 0.267 124 P C 0.180 177.476 177.300 -0.006 0.000 1.200 124 P CA 0.388 63.490 63.100 0.004 0.000 0.772 124 P CB 0.717 32.421 31.700 0.006 0.000 0.855 125 A N 0.779 123.593 122.820 -0.010 0.000 3.383 125 A HA -0.214 4.104 4.320 -0.002 0.000 0.264 125 A C 0.174 177.739 177.584 -0.032 0.000 1.154 125 A CA 1.226 53.249 52.037 -0.022 0.000 1.179 125 A CB -2.497 16.490 19.000 -0.022 0.000 1.133 125 A HN 0.633 8.783 8.150 0.000 0.000 0.933 126 K N -0.340 120.045 120.400 -0.026 0.000 2.270 126 K HA 0.719 5.038 4.320 -0.002 0.000 0.255 126 K C 0.029 176.611 176.600 -0.030 0.000 0.936 126 K CA -0.652 55.616 56.287 -0.033 0.000 0.809 126 K CB 1.528 34.011 32.500 -0.028 0.000 1.131 126 K HN 0.451 8.701 8.250 0.000 0.000 0.427 127 M N 3.162 122.740 119.600 -0.037 0.000 2.227 127 M HA 0.422 4.901 4.480 -0.002 0.000 0.316 127 M C 0.180 176.471 176.300 -0.015 0.000 1.144 127 M CA -0.444 54.843 55.300 -0.023 0.000 1.121 127 M CB 0.573 33.158 32.600 -0.024 0.000 1.440 127 M HN 0.554 8.844 8.290 0.000 0.000 0.473 128 I N -2.175 118.393 120.570 -0.004 0.000 2.828 128 I HA 0.541 4.710 4.170 -0.002 0.000 0.302 128 I C -1.182 174.939 176.117 0.006 0.000 1.101 128 I CA -1.060 60.233 61.300 -0.010 0.000 1.031 128 I CB 2.056 40.044 38.000 -0.021 0.000 1.231 128 I HN 0.409 8.619 8.210 0.000 0.000 0.427 129 D N 3.730 124.127 120.400 -0.005 0.000 2.359 129 D HA 0.469 5.108 4.640 -0.002 0.000 0.230 129 D C -1.054 175.236 176.300 -0.016 0.000 1.118 129 D CA -0.120 53.880 54.000 0.001 0.000 0.844 129 D CB 1.561 42.361 40.800 -0.001 0.000 1.059 129 D HN 0.411 8.781 8.370 0.000 0.000 0.493 130 V N 3.285 123.187 119.914 -0.021 0.000 2.398 130 V HA 0.697 4.816 4.120 -0.002 0.000 0.286 130 V C 0.250 176.271 176.094 -0.121 0.000 1.026 130 V CA -0.873 61.387 62.300 -0.067 0.000 0.868 130 V CB 1.245 33.020 31.823 -0.081 0.000 0.982 130 V HN 0.750 8.940 8.190 0.000 0.000 0.443 131 A N 5.497 128.249 122.820 -0.112 0.000 2.292 131 A HA 0.840 5.158 4.320 -0.002 0.000 0.319 131 A C -0.990 176.484 177.584 -0.183 0.000 1.206 131 A CA -0.444 51.519 52.037 -0.122 0.000 0.835 131 A CB 1.013 19.972 19.000 -0.068 0.000 1.164 131 A HN 0.775 8.925 8.150 0.000 0.000 0.505 132 L N 2.970 124.062 121.223 -0.219 0.000 2.333 132 L HA 0.665 5.004 4.340 -0.002 0.000 0.280 132 L C -0.189 176.593 176.870 -0.147 0.000 1.004 132 L CA -0.126 54.567 54.840 -0.245 0.000 0.820 132 L CB 1.298 43.144 42.059 -0.356 0.000 1.247 132 L HN 0.801 9.031 8.230 0.000 0.000 0.416 133 R N 3.884 124.311 120.500 -0.121 0.000 2.803 133 R HA 0.859 5.197 4.340 -0.002 0.000 0.276 133 R C -1.577 174.668 176.300 -0.092 0.000 0.978 133 R CA -1.087 54.958 56.100 -0.092 0.000 0.939 133 R CB 2.397 32.656 30.300 -0.068 0.000 1.179 133 R HN 0.414 8.684 8.270 0.000 0.000 0.472 134 V N 1.772 121.640 119.914 -0.078 0.000 2.623 134 V HA 0.108 4.227 4.120 -0.002 0.000 0.304 134 V C -0.515 175.554 176.094 -0.042 0.000 1.054 134 V CA -0.828 61.432 62.300 -0.066 0.000 0.882 134 V CB 1.785 33.571 31.823 -0.061 0.000 1.002 134 V HN 0.819 9.009 8.190 0.000 0.000 0.424 135 D N 4.150 124.532 120.400 -0.029 0.000 2.733 135 D HA -0.222 4.416 4.640 -0.002 0.000 0.228 135 D C 1.393 177.680 176.300 -0.021 0.000 1.182 135 D CA 1.907 55.898 54.000 -0.016 0.000 0.620 135 D CB -0.824 39.974 40.800 -0.002 0.000 1.027 135 D HN 1.479 9.849 8.370 0.000 0.000 0.415 136 G N -1.985 106.797 108.800 -0.030 0.000 2.176 136 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.253 136 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.253 136 G C 0.350 175.230 174.900 -0.032 0.000 0.979 136 G CA 0.303 45.386 45.100 -0.028 0.000 0.641 136 G HN 0.883 9.173 8.290 0.000 0.000 0.530 137 V N 0.856 120.746 119.914 -0.039 0.000 2.481 137 V HA 0.707 4.826 4.120 -0.002 0.000 0.286 137 V C 0.502 176.561 176.094 -0.058 0.000 1.042 137 V CA -0.136 62.138 62.300 -0.044 0.000 0.928 137 V CB 1.627 33.422 31.823 -0.045 0.000 0.986 137 V HN 0.466 8.656 8.190 0.000 0.000 0.462 138 E N 4.383 124.551 120.200 -0.053 0.000 2.159 138 E HA 0.170 4.519 4.350 -0.002 0.000 0.272 138 E C 0.568 177.123 176.600 -0.076 0.000 1.138 138 E CA 0.542 56.906 56.400 -0.060 0.000 0.915 138 E CB 1.184 30.858 29.700 -0.043 0.000 1.028 138 E HN 0.717 9.077 8.360 0.000 0.000 0.423 139 V N 1.336 121.188 119.914 -0.103 0.000 2.825 139 V HA 0.277 4.396 4.120 -0.002 0.000 0.246 139 V C 0.334 176.363 176.094 -0.108 0.000 1.068 139 V CA 0.920 63.129 62.300 -0.152 0.000 1.088 139 V CB 0.087 31.769 31.823 -0.234 0.000 0.733 139 V HN 0.604 8.794 8.190 0.000 0.000 0.468 140 D N -0.939 119.425 120.400 -0.060 0.000 2.683 140 D HA 0.469 5.107 4.640 -0.002 0.000 0.246 140 D C -1.282 174.998 176.300 -0.032 0.000 1.238 140 D CA -0.462 53.542 54.000 0.007 0.000 0.759 140 D CB 2.459 43.336 40.800 0.128 0.000 1.349 140 D HN 0.330 8.700 8.370 0.000 0.000 0.426 141 R N 1.944 122.444 120.500 0.000 0.000 2.564 141 R HA 0.806 5.145 4.340 -0.002 0.000 0.284 141 R C -1.558 174.756 176.300 0.023 0.000 1.031 141 R CA -0.697 55.392 56.100 -0.017 0.000 0.904 141 R CB 1.146 31.438 30.300 -0.014 0.000 1.199 141 R HN 0.536 8.806 8.270 0.000 0.000 0.443 142 I N 2.912 123.494 120.570 0.020 0.000 2.722 142 I HA 0.394 4.562 4.170 -0.002 0.000 0.292 142 I C -1.063 175.090 176.117 0.060 0.000 1.267 142 I CA -0.856 60.480 61.300 0.059 0.000 1.036 142 I CB 2.032 40.094 38.000 0.104 0.000 1.281 142 I HN 0.658 8.868 8.210 0.000 0.000 0.423 143 R N 5.656 126.205 120.500 0.082 0.000 2.340 143 R HA 0.628 4.967 4.340 -0.002 0.000 0.300 143 R C -0.880 175.479 176.300 0.098 0.000 1.069 143 R CA -0.186 55.974 56.100 0.099 0.000 0.984 143 R CB 0.853 31.253 30.300 0.166 0.000 1.003 143 R HN 0.736 9.006 8.270 0.000 0.000 0.459 144 C N -0.627 118.709 119.300 0.060 0.000 3.275 144 C HA 0.323 4.781 4.460 -0.002 0.000 0.340 144 C C 0.421 175.414 174.990 0.005 0.000 1.366 144 C CA -0.968 58.064 59.018 0.022 0.000 1.227 144 C CB 1.292 29.041 27.740 0.015 0.000 1.512 144 C HN 0.694 8.924 8.230 0.000 0.000 0.461 145 D N 0.534 120.921 120.400 -0.022 0.000 2.183 145 D HA 0.402 5.041 4.640 -0.002 0.000 0.203 145 D C 1.029 177.328 176.300 -0.001 0.000 0.969 145 D CA 2.419 56.411 54.000 -0.014 0.000 0.842 145 D CB 0.155 40.945 40.800 -0.017 0.000 0.957 145 D HN 1.181 9.551 8.370 0.000 0.000 0.484 146 G N -1.426 107.365 108.800 -0.015 0.000 2.488 146 G HA2 0.437 4.396 3.960 -0.002 0.000 0.301 146 G HA3 0.437 4.396 3.960 -0.002 0.000 0.301 146 G C -1.984 172.928 174.900 0.020 0.000 1.339 146 G CA -0.868 44.238 45.100 0.011 0.000 0.803 146 G HN -0.004 8.286 8.290 0.000 0.000 0.482 147 F N 0.174 120.057 119.950 -0.111 0.000 2.588 147 F HA 0.695 5.220 4.527 -0.002 0.000 0.314 147 F C -1.082 174.647 175.800 -0.118 0.000 1.134 147 F CA -1.034 56.900 58.000 -0.111 0.000 0.961 147 F CB 1.813 40.784 39.000 -0.049 0.000 1.239 147 F HN 0.320 8.620 8.300 0.000 0.000 0.448 148 I N 6.379 126.678 120.570 -0.453 0.000 2.404 148 I HA 0.408 4.576 4.170 -0.002 0.000 0.293 148 I C -0.796 175.271 176.117 -0.083 0.000 0.992 148 I CA -0.922 60.235 61.300 -0.240 0.000 1.149 148 I CB 1.579 39.374 38.000 -0.341 0.000 1.315 148 I HN 0.238 8.448 8.210 0.000 0.000 0.446 149 V N 5.908 125.862 119.914 0.067 0.000 2.275 149 V HA 0.609 4.728 4.120 -0.002 0.000 0.272 149 V C 0.456 176.666 176.094 0.193 0.000 1.028 149 V CA -0.472 61.903 62.300 0.126 0.000 0.810 149 V CB 1.056 32.917 31.823 0.064 0.000 1.043 149 V HN 0.872 9.062 8.190 0.000 0.000 0.453 150 A N 3.624 126.574 122.820 0.216 0.000 2.330 150 A HA 0.928 5.247 4.320 -0.002 0.000 0.329 150 A C 0.434 178.150 177.584 0.220 0.000 1.135 150 A CA -0.269 51.880 52.037 0.187 0.000 0.817 150 A CB 1.463 20.524 19.000 0.102 0.000 1.269 150 A HN 0.751 8.901 8.150 0.000 0.000 0.469 151 T N -1.166 113.445 114.554 0.095 0.000 2.849 151 T HA 0.285 4.633 4.350 -0.002 0.000 0.276 151 T C 1.261 175.951 174.700 -0.016 0.000 0.971 151 T CA 0.175 62.261 62.100 -0.024 0.000 0.949 151 T CB 0.765 69.599 68.868 -0.056 0.000 1.093 151 T HN 0.758 8.998 8.240 0.000 0.000 0.545 152 Q N 0.416 120.187 119.800 -0.049 0.000 2.135 152 Q HA -0.160 4.179 4.340 -0.002 0.000 0.204 152 Q C 1.880 177.816 176.000 -0.106 0.000 0.981 152 Q CA 1.535 57.307 55.803 -0.052 0.000 0.856 152 Q CB -0.582 28.130 28.738 -0.044 0.000 0.902 152 Q HN 0.734 9.004 8.270 0.000 0.000 0.425 153 I N 1.299 121.780 120.570 -0.149 0.000 2.394 153 I HA -0.089 4.079 4.170 -0.002 0.000 0.251 153 I C 2.298 178.330 176.117 -0.142 0.000 1.136 153 I CA 1.413 62.576 61.300 -0.228 0.000 1.425 153 I CB -1.389 36.453 38.000 -0.264 0.000 1.079 153 I HN 0.357 8.567 8.210 0.000 0.000 0.425 154 G N 0.406 109.169 108.800 -0.062 0.000 2.813 154 G HA2 -0.115 3.843 3.960 -0.002 0.000 0.209 154 G HA3 -0.115 3.843 3.960 -0.002 0.000 0.209 154 G C 1.677 176.588 174.900 0.017 0.000 1.150 154 G CA 0.741 45.834 45.100 -0.011 0.000 0.785 154 G HN 0.504 8.794 8.290 0.000 0.000 0.535 155 S N 0.937 116.641 115.700 0.007 0.000 2.440 155 S HA -0.159 4.310 4.470 -0.002 0.000 0.238 155 S C 2.121 176.788 174.600 0.112 0.000 1.010 155 S CA 1.909 60.141 58.200 0.054 0.000 0.972 155 S CB -0.690 62.530 63.200 0.034 0.000 0.774 155 S HN 0.386 8.696 8.310 0.000 0.000 0.501 156 T N -2.365 112.192 114.554 0.004 0.000 3.107 156 T HA 0.511 4.859 4.350 -0.002 0.000 0.249 156 T C 1.064 175.668 174.700 -0.160 0.000 1.096 156 T CA 0.131 62.170 62.100 -0.103 0.000 1.012 156 T CB 0.205 68.926 68.868 -0.246 0.000 0.977 156 T HN 0.457 8.697 8.240 0.000 0.000 0.527 157 G N -0.096 108.699 108.800 -0.009 0.000 3.392 157 G HA2 0.291 4.249 3.960 -0.002 0.000 0.188 157 G HA3 0.291 4.249 3.960 -0.002 0.000 0.188 157 G C 0.395 175.393 174.900 0.164 0.000 1.485 157 G CA -0.441 44.669 45.100 0.016 0.000 0.943 157 G HN 0.067 8.357 8.290 0.000 0.000 0.627 158 Y N 1.692 122.004 120.300 0.021 0.000 2.207 158 Y HA -0.125 4.423 4.550 -0.002 0.000 0.287 158 Y C 3.039 178.963 175.900 0.038 0.000 1.156 158 Y CA 1.265 59.381 58.100 0.026 0.000 1.182 158 Y CB -0.785 37.678 38.460 0.005 0.000 0.979 158 Y HN 0.273 8.553 8.280 0.000 0.000 0.521 159 A N -0.571 122.360 122.820 0.183 0.000 1.902 159 A HA -0.246 4.073 4.320 -0.002 0.000 0.217 159 A C 2.253 179.909 177.584 0.120 0.000 1.181 159 A CA 1.507 53.583 52.037 0.066 0.000 0.623 159 A CB -1.530 17.501 19.000 0.051 0.000 0.818 159 A HN 0.484 8.634 8.150 0.000 0.000 0.443 160 F N 1.529 121.493 119.950 0.024 0.000 2.095 160 F HA -0.207 4.319 4.527 -0.002 0.000 0.298 160 F C 2.566 178.387 175.800 0.034 0.000 1.104 160 F CA 2.070 60.079 58.000 0.016 0.000 1.232 160 F CB -0.311 38.687 39.000 -0.002 0.000 0.987 160 F HN 0.210 8.510 8.300 0.000 0.000 0.475 161 S N 0.241 116.152 115.700 0.352 0.000 2.399 161 S HA -0.138 4.330 4.470 -0.002 0.000 0.231 161 S C 2.118 176.781 174.600 0.105 0.000 1.022 161 S CA 0.920 59.261 58.200 0.234 0.000 0.983 161 S CB -0.762 62.596 63.200 0.264 0.000 0.803 161 S HN 0.508 8.818 8.310 0.000 0.000 0.480 162 A N 0.376 123.233 122.820 0.062 0.000 2.209 162 A HA 0.441 4.760 4.320 -0.002 0.000 0.212 162 A C 1.600 179.193 177.584 0.015 0.000 1.158 162 A CA 0.937 52.950 52.037 -0.039 0.000 0.742 162 A CB -0.639 18.255 19.000 -0.175 0.000 0.790 162 A HN 0.927 9.077 8.150 0.000 0.000 0.472 163 G N -2.351 106.448 108.800 -0.003 0.000 2.143 163 G HA2 0.080 4.039 3.960 -0.002 0.000 0.175 163 G HA3 0.080 4.039 3.960 -0.002 0.000 0.175 163 G C 0.564 175.436 174.900 -0.046 0.000 1.004 163 G CA 0.038 45.136 45.100 -0.004 0.000 0.671 163 G HN 1.231 9.521 8.290 0.000 0.000 0.512 164 G N 0.089 108.848 108.800 -0.069 0.000 2.562 164 G HA2 0.699 4.657 3.960 -0.002 0.000 0.275 164 G HA3 0.699 4.657 3.960 -0.002 0.000 0.275 164 G C -1.510 173.336 174.900 -0.090 0.000 1.196 164 G CA -0.532 44.541 45.100 -0.045 0.000 0.908 164 G HN 0.270 8.560 8.290 0.000 0.000 0.524 165 P HA 0.276 4.696 4.420 0.000 0.000 0.279 165 P C -0.484 176.832 177.300 0.027 0.000 1.252 165 P CA -0.454 62.631 63.100 -0.025 0.000 0.811 165 P CB 1.534 33.233 31.700 -0.002 0.000 1.035 166 V N 2.571 122.513 119.914 0.047 0.000 2.427 166 V HA 0.101 4.220 4.120 -0.002 0.000 0.268 166 V C 0.479 176.588 176.094 0.025 0.000 1.046 166 V CA -0.200 62.136 62.300 0.061 0.000 0.970 166 V CB 0.937 32.798 31.823 0.063 0.000 1.001 166 V HN 0.240 8.430 8.190 0.000 0.000 0.476 167 V N 5.493 125.411 119.914 0.006 0.000 2.435 167 V HA 0.335 4.453 4.120 -0.002 0.000 0.290 167 V C 0.318 176.396 176.094 -0.028 0.000 1.030 167 V CA -0.933 61.376 62.300 0.015 0.000 0.881 167 V CB 1.665 33.502 31.823 0.023 0.000 0.983 167 V HN 1.046 9.236 8.190 0.000 0.000 0.445 168 E N 7.042 127.260 120.200 0.032 0.000 2.418 168 E HA 0.102 4.450 4.350 -0.002 0.000 0.261 168 E C -1.860 174.723 176.600 -0.028 0.000 1.070 168 E CA -1.058 55.367 56.400 0.040 0.000 0.931 168 E CB 0.440 30.341 29.700 0.335 0.000 0.954 168 E HN 0.417 8.777 8.360 0.000 0.000 0.439 169 P HA -0.142 4.278 4.420 0.000 0.000 0.226 169 P C 0.033 177.204 177.300 -0.214 0.000 1.153 169 P CA 1.257 64.124 63.100 -0.389 0.000 0.777 169 P CB -0.079 31.175 31.700 -0.743 0.000 0.794 170 Y N -1.132 119.285 120.300 0.196 0.000 2.468 170 Y HA 0.277 4.826 4.550 -0.003 0.000 0.268 170 Y C 0.930 176.894 175.900 0.106 0.000 1.177 170 Y CA -0.686 57.523 58.100 0.182 0.000 1.265 170 Y CB 0.140 38.678 38.460 0.130 0.000 1.103 170 Y HN -0.146 8.134 8.280 0.000 0.000 0.522 171 L N 1.516 122.848 121.223 0.182 0.000 2.277 171 L HA 0.325 4.664 4.340 -0.002 0.000 0.284 171 L C -0.221 176.693 176.870 0.075 0.000 1.028 171 L CA -0.693 54.219 54.840 0.121 0.000 0.835 171 L CB 0.869 42.994 42.059 0.110 0.000 1.215 171 L HN 0.026 8.256 8.230 0.000 0.000 0.425 172 E N 4.934 125.170 120.200 0.060 0.000 2.180 172 E HA 0.487 4.836 4.350 -0.002 0.000 0.283 172 E C -1.019 175.566 176.600 -0.025 0.000 1.061 172 E CA -0.274 56.134 56.400 0.012 0.000 0.861 172 E CB 0.431 30.138 29.700 0.012 0.000 1.056 172 E HN 0.830 9.190 8.360 0.000 0.000 0.407 173 C N 1.860 121.114 119.300 -0.078 0.000 3.275 173 C HA 0.530 4.989 4.460 -0.002 0.000 0.340 173 C C -1.093 173.810 174.990 -0.145 0.000 1.366 173 C CA -1.299 57.680 59.018 -0.066 0.000 1.227 173 C CB 0.259 28.023 27.740 0.041 0.000 1.512 173 C HN 0.636 8.866 8.230 0.000 0.000 0.461 174 F N 1.040 121.031 119.950 0.069 0.000 2.422 174 F HA 0.736 5.262 4.527 -0.003 0.000 0.333 174 F C 0.197 176.045 175.800 0.081 0.000 1.095 174 F CA -0.575 57.469 58.000 0.074 0.000 1.038 174 F CB 1.384 40.434 39.000 0.084 0.000 1.156 174 F HN 0.359 8.659 8.300 0.000 0.000 0.483 175 I N 4.189 124.928 120.570 0.282 0.000 2.354 175 I HA 0.305 4.474 4.170 -0.002 0.000 0.292 175 I C -0.794 175.423 176.117 0.166 0.000 0.989 175 I CA -0.248 61.162 61.300 0.183 0.000 1.188 175 I CB 1.181 39.243 38.000 0.103 0.000 1.342 175 I HN 0.301 8.511 8.210 0.000 0.000 0.457 176 L N 7.597 128.925 121.223 0.174 0.000 2.319 176 L HA 0.694 5.033 4.340 -0.002 0.000 0.281 176 L C -0.603 176.242 176.870 -0.041 0.000 1.005 176 L CA -0.362 54.592 54.840 0.191 0.000 0.828 176 L CB 1.411 43.734 42.059 0.439 0.000 1.227 176 L HN 0.543 8.773 8.230 0.000 0.000 0.415 177 I N 5.348 125.564 120.570 -0.590 0.000 2.680 177 I HA 0.497 4.666 4.170 -0.002 0.000 0.291 177 I C -2.591 172.797 176.117 -1.216 0.000 1.244 177 I CA -1.755 59.154 61.300 -0.650 0.000 1.042 177 I CB 3.583 41.416 38.000 -0.279 0.000 1.277 177 I HN 0.321 8.531 8.210 0.000 0.000 0.423 178 P HA 0.343 4.763 4.420 0.000 0.000 0.277 178 P C -0.982 175.961 177.300 -0.595 0.000 1.240 178 P CA -0.156 62.531 63.100 -0.688 0.000 0.798 178 P CB 1.173 32.660 31.700 -0.356 0.000 0.979 179 I N 1.131 121.454 120.570 -0.410 0.000 2.321 179 I HA 0.365 4.534 4.170 -0.002 0.000 0.291 179 I C 0.643 176.615 176.117 -0.242 0.000 0.998 179 I CA -0.581 60.531 61.300 -0.314 0.000 1.227 179 I CB 0.571 38.422 38.000 -0.249 0.000 1.368 179 I HN 0.507 8.717 8.210 0.000 0.000 0.466 180 A N 6.499 129.170 122.820 -0.249 0.000 2.466 180 A HA -0.121 4.198 4.320 -0.002 0.000 0.295 180 A C -2.261 175.227 177.584 -0.159 0.000 1.465 180 A CA -0.523 51.415 52.037 -0.165 0.000 0.744 180 A CB -1.850 17.107 19.000 -0.071 0.000 1.098 180 A HN 0.499 8.649 8.150 0.000 0.000 0.402 181 P HA 0.257 4.677 4.420 0.000 0.000 0.267 181 P C -0.353 176.942 177.300 -0.009 0.000 1.209 181 P CA 0.171 63.125 63.100 -0.242 0.000 0.763 181 P CB 0.331 31.660 31.700 -0.617 0.000 0.816 182 F N 5.691 125.605 119.950 -0.060 0.000 2.425 182 F HA 0.405 4.931 4.527 -0.002 0.000 0.354 182 F C 0.337 176.171 175.800 0.057 0.000 1.162 182 F CA -0.409 57.595 58.000 0.006 0.000 1.250 182 F CB -0.168 38.836 39.000 0.007 0.000 1.579 182 F HN 0.262 8.562 8.300 0.000 0.000 0.589 183 R N 3.433 123.851 120.500 -0.137 0.000 2.634 183 R HA 0.115 4.454 4.340 -0.002 0.000 0.263 183 R C -0.264 176.096 176.300 0.100 0.000 1.060 183 R CA -0.583 55.470 56.100 -0.078 0.000 0.898 183 R CB 0.780 31.110 30.300 0.049 0.000 1.253 183 R HN 0.402 8.672 8.270 0.000 0.000 0.461 184 F N 1.186 121.107 119.950 -0.048 0.000 2.134 184 F HA 0.206 4.732 4.527 -0.003 0.000 0.299 184 F C 0.751 176.582 175.800 0.051 0.000 1.097 184 F CA 1.878 59.878 58.000 -0.001 0.000 1.264 184 F CB 0.150 39.129 39.000 -0.034 0.000 1.001 184 F HN 0.500 8.800 8.300 0.000 0.000 0.479 185 G N -0.431 108.384 108.800 0.025 0.000 2.495 185 G HA2 0.479 4.438 3.960 -0.002 0.000 0.318 185 G HA3 0.479 4.438 3.960 -0.002 0.000 0.318 185 G C -1.840 173.129 174.900 0.116 0.000 1.257 185 G CA -0.353 44.691 45.100 -0.094 0.000 0.962 185 G HN 0.361 8.651 8.290 0.000 0.000 0.483 186 W N 0.972 122.211 121.300 -0.102 0.000 3.248 186 W HA 0.714 5.374 4.660 0.000 0.000 0.311 186 W C -1.769 174.661 176.519 -0.148 0.000 1.258 186 W CA -1.169 56.126 57.345 -0.083 0.000 1.191 186 W CB 1.256 30.680 29.460 -0.060 0.000 1.389 186 W HN 0.299 8.479 8.180 0.000 0.000 0.561 187 K N 1.767 122.099 120.400 -0.113 0.000 2.477 187 K HA 0.530 4.848 4.320 -0.002 0.000 0.255 187 K C -2.660 173.740 176.600 -0.333 0.000 0.952 187 K CA -2.034 54.033 56.287 -0.367 0.000 0.826 187 K CB 2.341 34.627 32.500 -0.355 0.000 1.331 187 K HN 0.111 8.361 8.250 0.000 0.000 0.437 188 P HA 0.216 4.636 4.420 0.000 0.000 0.271 188 P C -1.051 176.050 177.300 -0.332 0.000 1.216 188 P CA 0.024 63.012 63.100 -0.186 0.000 0.776 188 P CB 0.186 31.865 31.700 -0.035 0.000 0.881 189 Y N 0.093 120.470 120.300 0.129 0.000 2.352 189 Y HA 0.461 5.009 4.550 -0.002 0.000 0.339 189 Y C 0.140 176.107 175.900 0.112 0.000 0.992 189 Y CA -1.201 56.966 58.100 0.112 0.000 1.100 189 Y CB 1.676 40.212 38.460 0.127 0.000 1.192 189 Y HN -0.006 8.274 8.280 0.000 0.000 0.458 190 V N 5.114 125.176 119.914 0.246 0.000 2.357 190 V HA 0.560 4.678 4.120 -0.002 0.000 0.284 190 V C -0.302 175.904 176.094 0.188 0.000 1.018 190 V CA -0.716 61.698 62.300 0.191 0.000 0.841 190 V CB 1.069 32.970 31.823 0.130 0.000 0.991 190 V HN 0.622 8.812 8.190 0.000 0.000 0.437 191 V N 1.903 121.946 119.914 0.214 0.000 3.074 191 V HA 0.760 4.878 4.120 -0.002 0.000 0.314 191 V C 0.174 176.391 176.094 0.205 0.000 1.117 191 V CA -0.777 61.637 62.300 0.190 0.000 1.014 191 V CB 2.083 34.012 31.823 0.177 0.000 1.057 191 V HN 0.755 8.945 8.190 0.000 0.000 0.438 192 S N 2.272 118.066 115.700 0.157 0.000 2.552 192 S HA 0.091 4.560 4.470 -0.002 0.000 0.289 192 S C 0.815 175.530 174.600 0.192 0.000 1.304 192 S CA 0.185 58.461 58.200 0.126 0.000 1.063 192 S CB -0.002 63.254 63.200 0.094 0.000 0.848 192 S HN 0.959 9.269 8.310 0.000 0.000 0.499 193 M N 3.352 122.973 119.600 0.035 0.000 2.659 193 M HA 0.039 4.517 4.480 -0.002 0.000 0.243 193 M C 0.817 177.162 176.300 0.075 0.000 1.111 193 M CA 0.653 55.869 55.300 -0.139 0.000 1.070 193 M CB -0.080 32.240 32.600 -0.465 0.000 1.525 193 M HN 0.659 8.949 8.290 0.000 0.000 0.517 194 E N 0.645 120.904 120.200 0.099 0.000 2.427 194 E HA 0.035 4.383 4.350 -0.002 0.000 0.196 194 E C 0.184 176.865 176.600 0.135 0.000 1.028 194 E CA 0.393 56.851 56.400 0.097 0.000 0.864 194 E CB -0.022 29.713 29.700 0.059 0.000 0.813 194 E HN 0.539 8.899 8.360 0.000 0.000 0.514 195 R N 0.949 121.569 120.500 0.200 0.000 2.528 195 R HA 0.308 4.646 4.340 -0.002 0.000 0.271 195 R C 0.463 176.847 176.300 0.141 0.000 1.056 195 R CA -0.451 55.737 56.100 0.145 0.000 1.117 195 R CB 1.159 31.534 30.300 0.125 0.000 1.085 195 R HN -0.159 8.111 8.270 0.000 0.000 0.530 196 K N 2.618 123.046 120.400 0.047 0.000 2.227 196 K HA 0.222 4.541 4.320 -0.002 0.000 0.280 196 K C -0.580 175.970 176.600 -0.084 0.000 1.041 196 K CA -0.494 55.791 56.287 -0.004 0.000 0.905 196 K CB 0.645 33.145 32.500 0.000 0.000 1.068 196 K HN 0.347 8.597 8.250 0.000 0.000 0.470 197 I N 3.780 124.246 120.570 -0.174 0.000 2.359 197 I HA 0.267 4.435 4.170 -0.002 0.000 0.294 197 I C -0.136 175.893 176.117 -0.146 0.000 0.987 197 I CA -0.405 60.761 61.300 -0.224 0.000 1.225 197 I CB 1.298 39.045 38.000 -0.422 0.000 1.366 197 I HN 0.675 8.885 8.210 0.000 0.000 0.466 198 E N 4.965 125.093 120.200 -0.119 0.000 2.191 198 E HA 0.567 4.916 4.350 -0.002 0.000 0.263 198 E C -1.246 175.296 176.600 -0.097 0.000 0.881 198 E CA -0.589 55.757 56.400 -0.091 0.000 0.757 198 E CB 2.825 32.487 29.700 -0.064 0.000 1.147 198 E HN 0.292 8.652 8.360 0.000 0.000 0.414 199 V N 4.595 124.462 119.914 -0.078 0.000 2.495 199 V HA 0.480 4.599 4.120 -0.002 0.000 0.298 199 V C -0.462 175.660 176.094 0.048 0.000 1.031 199 V CA -0.721 61.545 62.300 -0.056 0.000 0.871 199 V CB 1.375 33.173 31.823 -0.041 0.000 0.988 199 V HN 0.538 8.728 8.190 0.000 0.000 0.432 200 I N 3.712 124.308 120.570 0.043 0.000 2.498 200 I HA 0.896 5.065 4.170 -0.002 0.000 0.290 200 I C 0.014 176.166 176.117 0.059 0.000 1.032 200 I CA -0.208 61.147 61.300 0.092 0.000 1.073 200 I CB 2.041 40.057 38.000 0.027 0.000 1.251 200 I HN 0.797 9.007 8.210 0.000 0.000 0.426 201 A N 4.401 127.244 122.820 0.038 0.000 2.594 201 A HA 0.802 5.120 4.320 -0.002 0.000 0.296 201 A C -1.458 175.952 177.584 -0.289 0.000 1.056 201 A CA -0.759 51.218 52.037 -0.100 0.000 0.693 201 A CB 1.536 20.503 19.000 -0.055 0.000 1.278 201 A HN 0.462 8.612 8.150 0.000 0.000 0.408 202 E N 0.917 120.978 120.200 -0.232 0.000 2.235 202 E HA 0.520 4.868 4.350 -0.002 0.000 0.265 202 E C -0.749 175.707 176.600 -0.240 0.000 0.940 202 E CA -0.746 55.508 56.400 -0.244 0.000 0.819 202 E CB 1.264 30.884 29.700 -0.133 0.000 1.206 202 E HN 0.623 8.983 8.360 0.000 0.000 0.409 203 K N -0.574 119.693 120.400 -0.222 0.000 3.148 203 K HA -0.179 4.139 4.320 -0.002 0.000 0.267 203 K C -0.572 175.930 176.600 -0.163 0.000 0.996 203 K CA 0.731 56.924 56.287 -0.156 0.000 0.737 203 K CB -1.463 30.979 32.500 -0.097 0.000 1.308 203 K HN 0.546 8.796 8.250 0.000 0.000 0.470 204 A N 0.658 123.319 122.820 -0.264 0.000 2.430 204 A HA 0.901 5.220 4.320 -0.002 0.000 0.300 204 A C -0.102 177.458 177.584 -0.041 0.000 1.124 204 A CA -0.965 50.945 52.037 -0.211 0.000 0.766 204 A CB 1.068 19.796 19.000 -0.452 0.000 1.328 204 A HN 0.393 8.543 8.150 0.000 0.000 0.424 205 I N -1.872 118.768 120.570 0.117 0.000 2.957 205 I HA 0.879 5.047 4.170 -0.002 0.000 0.310 205 I C -1.108 175.207 176.117 0.329 0.000 1.063 205 I CA -1.179 60.253 61.300 0.220 0.000 1.033 205 I CB 2.108 40.184 38.000 0.127 0.000 1.230 205 I HN 0.270 8.480 8.210 0.000 0.000 0.447 206 V N 3.925 123.993 119.914 0.257 0.000 2.604 206 V HA 0.610 4.729 4.120 -0.002 0.000 0.305 206 V C -0.283 175.862 176.094 0.085 0.000 1.043 206 V CA -0.630 61.747 62.300 0.128 0.000 0.888 206 V CB 1.762 33.551 31.823 -0.057 0.000 0.995 206 V HN 0.606 8.796 8.190 0.000 0.000 0.429 207 V N 2.668 122.631 119.914 0.082 0.000 2.638 207 V HA 0.847 4.965 4.120 -0.002 0.000 0.306 207 V C 0.078 176.214 176.094 0.070 0.000 1.052 207 V CA -0.659 61.688 62.300 0.079 0.000 0.885 207 V CB 1.919 33.805 31.823 0.106 0.000 0.999 207 V HN 1.034 9.224 8.190 0.000 0.000 0.424 208 A N 2.304 125.157 122.820 0.054 0.000 2.287 208 A HA 0.694 5.013 4.320 -0.002 0.000 0.317 208 A C 0.225 177.840 177.584 0.052 0.000 1.220 208 A CA -0.330 51.739 52.037 0.053 0.000 0.835 208 A CB 0.228 19.252 19.000 0.039 0.000 1.180 208 A HN 0.945 9.095 8.150 0.000 0.000 0.500 209 D N 1.752 122.189 120.400 0.063 0.000 2.882 209 D HA -0.223 4.416 4.640 -0.002 0.000 0.229 209 D C 1.229 177.549 176.300 0.033 0.000 1.167 209 D CA 2.804 56.834 54.000 0.050 0.000 0.759 209 D CB -1.257 39.566 40.800 0.039 0.000 1.088 209 D HN 1.892 10.262 8.370 0.000 0.000 0.425 210 G N -1.389 107.437 108.800 0.042 0.000 2.184 210 G HA2 -0.416 3.543 3.960 -0.002 0.000 0.264 210 G HA3 -0.416 3.543 3.960 -0.002 0.000 0.264 210 G C 1.006 175.911 174.900 0.009 0.000 0.975 210 G CA 1.077 46.184 45.100 0.013 0.000 0.642 210 G HN 0.407 8.697 8.290 0.000 0.000 0.536 211 Q N -0.455 119.355 119.800 0.017 0.000 2.377 211 Q HA 0.268 4.607 4.340 -0.002 0.000 0.193 211 Q C 1.010 177.019 176.000 0.015 0.000 0.986 211 Q CA 0.760 56.569 55.803 0.010 0.000 0.851 211 Q CB -0.076 28.666 28.738 0.007 0.000 0.986 211 Q HN 0.359 8.629 8.270 0.000 0.000 0.559 212 K N 1.924 122.336 120.400 0.019 0.000 2.130 212 K HA 0.478 4.797 4.320 -0.002 0.000 0.268 212 K C -0.157 176.461 176.600 0.030 0.000 0.983 212 K CA -0.129 56.170 56.287 0.020 0.000 0.893 212 K CB 1.601 34.110 32.500 0.015 0.000 1.066 212 K HN 0.319 8.569 8.250 0.000 0.000 0.450 213 S N -0.431 115.289 115.700 0.034 0.000 2.564 213 S HA 0.760 5.228 4.470 -0.002 0.000 0.274 213 S C -0.549 174.081 174.600 0.051 0.000 1.124 213 S CA -0.840 57.388 58.200 0.048 0.000 0.869 213 S CB 1.452 64.687 63.200 0.058 0.000 1.105 213 S HN 0.326 8.636 8.310 0.000 0.000 0.472 214 V N -1.478 118.478 119.914 0.070 0.000 3.049 214 V HA 0.657 4.776 4.120 -0.002 0.000 0.309 214 V C -1.457 174.715 176.094 0.131 0.000 1.148 214 V CA -1.061 61.287 62.300 0.080 0.000 0.990 214 V CB 1.678 33.541 31.823 0.067 0.000 1.039 214 V HN 0.866 9.056 8.190 0.000 0.000 0.430 215 D N 3.109 123.578 120.400 0.115 0.000 2.382 215 D HA 0.559 5.197 4.640 -0.002 0.000 0.245 215 D C -0.463 175.966 176.300 0.216 0.000 1.120 215 D CA 0.704 54.782 54.000 0.130 0.000 0.890 215 D CB 1.269 42.106 40.800 0.061 0.000 1.201 215 D HN 0.774 9.144 8.370 0.000 0.000 0.433 216 F N -0.881 119.076 119.950 0.010 0.000 2.645 216 F HA 0.584 5.110 4.527 -0.003 0.000 0.310 216 F C -1.702 174.100 175.800 0.004 0.000 1.102 216 F CA -1.154 56.850 58.000 0.007 0.000 0.952 216 F CB 1.647 40.652 39.000 0.008 0.000 1.326 216 F HN 0.008 8.308 8.300 0.000 0.000 0.456 217 D N 1.562 121.873 120.400 -0.148 0.000 2.863 217 D HA 0.657 5.295 4.640 -0.002 0.000 0.245 217 D C 0.089 176.383 176.300 -0.011 0.000 1.211 217 D CA 0.372 54.219 54.000 -0.254 0.000 0.888 217 D CB 1.846 42.570 40.800 -0.127 0.000 1.483 217 D HN 1.145 9.515 8.370 0.000 0.000 0.533 218 G N 1.631 110.419 108.800 -0.020 0.000 2.416 218 G HA2 -0.137 3.821 3.960 -0.002 0.000 0.203 218 G HA3 -0.137 3.821 3.960 -0.002 0.000 0.203 218 G C -0.854 174.210 174.900 0.274 0.000 1.227 218 G CA -0.898 44.268 45.100 0.111 0.000 1.041 218 G HN 0.618 8.908 8.290 0.000 0.000 0.546 219 E N 0.283 120.590 120.200 0.177 0.000 2.313 219 E HA 0.560 4.909 4.350 -0.002 0.000 0.276 219 E C 0.519 177.159 176.600 0.068 0.000 1.031 219 E CA -0.445 56.028 56.400 0.122 0.000 0.857 219 E CB 0.493 30.222 29.700 0.048 0.000 1.040 219 E HN 0.848 9.208 8.360 0.000 0.000 0.408 220 I N 0.765 121.313 120.570 -0.037 0.000 2.689 220 I HA 0.563 4.731 4.170 -0.002 0.000 0.299 220 I C -0.547 175.502 176.117 -0.113 0.000 1.059 220 I CA -0.894 60.312 61.300 -0.157 0.000 1.055 220 I CB 2.216 39.964 38.000 -0.422 0.000 1.243 220 I HN 0.403 8.613 8.210 0.000 0.000 0.425 221 T N 3.031 117.530 114.554 -0.092 0.000 2.823 221 T HA 0.757 5.106 4.350 -0.002 0.000 0.279 221 T C -0.541 174.117 174.700 -0.070 0.000 0.998 221 T CA -0.522 61.533 62.100 -0.074 0.000 0.994 221 T CB 1.513 70.355 68.868 -0.043 0.000 0.960 221 T HN 0.514 8.754 8.240 0.000 0.000 0.448 222 I N 2.859 123.380 120.570 -0.082 0.000 2.404 222 I HA 0.562 4.731 4.170 -0.002 0.000 0.293 222 I C 0.094 176.214 176.117 0.004 0.000 0.992 222 I CA -0.566 60.708 61.300 -0.044 0.000 1.149 222 I CB 1.684 39.631 38.000 -0.088 0.000 1.315 222 I HN 0.915 9.125 8.210 0.000 0.000 0.446 223 E N 4.675 124.945 120.200 0.116 0.000 2.445 223 E HA 0.384 4.732 4.350 -0.002 0.000 0.279 223 E C -1.348 175.385 176.600 0.221 0.000 1.018 223 E CA -1.257 55.263 56.400 0.201 0.000 0.816 223 E CB 1.521 31.287 29.700 0.110 0.000 1.356 223 E HN 0.329 8.689 8.360 0.000 0.000 0.462 224 K N 1.380 121.902 120.400 0.202 0.000 2.416 224 K HA 0.116 4.435 4.320 -0.002 0.000 0.283 224 K C -0.102 176.538 176.600 0.066 0.000 1.037 224 K CA 0.033 56.383 56.287 0.103 0.000 0.995 224 K CB 0.673 33.199 32.500 0.044 0.000 0.938 224 K HN 0.599 8.849 8.250 0.000 0.000 0.475 225 S N 2.384 118.121 115.700 0.062 0.000 2.707 225 S HA 0.127 4.596 4.470 -0.002 0.000 0.276 225 S C 0.701 175.267 174.600 -0.058 0.000 1.179 225 S CA -0.546 57.680 58.200 0.042 0.000 0.992 225 S CB 1.510 64.796 63.200 0.143 0.000 1.030 225 S HN 0.735 9.045 8.310 0.000 0.000 0.554 226 E N -0.640 119.421 120.200 -0.231 0.000 2.489 226 E HA 0.287 4.636 4.350 -0.002 0.000 0.193 226 E C -1.015 175.231 176.600 -0.591 0.000 1.057 226 E CA 0.006 56.127 56.400 -0.464 0.000 0.866 226 E CB -0.093 29.200 29.700 -0.678 0.000 0.916 226 E HN 0.622 8.982 8.360 0.000 0.000 0.500 227 F N 1.759 121.711 119.950 0.003 0.000 2.363 227 F HA 0.347 4.872 4.527 -0.002 0.000 0.366 227 F C -2.009 173.787 175.800 -0.006 0.000 1.083 227 F CA -2.581 55.416 58.000 -0.006 0.000 1.176 227 F CB 0.957 39.953 39.000 -0.006 0.000 1.432 227 F HN -0.104 8.196 8.300 0.000 0.000 0.482 228 P HA 0.207 4.627 4.420 0.000 0.000 0.274 228 P C -0.513 176.819 177.300 0.052 0.000 1.256 228 P CA -0.374 62.770 63.100 0.073 0.000 0.795 228 P CB 1.030 32.745 31.700 0.025 0.000 1.038 229 A N 0.958 123.813 122.820 0.057 0.000 2.363 229 A HA 0.457 4.776 4.320 -0.002 0.000 0.270 229 A C -0.261 177.225 177.584 -0.162 0.000 1.121 229 A CA -0.359 51.634 52.037 -0.074 0.000 0.800 229 A CB -0.079 18.937 19.000 0.027 0.000 1.052 229 A HN 0.325 8.475 8.150 0.000 0.000 0.493 230 V N 3.112 122.802 119.914 -0.374 0.000 2.409 230 V HA 0.538 4.657 4.120 -0.002 0.000 0.291 230 V C -0.842 174.950 176.094 -0.503 0.000 1.020 230 V CA -0.144 61.979 62.300 -0.295 0.000 0.848 230 V CB 0.491 32.199 31.823 -0.193 0.000 0.990 230 V HN 0.734 8.924 8.190 0.000 0.000 0.430 231 F N 2.619 122.578 119.950 0.014 0.000 2.598 231 F HA 0.671 5.197 4.527 -0.002 0.000 0.327 231 F C 0.073 175.852 175.800 -0.034 0.000 1.057 231 F CA -1.016 57.036 58.000 0.088 0.000 0.957 231 F CB 1.277 40.475 39.000 0.329 0.000 1.278 231 F HN 0.275 8.575 8.300 0.000 0.000 0.484 232 F N 1.054 121.159 119.950 0.257 0.000 2.506 232 F HA 0.149 4.675 4.527 -0.002 0.000 0.351 232 F C 0.788 176.801 175.800 0.355 0.000 1.136 232 F CA -0.318 57.749 58.000 0.112 0.000 1.298 232 F CB 0.424 39.371 39.000 -0.088 0.000 1.145 232 F HN 0.282 8.582 8.300 0.000 0.000 0.593 233 K N 2.406 123.039 120.400 0.388 0.000 2.447 233 K HA -0.055 4.264 4.320 -0.002 0.000 0.281 233 K C -0.373 176.439 176.600 0.354 0.000 1.031 233 K CA -0.126 56.350 56.287 0.315 0.000 1.019 233 K CB 0.114 32.735 32.500 0.202 0.000 0.918 233 K HN 0.501 8.751 8.250 0.000 0.000 0.476 234 N N 3.647 122.524 118.700 0.296 0.000 2.485 234 N HA 0.032 4.771 4.740 -0.002 0.000 0.243 234 N C -0.031 175.586 175.510 0.178 0.000 0.987 234 N CA -0.149 53.014 53.050 0.188 0.000 0.940 234 N CB 1.582 40.054 38.487 -0.025 0.000 1.122 234 N HN 0.598 8.978 8.380 0.000 0.000 0.509 235 E N 2.274 122.566 120.200 0.152 0.000 2.285 235 E HA 0.062 4.411 4.350 -0.002 0.000 0.194 235 E C 0.326 177.007 176.600 0.134 0.000 0.997 235 E CA 1.113 57.591 56.400 0.131 0.000 0.845 235 E CB 0.306 30.066 29.700 0.101 0.000 0.782 235 E HN 0.509 8.869 8.360 0.000 0.000 0.491 236 K N -0.404 120.067 120.400 0.118 0.000 2.397 236 K HA 0.145 4.463 4.320 -0.002 0.000 0.202 236 K C 1.465 178.134 176.600 0.115 0.000 1.022 236 K CA -0.202 56.153 56.287 0.113 0.000 1.141 236 K CB 0.473 33.016 32.500 0.070 0.000 0.857 236 K HN -0.026 8.224 8.250 0.000 0.000 0.514 237 R N 0.759 121.347 120.500 0.146 0.000 2.094 237 R HA -0.196 4.142 4.340 -0.002 0.000 0.239 237 R C 1.944 178.314 176.300 0.117 0.000 1.137 237 R CA 1.757 57.915 56.100 0.096 0.000 0.943 237 R CB -0.259 30.152 30.300 0.186 0.000 0.850 237 R HN 0.211 8.481 8.270 0.000 0.000 0.433 238 F N 1.691 121.733 119.950 0.152 0.000 2.113 238 F HA -0.121 4.404 4.527 -0.003 0.000 0.297 238 F C 2.484 178.393 175.800 0.181 0.000 1.103 238 F CA 1.935 60.028 58.000 0.155 0.000 1.248 238 F CB -0.287 38.876 39.000 0.272 0.000 0.999 238 F HN 0.010 8.310 8.300 0.000 0.000 0.475 239 R N 0.182 120.837 120.500 0.258 0.000 2.120 239 R HA -0.140 4.199 4.340 -0.002 0.000 0.234 239 R C 1.602 177.963 176.300 0.103 0.000 1.123 239 R CA 1.875 58.089 56.100 0.189 0.000 0.975 239 R CB -0.881 29.542 30.300 0.206 0.000 0.866 239 R HN 0.196 8.466 8.270 0.000 0.000 0.446 240 N N 0.965 119.674 118.700 0.015 0.000 2.270 240 N HA -0.076 4.663 4.740 -0.002 0.000 0.181 240 N C 1.629 177.056 175.510 -0.139 0.000 1.016 240 N CA 0.795 53.819 53.050 -0.044 0.000 0.870 240 N CB -0.202 38.242 38.487 -0.071 0.000 0.979 240 N HN 0.197 8.577 8.380 0.000 0.000 0.431 241 L N -0.173 120.875 121.223 -0.293 0.000 2.021 241 L HA -0.242 4.097 4.340 -0.002 0.000 0.215 241 L C 1.491 178.068 176.870 -0.488 0.000 1.074 241 L CA 1.754 56.289 54.840 -0.508 0.000 0.760 241 L CB -0.421 41.127 42.059 -0.851 0.000 0.889 241 L HN 0.082 8.312 8.230 0.000 0.000 0.433 242 F N -0.358 119.474 119.950 -0.197 0.000 2.113 242 F HA -0.086 4.440 4.527 -0.001 0.000 0.297 242 F C 2.569 178.310 175.800 -0.098 0.000 1.103 242 F CA 1.243 59.155 58.000 -0.148 0.000 1.248 242 F CB -1.101 37.801 39.000 -0.163 0.000 0.999 242 F HN 0.120 8.420 8.300 0.000 0.000 0.475 243 G N -0.160 108.682 108.800 0.070 0.000 2.408 243 G HA2 -0.179 3.779 3.960 -0.002 0.000 0.217 243 G HA3 -0.179 3.779 3.960 -0.002 0.000 0.217 243 G C 1.653 176.530 174.900 -0.037 0.000 1.150 243 G CA 0.487 45.597 45.100 0.018 0.000 0.776 243 G HN 0.240 8.530 8.290 0.000 0.000 0.542 244 K N -0.032 120.316 120.400 -0.087 0.000 2.057 244 K HA 0.002 4.321 4.320 -0.002 0.000 0.207 244 K C 2.557 179.068 176.600 -0.148 0.000 1.049 244 K CA 0.909 57.120 56.287 -0.127 0.000 0.931 244 K CB -0.323 32.074 32.500 -0.171 0.000 0.714 244 K HN 0.172 8.422 8.250 0.000 0.000 0.440 245 V N 1.604 121.424 119.914 -0.157 0.000 2.255 245 V HA -0.272 3.847 4.120 -0.002 0.000 0.247 245 V C 2.206 178.270 176.094 -0.050 0.000 1.051 245 V CA 1.722 63.932 62.300 -0.150 0.000 1.018 245 V CB -0.416 31.360 31.823 -0.077 0.000 0.641 245 V HN 0.300 8.490 8.190 0.000 0.000 0.445 246 R N -0.407 120.097 120.500 0.006 0.000 2.193 246 R HA -0.124 4.215 4.340 -0.002 0.000 0.229 246 R C 2.382 178.685 176.300 0.004 0.000 1.110 246 R CA 1.436 57.556 56.100 0.034 0.000 0.988 246 R CB -0.407 29.916 30.300 0.038 0.000 0.871 246 R HN 0.466 8.736 8.270 0.000 0.000 0.458 247 S N 0.275 115.955 115.700 -0.034 0.000 2.562 247 S HA 0.076 4.545 4.470 -0.002 0.000 0.221 247 S C 0.853 175.415 174.600 -0.064 0.000 0.975 247 S CA -0.233 57.941 58.200 -0.043 0.000 0.918 247 S CB 0.083 63.251 63.200 -0.054 0.000 0.772 247 S HN 0.053 8.363 8.310 0.000 0.000 0.531 248 I N 2.735 123.247 120.570 -0.096 0.000 2.683 248 I HA 0.309 4.478 4.170 -0.002 0.000 0.286 248 I C 1.099 177.178 176.117 -0.063 0.000 1.175 248 I CA 0.745 61.957 61.300 -0.148 0.000 1.429 248 I CB 0.060 37.858 38.000 -0.337 0.000 1.371 248 I HN 0.381 8.591 8.210 0.000 0.000 0.569 249 G N 0.000 108.759 108.800 -0.068 0.000 5.446 249 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 249 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 249 G CA 0.000 45.082 45.100 -0.030 0.000 0.502 249 G HN 0.000 8.290 8.290 0.000 0.000 0.925