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 2a1y_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGNVFDYEDI QLIPAKCIVN SRSECDTTVT LGKHKFKLPV VPANMQTIID DATA SEQUENCE ERIATYLAEN NYFYIMHRFQ PEKRISFIRD MQSRGLIASI SVGVKEDEYE DATA SEQUENCE FVQQLAAEHL TPEYITIDIA HGHSNAVINM IQHIKKHLPE SFVIAGNVGT DATA SEQUENCE PEAVRELENA GADATKVGIG PGKVCITKIK TGFGTGGWQL AALRWCAKAA DATA SEQUENCE SKPIIADGGI RTNGDVAKSI RFGATMVMIG SLFAGHEESP GETIEXXXKL DATA SEQUENCE YKEYFGSXXX XXXXXXXXXX XXXXFVEHKG SLEDTLIEME QDLQSSISYA DATA SEQUENCE GGTKLDSIRT VDYVVVKNSI F 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 0.000 176.218 176.300 -0.136 0.000 1.140 1 M CA 0.000 55.216 55.300 -0.139 0.000 0.988 1 M CB 0.000 32.263 32.600 -0.563 0.000 1.302 2 G N 4.564 113.322 108.800 -0.070 0.000 2.610 2 G HA2 -0.187 3.768 3.960 -0.008 0.000 0.304 2 G HA3 -0.187 3.768 3.960 -0.008 0.000 0.304 2 G C -0.863 174.016 174.900 -0.034 0.000 1.309 2 G CA -0.313 44.784 45.100 -0.006 0.000 0.906 2 G HN 1.248 9.538 8.290 0.000 0.000 0.521 3 N N -1.251 117.486 118.700 0.062 0.000 2.518 3 N HA 0.405 5.140 4.740 -0.008 0.000 0.266 3 N C 0.096 175.629 175.510 0.037 0.000 1.196 3 N CA -0.286 52.819 53.050 0.091 0.000 0.947 3 N CB 2.335 40.942 38.487 0.199 0.000 1.098 3 N HN 1.192 9.572 8.380 0.000 0.000 0.450 4 V N 2.913 122.795 119.914 -0.054 0.000 2.427 4 V HA 0.732 4.847 4.120 -0.008 0.000 0.286 4 V C -0.970 175.099 176.094 -0.041 0.000 1.034 4 V CA -0.330 61.849 62.300 -0.203 0.000 0.893 4 V CB -0.188 31.454 31.823 -0.301 0.000 0.982 4 V HN 0.808 8.998 8.190 0.000 0.000 0.452 5 F N 3.380 123.310 119.950 -0.035 0.000 2.831 5 F HA 0.883 5.405 4.527 -0.008 0.000 0.318 5 F C -1.138 174.608 175.800 -0.090 0.000 1.174 5 F CA -0.985 56.980 58.000 -0.058 0.000 0.918 5 F CB 0.975 39.922 39.000 -0.089 0.000 1.364 5 F HN 0.522 8.822 8.300 0.000 0.000 0.475 6 D N -1.504 119.027 120.400 0.217 0.000 2.744 6 D HA 0.335 4.970 4.640 -0.008 0.000 0.304 6 D C 0.423 176.760 176.300 0.063 0.000 1.179 6 D CA -0.617 53.395 54.000 0.020 0.000 1.024 6 D CB 1.091 41.927 40.800 0.060 0.000 1.453 6 D HN 0.546 8.916 8.370 0.000 0.000 0.529 7 Y N 0.503 120.876 120.300 0.121 0.000 2.151 7 Y HA -0.182 4.363 4.550 -0.008 0.000 0.284 7 Y C 2.122 178.066 175.900 0.073 0.000 1.166 7 Y CA 1.865 60.027 58.100 0.104 0.000 1.163 7 Y CB 0.129 38.643 38.460 0.089 0.000 0.974 7 Y HN 0.415 8.695 8.280 0.000 0.000 0.511 8 E N -0.314 120.017 120.200 0.218 0.000 2.511 8 E HA -0.118 4.228 4.350 -0.008 0.000 0.196 8 E C 0.430 177.034 176.600 0.006 0.000 1.066 8 E CA 0.912 57.361 56.400 0.080 0.000 0.871 8 E CB -0.225 29.569 29.700 0.156 0.000 0.863 8 E HN 0.537 8.897 8.360 0.000 0.000 0.520 9 D N 0.524 120.953 120.400 0.050 0.000 2.346 9 D HA 0.085 4.720 4.640 -0.008 0.000 0.206 9 D C 0.438 176.707 176.300 -0.051 0.000 1.001 9 D CA 0.103 54.110 54.000 0.012 0.000 0.871 9 D CB 0.674 41.520 40.800 0.076 0.000 0.943 9 D HN 0.171 8.541 8.370 0.000 0.000 0.518 10 I N 1.987 122.532 120.570 -0.042 0.000 2.331 10 I HA 0.154 4.319 4.170 -0.008 0.000 0.292 10 I C 0.274 176.391 176.117 -0.000 0.000 0.998 10 I CA -0.184 61.091 61.300 -0.041 0.000 1.267 10 I CB 1.339 39.322 38.000 -0.028 0.000 1.386 10 I HN -0.236 7.974 8.210 0.000 0.000 0.476 11 Q N 6.265 126.077 119.800 0.020 0.000 2.333 11 Q HA 0.553 4.889 4.340 -0.008 0.000 0.267 11 Q C -0.795 175.241 176.000 0.060 0.000 1.012 11 Q CA -0.767 55.039 55.803 0.004 0.000 0.824 11 Q CB 3.070 31.787 28.738 -0.036 0.000 1.290 11 Q HN 0.506 8.776 8.270 0.000 0.000 0.449 12 L N 2.897 124.139 121.223 0.031 0.000 2.334 12 L HA 0.522 4.858 4.340 -0.008 0.000 0.277 12 L C 0.290 177.166 176.870 0.008 0.000 1.075 12 L CA -0.595 54.274 54.840 0.047 0.000 0.804 12 L CB 0.869 42.941 42.059 0.022 0.000 1.174 12 L HN 0.409 8.639 8.230 0.000 0.000 0.438 13 I N 3.339 123.925 120.570 0.027 0.000 2.336 13 I HA 0.288 4.453 4.170 -0.008 0.000 0.292 13 I C -2.083 174.054 176.117 0.033 0.000 0.991 13 I CA -1.907 59.399 61.300 0.011 0.000 1.227 13 I CB 1.718 39.718 38.000 0.002 0.000 1.366 13 I HN 0.300 8.510 8.210 0.000 0.000 0.466 14 P HA 0.227 4.647 4.420 0.000 0.000 0.276 14 P C -0.674 176.679 177.300 0.089 0.000 1.230 14 P CA -0.185 62.992 63.100 0.127 0.000 0.776 14 P CB 0.974 32.803 31.700 0.216 0.000 0.888 15 A N 2.761 125.632 122.820 0.085 0.000 2.261 15 A HA 0.448 4.763 4.320 -0.008 0.000 0.323 15 A C -0.012 177.598 177.584 0.044 0.000 1.107 15 A CA -0.854 51.214 52.037 0.051 0.000 0.883 15 A CB 0.428 19.449 19.000 0.036 0.000 1.251 15 A HN 0.477 8.627 8.150 0.000 0.000 0.502 16 K N 0.209 120.623 120.400 0.024 0.000 2.472 16 K HA 0.075 4.391 4.320 -0.008 0.000 0.280 16 K C -0.209 176.389 176.600 -0.003 0.000 1.028 16 K CA -0.074 56.219 56.287 0.010 0.000 1.045 16 K CB -0.171 32.332 32.500 0.005 0.000 0.902 16 K HN 0.666 8.916 8.250 0.000 0.000 0.478 17 C N 7.226 126.513 119.300 -0.021 0.000 2.627 17 C HA 0.223 4.678 4.460 -0.008 0.000 0.404 17 C C 1.362 176.331 174.990 -0.035 0.000 1.340 17 C CA -0.591 58.398 59.018 -0.049 0.000 1.758 17 C CB -1.454 26.232 27.740 -0.090 0.000 2.501 17 C HN 0.888 9.118 8.230 0.000 0.000 0.588 18 I N 5.645 126.196 120.570 -0.031 0.000 3.877 18 I HA 0.417 4.583 4.170 -0.008 0.000 0.332 18 I C -0.075 176.027 176.117 -0.026 0.000 1.525 18 I CA -0.196 61.090 61.300 -0.023 0.000 1.146 18 I CB -0.434 37.558 38.000 -0.014 0.000 1.137 18 I HN 0.456 8.666 8.210 0.000 0.000 0.424 19 V N -2.679 117.214 119.914 -0.036 0.000 3.040 19 V HA 0.573 4.689 4.120 -0.008 0.000 0.312 19 V C -0.017 176.054 176.094 -0.038 0.000 1.115 19 V CA -0.665 61.615 62.300 -0.034 0.000 0.998 19 V CB 1.791 33.592 31.823 -0.036 0.000 1.042 19 V HN 0.141 8.331 8.190 0.000 0.000 0.433 20 N N 0.675 119.357 118.700 -0.029 0.000 2.415 20 N HA 0.149 4.885 4.740 -0.008 0.000 0.174 20 N C 0.389 175.882 175.510 -0.029 0.000 1.048 20 N CA 0.764 53.797 53.050 -0.028 0.000 0.895 20 N CB 1.138 39.614 38.487 -0.019 0.000 1.036 20 N HN 0.744 9.124 8.380 0.000 0.000 0.449 21 S N -0.315 115.369 115.700 -0.027 0.000 2.548 21 S HA 0.291 4.756 4.470 -0.008 0.000 0.276 21 S C 0.819 175.404 174.600 -0.024 0.000 1.129 21 S CA -0.759 57.427 58.200 -0.023 0.000 0.931 21 S CB 1.726 64.919 63.200 -0.012 0.000 1.068 21 S HN 0.259 8.569 8.310 0.000 0.000 0.480 22 R N 2.639 123.123 120.500 -0.026 0.000 2.139 22 R HA -0.041 4.294 4.340 -0.008 0.000 0.243 22 R C 1.641 177.941 176.300 -0.001 0.000 1.145 22 R CA 2.354 58.443 56.100 -0.018 0.000 0.976 22 R CB -1.038 29.256 30.300 -0.009 0.000 0.866 22 R HN 0.429 8.699 8.270 0.000 0.000 0.449 23 S N 1.075 116.777 115.700 0.003 0.000 2.434 23 S HA -0.201 4.264 4.470 -0.008 0.000 0.243 23 S C 1.109 175.711 174.600 0.004 0.000 1.045 23 S CA 2.007 60.211 58.200 0.007 0.000 1.019 23 S CB -0.291 62.913 63.200 0.006 0.000 0.811 23 S HN 0.606 8.916 8.310 0.000 0.000 0.485 24 E N -0.514 119.685 120.200 -0.002 0.000 2.476 24 E HA 0.087 4.432 4.350 -0.008 0.000 0.191 24 E C -0.215 176.384 176.600 -0.001 0.000 1.064 24 E CA -0.195 56.203 56.400 -0.004 0.000 0.866 24 E CB 0.040 29.735 29.700 -0.008 0.000 0.952 24 E HN 0.389 8.749 8.360 0.000 0.000 0.492 25 C N 1.556 120.858 119.300 0.003 0.000 2.341 25 C HA 0.357 4.812 4.460 -0.008 0.000 0.338 25 C C 0.053 175.052 174.990 0.015 0.000 1.257 25 C CA -1.279 57.744 59.018 0.008 0.000 1.883 25 C CB 0.531 28.278 27.740 0.011 0.000 2.334 25 C HN 0.254 8.484 8.230 0.000 0.000 0.524 26 D N 1.001 121.411 120.400 0.015 0.000 2.344 26 D HA 0.335 4.970 4.640 -0.008 0.000 0.239 26 D C 0.738 177.053 176.300 0.026 0.000 1.064 26 D CA -0.213 53.797 54.000 0.016 0.000 0.829 26 D CB 1.382 42.186 40.800 0.006 0.000 1.129 26 D HN 0.697 9.067 8.370 0.000 0.000 0.506 27 T N -0.493 114.083 114.554 0.037 0.000 3.044 27 T HA 0.135 4.480 4.350 -0.008 0.000 0.260 27 T C 0.924 175.659 174.700 0.059 0.000 1.019 27 T CA -0.026 62.106 62.100 0.053 0.000 0.921 27 T CB -0.485 68.426 68.868 0.073 0.000 1.053 27 T HN 0.419 8.659 8.240 0.000 0.000 0.533 28 T N 0.618 115.197 114.554 0.041 0.000 2.791 28 T HA 0.483 4.828 4.350 -0.008 0.000 0.323 28 T C 0.105 174.832 174.700 0.045 0.000 1.082 28 T CA -0.399 61.725 62.100 0.040 0.000 1.084 28 T CB 1.231 70.100 68.868 0.001 0.000 0.992 28 T HN 0.369 8.609 8.240 0.000 0.000 0.547 29 V N -0.205 119.745 119.914 0.061 0.000 3.226 29 V HA 0.716 4.831 4.120 -0.008 0.000 0.304 29 V C -0.889 175.233 176.094 0.048 0.000 1.336 29 V CA -0.655 61.675 62.300 0.051 0.000 1.066 29 V CB 2.453 34.314 31.823 0.063 0.000 1.087 29 V HN 1.262 9.452 8.190 0.000 0.000 0.451 30 T N 2.927 117.493 114.554 0.020 0.000 2.893 30 T HA 0.744 5.090 4.350 -0.008 0.000 0.293 30 T C -1.624 173.069 174.700 -0.013 0.000 1.027 30 T CA -0.218 61.867 62.100 -0.024 0.000 0.988 30 T CB 1.263 70.102 68.868 -0.049 0.000 1.043 30 T HN 0.732 8.972 8.240 0.000 0.000 0.461 31 L N 3.428 124.639 121.223 -0.020 0.000 2.482 31 L HA 0.647 4.983 4.340 -0.008 0.000 0.269 31 L C 0.713 177.435 176.870 -0.247 0.000 0.967 31 L CA 0.651 55.373 54.840 -0.196 0.000 0.851 31 L CB 0.971 42.753 42.059 -0.462 0.000 1.242 31 L HN 0.885 9.115 8.230 0.000 0.000 0.404 32 G N 4.088 112.674 108.800 -0.356 0.000 2.672 32 G HA2 -0.347 3.609 3.960 -0.008 0.000 0.324 32 G HA3 -0.347 3.609 3.960 -0.008 0.000 0.324 32 G C 0.477 175.337 174.900 -0.067 0.000 1.286 32 G CA 0.574 45.584 45.100 -0.149 0.000 1.004 32 G HN 0.610 8.900 8.290 0.000 0.000 0.548 33 K N 2.273 122.628 120.400 -0.074 0.000 2.504 33 K HA 0.208 4.524 4.320 -0.008 0.000 0.199 33 K C 0.327 176.487 176.600 -0.733 0.000 1.028 33 K CA 0.518 56.597 56.287 -0.348 0.000 1.164 33 K CB -0.154 32.103 32.500 -0.405 0.000 0.877 33 K HN 0.678 8.928 8.250 0.000 0.000 0.508 34 H N -0.822 118.172 119.070 -0.128 0.000 2.895 34 H HA 0.394 4.945 4.556 -0.009 0.000 0.373 34 H C -0.768 174.192 175.328 -0.614 0.000 1.174 34 H CA -0.796 55.055 56.048 -0.328 0.000 1.144 34 H CB 2.072 31.718 29.762 -0.192 0.000 1.793 34 H HN -0.220 8.060 8.280 0.000 0.000 0.551 35 K N 2.080 122.045 120.400 -0.726 0.000 2.345 35 K HA 0.514 4.830 4.320 -0.008 0.000 0.255 35 K C -1.706 174.437 176.600 -0.762 0.000 0.934 35 K CA -0.535 55.434 56.287 -0.532 0.000 0.801 35 K CB 1.086 33.418 32.500 -0.279 0.000 1.137 35 K HN 0.347 8.597 8.250 0.000 0.000 0.424 36 F N 1.629 121.559 119.950 -0.032 0.000 2.620 36 F HA 0.398 4.921 4.527 -0.006 0.000 0.320 36 F C 1.281 177.054 175.800 -0.046 0.000 1.069 36 F CA -0.922 57.062 58.000 -0.027 0.000 0.953 36 F CB 1.647 40.657 39.000 0.016 0.000 1.322 36 F HN 0.447 8.747 8.300 0.000 0.000 0.479 37 K N 0.505 120.961 120.400 0.092 0.000 2.155 37 K HA 0.163 4.478 4.320 -0.008 0.000 0.203 37 K C -0.216 176.460 176.600 0.127 0.000 1.052 37 K CA 1.106 57.388 56.287 -0.009 0.000 0.948 37 K CB 0.182 32.507 32.500 -0.291 0.000 0.728 37 K HN 0.403 8.653 8.250 0.000 0.000 0.448 38 L N 0.697 122.059 121.223 0.232 0.000 2.409 38 L HA 0.245 4.580 4.340 -0.008 0.000 0.262 38 L C -2.246 174.742 176.870 0.196 0.000 0.992 38 L CA -1.829 53.150 54.840 0.232 0.000 0.817 38 L CB 2.689 44.941 42.059 0.322 0.000 1.350 38 L HN -0.157 8.073 8.230 0.000 0.000 0.411 39 P HA 0.010 4.430 4.420 0.000 0.000 0.271 39 P C -0.442 176.928 177.300 0.117 0.000 1.535 39 P CA 0.287 63.451 63.100 0.106 0.000 0.820 39 P CB -0.215 31.537 31.700 0.086 0.000 1.606 40 V N -3.234 116.776 119.914 0.161 0.000 3.001 40 V HA 0.803 4.919 4.120 -0.008 0.000 0.314 40 V C -0.916 175.290 176.094 0.188 0.000 1.099 40 V CA -1.261 61.149 62.300 0.182 0.000 0.989 40 V CB 2.570 34.525 31.823 0.220 0.000 1.040 40 V HN -0.133 8.057 8.190 0.000 0.000 0.434 41 V N 3.468 123.492 119.914 0.183 0.000 2.777 41 V HA 0.699 4.814 4.120 -0.008 0.000 0.306 41 V C -2.835 173.304 176.094 0.076 0.000 1.112 41 V CA -1.808 60.535 62.300 0.070 0.000 0.917 41 V CB 2.800 34.675 31.823 0.087 0.000 1.018 41 V HN 0.990 9.180 8.190 0.000 0.000 0.426 42 P HA 0.327 4.747 4.420 0.000 0.000 0.272 42 P C -0.503 176.794 177.300 -0.004 0.000 1.223 42 P CA 0.095 63.134 63.100 -0.102 0.000 0.784 42 P CB 0.641 32.057 31.700 -0.474 0.000 0.923 43 A N 2.763 125.629 122.820 0.078 0.000 2.540 43 A HA 0.047 4.362 4.320 -0.008 0.000 0.239 43 A C 0.843 178.441 177.584 0.024 0.000 1.061 43 A CA -0.212 51.864 52.037 0.064 0.000 0.758 43 A CB -0.538 18.528 19.000 0.110 0.000 0.991 43 A HN 0.678 8.828 8.150 0.000 0.000 0.502 44 N N 2.766 121.476 118.700 0.018 0.000 3.193 44 N HA 0.185 4.920 4.740 -0.008 0.000 0.312 44 N C -0.721 174.827 175.510 0.064 0.000 1.261 44 N CA 0.347 53.412 53.050 0.024 0.000 1.208 44 N CB -0.312 38.176 38.487 0.002 0.000 1.471 44 N HN 0.586 8.966 8.380 0.000 0.000 0.548 45 M N 0.238 119.862 119.600 0.040 0.000 2.530 45 M HA 0.170 4.645 4.480 -0.008 0.000 0.307 45 M C 0.906 177.113 176.300 -0.156 0.000 1.161 45 M CA -0.738 54.527 55.300 -0.059 0.000 0.903 45 M CB 2.613 35.165 32.600 -0.081 0.000 1.711 45 M HN 0.099 8.389 8.290 0.000 0.000 0.451 46 Q N -0.690 118.822 119.800 -0.480 0.000 2.437 46 Q HA -0.084 4.251 4.340 -0.008 0.000 0.210 46 Q C 1.266 177.018 176.000 -0.413 0.000 0.972 46 Q CA 1.675 57.069 55.803 -0.681 0.000 0.903 46 Q CB -0.686 27.478 28.738 -0.957 0.000 0.967 46 Q HN 0.890 9.160 8.270 0.000 0.000 0.486 47 T N -2.776 111.521 114.554 -0.428 0.000 3.081 47 T HA 0.179 4.524 4.350 -0.008 0.000 0.250 47 T C 1.364 176.003 174.700 -0.101 0.000 1.100 47 T CA 0.034 61.900 62.100 -0.390 0.000 1.038 47 T CB 0.179 68.590 68.868 -0.763 0.000 0.962 47 T HN 0.145 8.385 8.240 0.000 0.000 0.516 48 I N -0.495 120.038 120.570 -0.062 0.000 3.812 48 I HA 0.528 4.693 4.170 -0.008 0.000 0.292 48 I C 0.338 176.429 176.117 -0.045 0.000 1.206 48 I CA -0.311 60.977 61.300 -0.020 0.000 1.370 48 I CB 0.157 38.173 38.000 0.025 0.000 1.328 48 I HN 0.278 8.488 8.210 0.000 0.000 0.453 49 I N 1.812 122.375 120.570 -0.012 0.000 2.569 49 I HA 0.429 4.594 4.170 -0.008 0.000 0.296 49 I C -1.277 174.876 176.117 0.060 0.000 1.028 49 I CA -0.283 61.007 61.300 -0.016 0.000 1.082 49 I CB 1.570 39.553 38.000 -0.028 0.000 1.264 49 I HN 0.193 8.403 8.210 0.000 0.000 0.429 50 D N 3.351 123.745 120.400 -0.010 0.000 2.652 50 D HA 0.324 4.960 4.640 -0.008 0.000 0.285 50 D C 0.313 176.573 176.300 -0.066 0.000 1.173 50 D CA -0.415 53.587 54.000 0.003 0.000 0.981 50 D CB 0.580 41.406 40.800 0.044 0.000 1.440 50 D HN 0.382 8.752 8.370 0.000 0.000 0.485 51 E N -0.660 119.524 120.200 -0.027 0.000 2.077 51 E HA -0.131 4.214 4.350 -0.008 0.000 0.193 51 E C 1.753 178.373 176.600 0.032 0.000 0.989 51 E CA 1.095 57.534 56.400 0.065 0.000 0.800 51 E CB -0.024 29.766 29.700 0.150 0.000 0.746 51 E HN 0.292 8.652 8.360 0.000 0.000 0.452 52 R N 0.762 121.272 120.500 0.017 0.000 2.094 52 R HA -0.149 4.186 4.340 -0.008 0.000 0.239 52 R C 2.159 178.458 176.300 -0.002 0.000 1.137 52 R CA 1.567 57.674 56.100 0.012 0.000 0.943 52 R CB -0.748 29.559 30.300 0.011 0.000 0.850 52 R HN 0.285 8.555 8.270 0.000 0.000 0.433 53 I N 0.564 121.109 120.570 -0.041 0.000 2.202 53 I HA -0.243 3.922 4.170 -0.008 0.000 0.242 53 I C 2.599 178.658 176.117 -0.097 0.000 1.091 53 I CA 1.348 62.613 61.300 -0.059 0.000 1.368 53 I CB -0.516 37.414 38.000 -0.116 0.000 1.058 53 I HN 0.179 8.389 8.210 0.000 0.000 0.410 54 A N 0.530 123.202 122.820 -0.246 0.000 1.927 54 A HA -0.262 4.053 4.320 -0.008 0.000 0.220 54 A C 2.377 179.683 177.584 -0.464 0.000 1.185 54 A CA 2.770 54.421 52.037 -0.643 0.000 0.639 54 A CB -1.243 17.366 19.000 -0.652 0.000 0.820 54 A HN 0.451 8.601 8.150 0.000 0.000 0.451 55 T N -1.832 112.617 114.554 -0.174 0.000 2.777 55 T HA -0.129 4.217 4.350 -0.008 0.000 0.266 55 T C 1.789 176.472 174.700 -0.029 0.000 1.040 55 T CA 1.461 63.509 62.100 -0.087 0.000 1.141 55 T CB -0.454 68.397 68.868 -0.028 0.000 0.868 55 T HN 0.601 8.841 8.240 0.000 0.000 0.444 56 Y N 2.139 122.398 120.300 -0.068 0.000 2.097 56 Y HA -0.134 4.412 4.550 -0.006 0.000 0.282 56 Y C 1.956 177.888 175.900 0.054 0.000 1.152 56 Y CA 1.182 59.273 58.100 -0.015 0.000 1.136 56 Y CB -0.635 37.803 38.460 -0.036 0.000 0.975 56 Y HN 0.100 8.380 8.280 0.000 0.000 0.498 57 L N 0.013 121.197 121.223 -0.065 0.000 1.961 57 L HA -0.247 4.088 4.340 -0.008 0.000 0.210 57 L C 2.897 179.807 176.870 0.067 0.000 1.072 57 L CA 1.377 56.238 54.840 0.035 0.000 0.749 57 L CB -1.323 40.801 42.059 0.108 0.000 0.889 57 L HN 0.360 8.590 8.230 0.000 0.000 0.432 58 A N -0.091 122.785 122.820 0.093 0.000 1.903 58 A HA -0.295 4.020 4.320 -0.008 0.000 0.219 58 A C 2.135 179.743 177.584 0.039 0.000 1.191 58 A CA 2.211 54.345 52.037 0.161 0.000 0.638 58 A CB -0.723 18.380 19.000 0.171 0.000 0.823 58 A HN 0.513 8.663 8.150 0.000 0.000 0.451 59 E N -0.493 119.677 120.200 -0.050 0.000 2.333 59 E HA -0.109 4.236 4.350 -0.008 0.000 0.198 59 E C 0.565 177.089 176.600 -0.127 0.000 1.007 59 E CA 0.807 57.161 56.400 -0.076 0.000 0.845 59 E CB -0.100 29.551 29.700 -0.082 0.000 0.766 59 E HN 0.611 8.971 8.360 0.000 0.000 0.507 60 N N 0.450 119.029 118.700 -0.203 0.000 2.234 60 N HA 0.074 4.809 4.740 -0.008 0.000 0.227 60 N C -0.715 174.591 175.510 -0.340 0.000 1.151 60 N CA 0.034 52.928 53.050 -0.260 0.000 0.865 60 N CB 0.550 38.836 38.487 -0.336 0.000 1.066 60 N HN 0.148 8.528 8.380 0.000 0.000 0.515 61 N N -0.016 118.599 118.700 -0.142 0.000 2.747 61 N HA -0.213 4.522 4.740 -0.008 0.000 0.249 61 N C -1.249 174.251 175.510 -0.016 0.000 1.107 61 N CA 0.390 53.408 53.050 -0.053 0.000 0.707 61 N CB -1.356 37.052 38.487 -0.133 0.000 1.054 61 N HN 0.377 8.757 8.380 0.000 0.000 0.555 62 Y N 0.017 120.439 120.300 0.205 0.000 2.320 62 Y HA 0.376 4.923 4.550 -0.007 0.000 0.334 62 Y C 0.554 176.543 175.900 0.148 0.000 1.055 62 Y CA -1.069 57.136 58.100 0.175 0.000 1.143 62 Y CB 0.577 39.066 38.460 0.048 0.000 1.193 62 Y HN 0.033 8.313 8.280 0.000 0.000 0.477 63 F N 5.694 125.542 119.950 -0.171 0.000 2.506 63 F HA 0.264 4.786 4.527 -0.009 0.000 0.351 63 F C -0.602 175.007 175.800 -0.319 0.000 1.136 63 F CA -0.871 56.635 58.000 -0.823 0.000 1.298 63 F CB 0.064 38.235 39.000 -1.383 0.000 1.145 63 F HN 0.420 8.720 8.300 0.000 0.000 0.593 64 Y N 3.866 123.495 120.300 -1.119 0.000 2.597 64 Y HA 0.763 5.308 4.550 -0.009 0.000 0.340 64 Y C -1.898 173.397 175.900 -1.007 0.000 1.097 64 Y CA -2.178 55.462 58.100 -0.767 0.000 1.037 64 Y CB 0.898 39.146 38.460 -0.353 0.000 1.305 64 Y HN 0.447 8.727 8.280 0.000 0.000 0.463 65 I N 4.169 124.375 120.570 -0.606 0.000 2.499 65 I HA 0.328 4.493 4.170 -0.008 0.000 0.288 65 I C -0.780 175.297 176.117 -0.067 0.000 1.048 65 I CA -0.946 60.087 61.300 -0.444 0.000 1.062 65 I CB 2.051 39.843 38.000 -0.348 0.000 1.238 65 I HN 0.753 8.963 8.210 0.000 0.000 0.426 66 M N 6.482 126.065 119.600 -0.028 0.000 2.250 66 M HA 0.286 4.761 4.480 -0.008 0.000 0.344 66 M C 0.000 176.180 176.300 -0.200 0.000 1.150 66 M CA 0.278 55.463 55.300 -0.192 0.000 1.147 66 M CB 0.436 32.739 32.600 -0.494 0.000 1.498 66 M HN 0.571 8.861 8.290 0.000 0.000 0.461 67 H N 1.847 120.851 119.070 -0.110 0.000 2.581 67 H HA 0.431 4.983 4.556 -0.007 0.000 0.369 67 H C -0.195 175.094 175.328 -0.065 0.000 1.351 67 H CA -0.345 55.665 56.048 -0.064 0.000 1.434 67 H CB 0.430 30.166 29.762 -0.045 0.000 1.558 67 H HN 0.706 8.986 8.280 0.000 0.000 0.608 68 R N 0.311 120.928 120.500 0.196 0.000 2.468 68 R HA 0.075 4.410 4.340 -0.008 0.000 0.280 68 R C 0.448 176.879 176.300 0.218 0.000 0.963 68 R CA -0.183 55.971 56.100 0.090 0.000 1.083 68 R CB -0.050 30.278 30.300 0.047 0.000 1.200 68 R HN 0.613 8.883 8.270 0.000 0.000 0.541 69 F N 1.899 122.079 119.950 0.384 0.000 2.558 69 F HA -0.021 4.501 4.527 -0.008 0.000 0.298 69 F C 0.659 176.506 175.800 0.077 0.000 1.119 69 F CA 0.884 58.957 58.000 0.122 0.000 1.451 69 F CB 0.506 39.442 39.000 -0.107 0.000 1.091 69 F HN -0.091 8.209 8.300 0.000 0.000 0.563 70 Q N 1.478 121.273 119.800 -0.008 0.000 2.849 70 Q HA 0.272 4.608 4.340 -0.008 0.000 0.289 70 Q C -2.337 173.583 176.000 -0.133 0.000 1.012 70 Q CA -1.977 53.724 55.803 -0.170 0.000 0.899 70 Q CB 0.621 29.304 28.738 -0.091 0.000 1.235 70 Q HN 0.165 8.435 8.270 0.000 0.000 0.457 71 P HA -0.184 4.236 4.420 0.000 0.000 0.223 71 P C 0.229 177.414 177.300 -0.192 0.000 1.144 71 P CA 1.276 64.234 63.100 -0.236 0.000 0.783 71 P CB 0.430 31.968 31.700 -0.270 0.000 0.771 72 E N 0.417 120.554 120.200 -0.104 0.000 2.230 72 E HA -0.048 4.297 4.350 -0.008 0.000 0.192 72 E C 1.657 178.270 176.600 0.022 0.000 0.987 72 E CA 0.797 57.180 56.400 -0.029 0.000 0.841 72 E CB -0.564 29.119 29.700 -0.029 0.000 0.783 72 E HN 0.312 8.672 8.360 0.000 0.000 0.481 73 K N 0.666 121.069 120.400 0.005 0.000 2.487 73 K HA 0.132 4.448 4.320 -0.008 0.000 0.192 73 K C 1.763 178.432 176.600 0.114 0.000 1.027 73 K CA 0.092 56.410 56.287 0.051 0.000 1.054 73 K CB 0.140 32.656 32.500 0.025 0.000 0.824 73 K HN 0.026 8.276 8.250 0.000 0.000 0.510 74 R N 0.698 121.264 120.500 0.110 0.000 2.062 74 R HA -0.052 4.283 4.340 -0.008 0.000 0.231 74 R C 2.115 178.616 176.300 0.335 0.000 1.136 74 R CA 1.109 57.340 56.100 0.219 0.000 0.948 74 R CB -0.379 30.035 30.300 0.190 0.000 0.845 74 R HN 0.059 8.329 8.270 0.000 0.000 0.430 75 I N 0.962 121.722 120.570 0.317 0.000 2.113 75 I HA -0.384 3.781 4.170 -0.008 0.000 0.242 75 I C 2.471 178.685 176.117 0.161 0.000 1.064 75 I CA 2.113 63.544 61.300 0.218 0.000 1.320 75 I CB -0.223 37.878 38.000 0.168 0.000 1.028 75 I HN 0.244 8.454 8.210 0.000 0.000 0.406 76 S N -0.430 115.360 115.700 0.151 0.000 2.461 76 S HA -0.145 4.320 4.470 -0.008 0.000 0.228 76 S C 1.988 176.654 174.600 0.109 0.000 1.005 76 S CA 0.451 58.714 58.200 0.105 0.000 0.942 76 S CB -0.965 62.286 63.200 0.085 0.000 0.776 76 S HN 0.459 8.769 8.310 0.000 0.000 0.514 77 F N 2.714 122.693 119.950 0.048 0.000 2.069 77 F HA -0.019 4.505 4.527 -0.005 0.000 0.298 77 F C 1.847 177.682 175.800 0.057 0.000 1.113 77 F CA 1.353 59.377 58.000 0.040 0.000 1.214 77 F CB -0.508 38.511 39.000 0.030 0.000 0.978 77 F HN 0.121 8.421 8.300 0.000 0.000 0.474 78 I N 0.358 121.008 120.570 0.133 0.000 2.091 78 I HA -0.373 3.792 4.170 -0.008 0.000 0.239 78 I C 2.716 178.781 176.117 -0.087 0.000 1.061 78 I CA 1.747 63.062 61.300 0.024 0.000 1.317 78 I CB -0.647 37.432 38.000 0.132 0.000 1.031 78 I HN 0.090 8.300 8.210 0.000 0.000 0.401 79 R N 0.497 120.979 120.500 -0.031 0.000 2.096 79 R HA -0.211 4.124 4.340 -0.008 0.000 0.240 79 R C 2.032 178.286 176.300 -0.076 0.000 1.139 79 R CA 2.077 58.156 56.100 -0.035 0.000 0.952 79 R CB -0.507 29.793 30.300 0.000 0.000 0.854 79 R HN 0.407 8.677 8.270 0.000 0.000 0.436 80 D N 0.070 120.403 120.400 -0.112 0.000 2.092 80 D HA -0.189 4.446 4.640 -0.008 0.000 0.193 80 D C 1.951 178.129 176.300 -0.202 0.000 0.994 80 D CA 1.298 55.213 54.000 -0.142 0.000 0.828 80 D CB -0.136 40.572 40.800 -0.152 0.000 0.963 80 D HN 0.107 8.477 8.370 0.000 0.000 0.450 81 M N 0.363 119.743 119.600 -0.365 0.000 2.159 81 M HA -0.119 4.356 4.480 -0.008 0.000 0.263 81 M C 2.077 178.292 176.300 -0.143 0.000 1.063 81 M CA 1.354 56.461 55.300 -0.322 0.000 1.110 81 M CB -0.835 31.451 32.600 -0.524 0.000 1.374 81 M HN 0.133 8.423 8.290 0.000 0.000 0.411 82 Q N -0.432 119.302 119.800 -0.111 0.000 2.187 82 Q HA -0.068 4.268 4.340 -0.008 0.000 0.199 82 Q C 2.045 178.024 176.000 -0.034 0.000 0.957 82 Q CA 1.600 57.376 55.803 -0.046 0.000 0.857 82 Q CB -0.074 28.650 28.738 -0.023 0.000 0.929 82 Q HN 0.624 8.894 8.270 0.000 0.000 0.453 83 S N 0.179 115.853 115.700 -0.044 0.000 2.507 83 S HA -0.024 4.442 4.470 -0.008 0.000 0.235 83 S C 1.615 176.198 174.600 -0.029 0.000 0.988 83 S CA 0.411 58.593 58.200 -0.030 0.000 0.944 83 S CB 0.057 63.240 63.200 -0.028 0.000 0.762 83 S HN 0.205 8.515 8.310 0.000 0.000 0.526 84 R N 0.402 120.878 120.500 -0.040 0.000 2.334 84 R HA 0.214 4.549 4.340 -0.008 0.000 0.216 84 R C 1.434 177.723 176.300 -0.020 0.000 0.905 84 R CA 0.561 56.640 56.100 -0.034 0.000 1.064 84 R CB -0.146 30.122 30.300 -0.053 0.000 1.046 84 R HN 0.622 8.892 8.270 0.000 0.000 0.508 85 G N 1.522 110.315 108.800 -0.011 0.000 2.143 85 G HA2 -0.254 3.702 3.960 -0.008 0.000 0.248 85 G HA3 -0.254 3.702 3.960 -0.008 0.000 0.248 85 G C 0.049 174.958 174.900 0.015 0.000 0.991 85 G CA 0.166 45.268 45.100 0.004 0.000 0.689 85 G HN 0.181 8.471 8.290 0.000 0.000 0.522 86 L N -0.409 120.819 121.223 0.008 0.000 2.322 86 L HA 0.671 5.006 4.340 -0.008 0.000 0.269 86 L C 0.963 177.869 176.870 0.059 0.000 1.012 86 L CA -1.428 53.434 54.840 0.036 0.000 0.815 86 L CB 1.514 43.581 42.059 0.014 0.000 1.295 86 L HN -0.013 8.217 8.230 0.000 0.000 0.438 87 I N 1.355 122.004 120.570 0.131 0.000 2.575 87 I HA 0.246 4.411 4.170 -0.008 0.000 0.285 87 I C 0.382 176.635 176.117 0.226 0.000 1.085 87 I CA 0.229 61.617 61.300 0.148 0.000 1.403 87 I CB 1.297 39.416 38.000 0.199 0.000 1.409 87 I HN 0.624 8.834 8.210 0.000 0.000 0.557 88 A N 4.979 127.915 122.820 0.193 0.000 2.273 88 A HA 0.611 4.927 4.320 -0.008 0.000 0.315 88 A C -0.350 177.423 177.584 0.314 0.000 1.256 88 A CA -0.336 51.865 52.037 0.274 0.000 0.851 88 A CB 1.058 20.143 19.000 0.141 0.000 1.172 88 A HN 0.558 8.708 8.150 0.000 0.000 0.508 89 S N 3.004 118.911 115.700 0.345 0.000 2.756 89 S HA 0.692 5.157 4.470 -0.008 0.000 0.303 89 S C -0.496 174.163 174.600 0.099 0.000 1.135 89 S CA -0.545 57.687 58.200 0.053 0.000 1.066 89 S CB -0.122 62.692 63.200 -0.643 0.000 1.008 89 S HN 1.009 9.319 8.310 0.000 0.000 0.482 90 I N 1.231 121.879 120.570 0.130 0.000 3.108 90 I HA 0.828 4.994 4.170 -0.008 0.000 0.312 90 I C -0.558 175.592 176.117 0.056 0.000 1.095 90 I CA -0.846 60.501 61.300 0.079 0.000 1.000 90 I CB 2.276 40.386 38.000 0.182 0.000 1.229 90 I HN 0.378 8.588 8.210 0.000 0.000 0.454 91 S N 1.811 117.516 115.700 0.010 0.000 2.503 91 S HA 0.787 5.253 4.470 -0.008 0.000 0.301 91 S C -0.399 174.210 174.600 0.016 0.000 1.087 91 S CA -0.646 57.569 58.200 0.025 0.000 1.042 91 S CB 1.968 65.174 63.200 0.010 0.000 1.043 91 S HN 0.748 9.058 8.310 0.000 0.000 0.489 92 V N -0.118 119.817 119.914 0.035 0.000 3.074 92 V HA 1.072 5.187 4.120 -0.008 0.000 0.314 92 V C 0.338 176.425 176.094 -0.012 0.000 1.117 92 V CA -0.457 61.847 62.300 0.007 0.000 1.014 92 V CB 1.367 33.241 31.823 0.086 0.000 1.057 92 V HN 0.879 9.069 8.190 0.000 0.000 0.438 93 G N -0.715 108.060 108.800 -0.041 0.000 3.310 93 G HA2 0.544 4.499 3.960 -0.008 0.000 0.176 93 G HA3 0.544 4.499 3.960 -0.008 0.000 0.176 93 G C -0.182 174.677 174.900 -0.068 0.000 1.307 93 G CA 0.134 45.213 45.100 -0.035 0.000 0.935 93 G HN 1.618 9.908 8.290 0.000 0.000 0.628 94 V N -0.166 119.720 119.914 -0.048 0.000 3.823 94 V HA 0.474 4.590 4.120 -0.008 0.000 0.511 94 V C -0.697 175.449 176.094 0.087 0.000 1.722 94 V CA -0.084 62.190 62.300 -0.044 0.000 2.032 94 V CB 0.130 31.952 31.823 -0.001 0.000 1.128 94 V HN 0.541 8.731 8.190 0.000 0.000 0.581 95 K N 0.755 121.187 120.400 0.054 0.000 2.731 95 K HA 0.474 4.790 4.320 -0.008 0.000 0.257 95 K C -0.394 176.231 176.600 0.042 0.000 1.032 95 K CA -0.088 56.237 56.287 0.064 0.000 0.983 95 K CB 1.665 34.187 32.500 0.037 0.000 1.248 95 K HN 0.253 8.503 8.250 0.000 0.000 0.484 96 E N 1.177 121.414 120.200 0.062 0.000 2.568 96 E HA 0.056 4.401 4.350 -0.008 0.000 0.220 96 E C -0.086 176.597 176.600 0.139 0.000 0.869 96 E CA -0.029 56.448 56.400 0.127 0.000 1.268 96 E CB 0.614 30.352 29.700 0.064 0.000 1.252 96 E HN 0.503 8.863 8.360 0.000 0.000 0.606 97 D N 1.543 121.989 120.400 0.077 0.000 2.378 97 D HA -0.097 4.539 4.640 -0.008 0.000 0.227 97 D C 0.887 177.254 176.300 0.111 0.000 1.012 97 D CA 0.563 54.610 54.000 0.078 0.000 0.905 97 D CB 0.023 40.848 40.800 0.043 0.000 0.895 97 D HN 0.462 8.832 8.370 0.000 0.000 0.532 98 E N -0.971 119.285 120.200 0.094 0.000 2.479 98 E HA -0.072 4.274 4.350 -0.008 0.000 0.193 98 E C 1.047 177.705 176.600 0.096 0.000 1.049 98 E CA 0.039 56.509 56.400 0.116 0.000 0.870 98 E CB -0.199 29.490 29.700 -0.018 0.000 0.944 98 E HN 0.337 8.697 8.360 0.000 0.000 0.492 99 Y N 2.711 123.004 120.300 -0.012 0.000 2.314 99 Y HA -0.117 4.429 4.550 -0.008 0.000 0.293 99 Y C 2.439 178.327 175.900 -0.020 0.000 1.129 99 Y CA 1.699 59.688 58.100 -0.184 0.000 1.201 99 Y CB 0.281 38.551 38.460 -0.316 0.000 0.999 99 Y HN 0.199 8.479 8.280 0.000 0.000 0.541 100 E N -0.915 119.391 120.200 0.176 0.000 2.385 100 E HA -0.133 4.213 4.350 -0.008 0.000 0.194 100 E C 1.829 178.504 176.600 0.125 0.000 1.013 100 E CA 0.263 56.734 56.400 0.118 0.000 0.866 100 E CB -0.767 28.985 29.700 0.087 0.000 0.832 100 E HN 0.506 8.866 8.360 0.000 0.000 0.500 101 F N 2.674 122.641 119.950 0.029 0.000 2.075 101 F HA -0.212 4.311 4.527 -0.007 0.000 0.297 101 F C 2.270 178.083 175.800 0.021 0.000 1.113 101 F CA 1.945 59.956 58.000 0.019 0.000 1.218 101 F CB -0.154 38.851 39.000 0.009 0.000 0.984 101 F HN -0.007 8.293 8.300 0.000 0.000 0.472 102 V N -0.422 119.423 119.914 -0.116 0.000 2.913 102 V HA -0.200 3.915 4.120 -0.008 0.000 0.260 102 V C 1.835 177.815 176.094 -0.190 0.000 1.098 102 V CA 2.010 64.182 62.300 -0.214 0.000 1.121 102 V CB -0.704 31.137 31.823 0.029 0.000 0.714 102 V HN 0.605 8.795 8.190 0.000 0.000 0.487 103 Q N -0.314 119.407 119.800 -0.132 0.000 2.212 103 Q HA -0.113 4.222 4.340 -0.008 0.000 0.199 103 Q C 2.341 178.263 176.000 -0.131 0.000 0.950 103 Q CA 1.529 57.207 55.803 -0.208 0.000 0.863 103 Q CB -0.025 28.598 28.738 -0.192 0.000 0.944 103 Q HN 0.836 9.106 8.270 0.000 0.000 0.465 104 Q N 0.447 120.169 119.800 -0.130 0.000 2.083 104 Q HA -0.117 4.219 4.340 -0.008 0.000 0.198 104 Q C 1.982 177.883 176.000 -0.165 0.000 0.969 104 Q CA 0.722 56.458 55.803 -0.113 0.000 0.838 104 Q CB 0.091 28.785 28.738 -0.074 0.000 0.900 104 Q HN 0.371 8.641 8.270 0.000 0.000 0.436 105 L N 0.324 121.378 121.223 -0.282 0.000 2.042 105 L HA -0.230 4.106 4.340 -0.008 0.000 0.210 105 L C 2.570 179.335 176.870 -0.174 0.000 1.076 105 L CA 1.196 55.880 54.840 -0.261 0.000 0.749 105 L CB -0.718 41.110 42.059 -0.384 0.000 0.893 105 L HN 0.338 8.568 8.230 0.000 0.000 0.432 106 A N 0.046 122.773 122.820 -0.155 0.000 1.845 106 A HA -0.195 4.120 4.320 -0.008 0.000 0.215 106 A C 2.566 179.984 177.584 -0.277 0.000 1.195 106 A CA 1.837 53.786 52.037 -0.146 0.000 0.616 106 A CB -0.891 18.098 19.000 -0.018 0.000 0.832 106 A HN 0.402 8.552 8.150 0.000 0.000 0.443 107 A N -0.400 122.300 122.820 -0.201 0.000 1.903 107 A HA -0.261 4.054 4.320 -0.008 0.000 0.219 107 A C 1.911 179.367 177.584 -0.213 0.000 1.191 107 A CA 2.234 54.144 52.037 -0.212 0.000 0.638 107 A CB -0.631 18.317 19.000 -0.086 0.000 0.823 107 A HN 0.596 8.746 8.150 0.000 0.000 0.451 108 E N -1.469 118.657 120.200 -0.123 0.000 2.515 108 E HA -0.058 4.287 4.350 -0.008 0.000 0.201 108 E C -0.194 176.437 176.600 0.051 0.000 1.071 108 E CA 0.321 56.708 56.400 -0.022 0.000 0.880 108 E CB -0.498 29.186 29.700 -0.026 0.000 0.828 108 E HN 0.734 9.094 8.360 0.000 0.000 0.540 109 H N -1.546 117.513 119.070 -0.019 0.000 2.791 109 H HA -0.183 4.369 4.556 -0.006 0.000 0.302 109 H C -0.841 174.476 175.328 -0.018 0.000 1.198 109 H CA 0.682 56.721 56.048 -0.016 0.000 1.145 109 H CB -1.503 28.253 29.762 -0.011 0.000 1.385 109 H HN 0.185 8.465 8.280 0.000 0.000 0.409 110 L N 1.527 122.761 121.223 0.018 0.000 2.297 110 L HA 0.239 4.575 4.340 -0.008 0.000 0.277 110 L C 0.137 177.000 176.870 -0.012 0.000 1.040 110 L CA -0.090 54.753 54.840 0.005 0.000 0.867 110 L CB 1.021 43.069 42.059 -0.018 0.000 1.244 110 L HN 0.142 8.372 8.230 0.000 0.000 0.433 111 T N 4.041 118.602 114.554 0.011 0.000 2.762 111 T HA 0.306 4.651 4.350 -0.008 0.000 0.303 111 T C -2.380 172.335 174.700 0.025 0.000 0.977 111 T CA -1.326 60.778 62.100 0.008 0.000 0.961 111 T CB 0.986 69.861 68.868 0.011 0.000 0.944 111 T HN 0.232 8.472 8.240 0.000 0.000 0.481 112 P HA 0.254 4.674 4.420 0.000 0.000 0.271 112 P C 0.533 177.865 177.300 0.053 0.000 1.216 112 P CA -0.261 62.888 63.100 0.082 0.000 0.771 112 P CB 0.878 32.656 31.700 0.130 0.000 0.864 113 E N 1.234 121.454 120.200 0.033 0.000 2.153 113 E HA -0.124 4.221 4.350 -0.008 0.000 0.194 113 E C -0.225 176.199 176.600 -0.294 0.000 0.988 113 E CA 1.621 57.942 56.400 -0.131 0.000 0.811 113 E CB -0.312 29.269 29.700 -0.200 0.000 0.746 113 E HN 0.528 8.888 8.360 0.000 0.000 0.466 114 Y N -1.156 119.235 120.300 0.152 0.000 2.421 114 Y HA 0.498 5.043 4.550 -0.008 0.000 0.339 114 Y C -0.530 175.471 175.900 0.167 0.000 0.996 114 Y CA -0.785 57.449 58.100 0.223 0.000 1.046 114 Y CB 1.600 40.208 38.460 0.246 0.000 1.226 114 Y HN -0.223 8.057 8.280 0.000 0.000 0.445 115 I N 2.426 123.183 120.570 0.313 0.000 2.533 115 I HA 0.435 4.600 4.170 -0.008 0.000 0.290 115 I C -0.910 175.325 176.117 0.196 0.000 1.056 115 I CA -0.542 60.885 61.300 0.212 0.000 1.057 115 I CB 2.464 40.556 38.000 0.153 0.000 1.240 115 I HN 0.563 8.773 8.210 0.000 0.000 0.423 116 T N 6.688 121.331 114.554 0.148 0.000 2.786 116 T HA 0.546 4.891 4.350 -0.008 0.000 0.283 116 T C -0.124 174.623 174.700 0.080 0.000 0.992 116 T CA -0.319 61.854 62.100 0.121 0.000 0.954 116 T CB 0.977 69.908 68.868 0.105 0.000 0.934 116 T HN 0.253 8.493 8.240 0.000 0.000 0.440 117 I N 3.366 123.975 120.570 0.065 0.000 2.281 117 I HA 0.210 4.375 4.170 -0.008 0.000 0.293 117 I C 0.353 176.494 176.117 0.040 0.000 1.085 117 I CA -0.105 61.218 61.300 0.039 0.000 1.257 117 I CB 0.329 38.344 38.000 0.024 0.000 1.430 117 I HN 0.533 8.743 8.210 0.000 0.000 0.489 118 D N 8.164 128.586 120.400 0.036 0.000 2.472 118 D HA 0.312 4.948 4.640 -0.008 0.000 0.234 118 D C -0.793 175.529 176.300 0.037 0.000 1.088 118 D CA -0.346 53.678 54.000 0.040 0.000 0.882 118 D CB 1.083 41.908 40.800 0.041 0.000 1.037 118 D HN 0.213 8.583 8.370 0.000 0.000 0.520 119 I N 2.586 123.181 120.570 0.043 0.000 2.433 119 I HA 0.192 4.357 4.170 -0.008 0.000 0.292 119 I C 1.613 177.770 176.117 0.067 0.000 1.001 119 I CA -0.616 60.712 61.300 0.047 0.000 1.119 119 I CB 1.360 39.384 38.000 0.041 0.000 1.289 119 I HN 0.328 8.538 8.210 0.000 0.000 0.438 120 A N 5.570 128.430 122.820 0.067 0.000 1.894 120 A HA -0.237 4.078 4.320 -0.008 0.000 0.220 120 A C 1.271 178.941 177.584 0.144 0.000 1.237 120 A CA 1.738 53.824 52.037 0.081 0.000 0.660 120 A CB -0.737 18.301 19.000 0.064 0.000 0.835 120 A HN 0.828 8.978 8.150 0.000 0.000 0.461 121 H N -1.186 117.898 119.070 0.024 0.000 2.572 121 H HA 0.420 4.972 4.556 -0.008 0.000 0.248 121 H C 1.125 176.484 175.328 0.051 0.000 1.397 121 H CA -0.064 56.003 56.048 0.032 0.000 1.319 121 H CB 0.067 29.831 29.762 0.003 0.000 1.452 121 H HN 0.313 8.593 8.280 0.000 0.000 0.535 122 G N 1.609 110.504 108.800 0.159 0.000 2.920 122 G HA2 -0.148 3.807 3.960 -0.008 0.000 0.208 122 G HA3 -0.148 3.807 3.960 -0.008 0.000 0.208 122 G C 0.495 175.434 174.900 0.064 0.000 1.159 122 G CA -0.186 44.956 45.100 0.069 0.000 0.784 122 G HN 0.710 9.000 8.290 0.000 0.000 0.535 123 H N 1.225 120.243 119.070 -0.087 0.000 3.224 123 H HA 0.377 4.929 4.556 -0.008 0.000 0.265 123 H C -0.324 174.849 175.328 -0.258 0.000 1.461 123 H CA -0.099 55.873 56.048 -0.126 0.000 1.509 123 H CB -0.169 29.576 29.762 -0.028 0.000 1.686 123 H HN 0.284 8.564 8.280 0.000 0.000 0.514 124 S N 2.723 118.382 115.700 -0.068 0.000 2.565 124 S HA 0.099 4.564 4.470 -0.008 0.000 0.269 124 S C 0.483 175.055 174.600 -0.047 0.000 1.153 124 S CA -1.181 56.934 58.200 -0.141 0.000 0.835 124 S CB 1.253 64.353 63.200 -0.165 0.000 1.122 124 S HN 0.522 8.832 8.310 0.000 0.000 0.462 125 N N 1.488 120.156 118.700 -0.053 0.000 2.137 125 N HA -0.129 4.606 4.740 -0.008 0.000 0.190 125 N C 2.060 177.579 175.510 0.016 0.000 1.017 125 N CA 1.833 54.877 53.050 -0.009 0.000 0.859 125 N CB -1.102 37.378 38.487 -0.013 0.000 1.002 125 N HN 0.861 9.241 8.380 0.000 0.000 0.428 126 A N 0.731 123.555 122.820 0.005 0.000 1.927 126 A HA -0.149 4.166 4.320 -0.008 0.000 0.220 126 A C 2.538 180.147 177.584 0.041 0.000 1.185 126 A CA 1.719 53.779 52.037 0.038 0.000 0.639 126 A CB -0.777 18.236 19.000 0.023 0.000 0.820 126 A HN 0.156 8.306 8.150 0.000 0.000 0.451 127 V N -0.474 119.452 119.914 0.020 0.000 2.407 127 V HA -0.166 3.950 4.120 -0.008 0.000 0.245 127 V C 2.363 178.476 176.094 0.031 0.000 1.041 127 V CA 1.614 63.926 62.300 0.021 0.000 1.040 127 V CB -0.558 31.278 31.823 0.022 0.000 0.671 127 V HN 0.560 8.750 8.190 0.000 0.000 0.455 128 I N 0.889 121.483 120.570 0.039 0.000 2.194 128 I HA -0.288 3.877 4.170 -0.008 0.000 0.246 128 I C 2.306 178.462 176.117 0.064 0.000 1.093 128 I CA 1.660 62.987 61.300 0.044 0.000 1.355 128 I CB -0.500 37.525 38.000 0.042 0.000 1.046 128 I HN 0.349 8.559 8.210 0.000 0.000 0.413 129 N N 0.098 118.850 118.700 0.087 0.000 2.188 129 N HA -0.183 4.553 4.740 -0.008 0.000 0.184 129 N C 1.754 177.362 175.510 0.164 0.000 1.018 129 N CA 1.266 54.406 53.050 0.150 0.000 0.858 129 N CB -0.327 38.274 38.487 0.190 0.000 0.989 129 N HN 0.266 8.646 8.380 0.000 0.000 0.426 130 M N 0.594 120.227 119.600 0.055 0.000 2.254 130 M HA 0.129 4.604 4.480 -0.008 0.000 0.265 130 M C 1.590 177.910 176.300 0.034 0.000 1.066 130 M CA 0.938 56.201 55.300 -0.061 0.000 1.123 130 M CB -0.229 32.275 32.600 -0.159 0.000 1.388 130 M HN 0.028 8.318 8.290 0.000 0.000 0.425 131 I N -0.265 120.328 120.570 0.039 0.000 2.113 131 I HA -0.365 3.800 4.170 -0.008 0.000 0.238 131 I C 2.309 178.458 176.117 0.053 0.000 1.070 131 I CA 1.551 62.870 61.300 0.031 0.000 1.332 131 I CB -0.656 37.351 38.000 0.012 0.000 1.044 131 I HN 0.357 8.567 8.210 0.000 0.000 0.402 132 Q N -0.244 119.602 119.800 0.076 0.000 2.045 132 Q HA -0.325 4.011 4.340 -0.008 0.000 0.206 132 Q C 2.230 178.308 176.000 0.131 0.000 0.991 132 Q CA 2.278 58.133 55.803 0.086 0.000 0.851 132 Q CB -0.528 28.267 28.738 0.096 0.000 0.911 132 Q HN 0.525 8.795 8.270 0.000 0.000 0.418 133 H N 0.333 119.463 119.070 0.100 0.000 2.357 133 H HA -0.161 4.391 4.556 -0.007 0.000 0.296 133 H C 1.699 177.109 175.328 0.137 0.000 1.108 133 H CA 1.997 58.137 56.048 0.153 0.000 1.273 133 H CB -0.049 29.800 29.762 0.145 0.000 1.367 133 H HN 0.204 8.484 8.280 0.000 0.000 0.498 134 I N -0.470 120.145 120.570 0.074 0.000 2.400 134 I HA -0.167 3.999 4.170 -0.008 0.000 0.248 134 I C 2.139 178.244 176.117 -0.021 0.000 1.109 134 I CA 0.527 61.830 61.300 0.005 0.000 1.425 134 I CB -0.116 37.903 38.000 0.031 0.000 1.094 134 I HN 0.107 8.317 8.210 0.000 0.000 0.425 135 K N 1.026 121.419 120.400 -0.013 0.000 2.103 135 K HA -0.219 4.096 4.320 -0.008 0.000 0.207 135 K C 1.991 178.555 176.600 -0.060 0.000 1.048 135 K CA 1.377 57.643 56.287 -0.034 0.000 0.930 135 K CB -0.388 32.094 32.500 -0.030 0.000 0.716 135 K HN 0.099 8.349 8.250 0.000 0.000 0.444 136 K N 0.215 120.574 120.400 -0.068 0.000 2.001 136 K HA -0.105 4.211 4.320 -0.008 0.000 0.208 136 K C 2.002 178.421 176.600 -0.301 0.000 1.048 136 K CA 1.614 57.804 56.287 -0.163 0.000 0.932 136 K CB -0.238 32.181 32.500 -0.136 0.000 0.715 136 K HN 0.246 8.496 8.250 0.000 0.000 0.437 137 H N -1.326 117.608 119.070 -0.225 0.000 2.448 137 H HA 0.260 4.811 4.556 -0.008 0.000 0.292 137 H C -0.127 175.112 175.328 -0.147 0.000 1.035 137 H CA 1.015 56.935 56.048 -0.213 0.000 1.349 137 H CB 0.375 29.947 29.762 -0.317 0.000 1.425 137 H HN -0.007 8.273 8.280 0.000 0.000 0.539 138 L N 2.052 123.254 121.223 -0.034 0.000 2.594 138 L HA 0.243 4.578 4.340 -0.008 0.000 0.245 138 L C -1.852 174.998 176.870 -0.034 0.000 1.460 138 L CA -1.112 53.708 54.840 -0.034 0.000 0.865 138 L CB 1.841 43.884 42.059 -0.026 0.000 1.131 138 L HN 0.052 8.282 8.230 0.000 0.000 0.506 139 P HA -0.119 4.301 4.420 0.000 0.000 0.231 139 P C 0.740 178.025 177.300 -0.025 0.000 1.158 139 P CA 0.973 64.049 63.100 -0.040 0.000 0.763 139 P CB 0.610 32.282 31.700 -0.047 0.000 0.805 140 E N -0.767 119.425 120.200 -0.014 0.000 2.498 140 E HA 0.153 4.498 4.350 -0.008 0.000 0.203 140 E C 0.115 176.719 176.600 0.006 0.000 1.013 140 E CA 0.031 56.431 56.400 -0.000 0.000 0.927 140 E CB -0.075 29.628 29.700 0.004 0.000 1.012 140 E HN 0.004 8.364 8.360 0.000 0.000 0.482 141 S N 0.689 116.390 115.700 0.002 0.000 2.474 141 S HA 0.213 4.679 4.470 -0.008 0.000 0.276 141 S C -0.400 174.218 174.600 0.030 0.000 1.227 141 S CA -0.548 57.660 58.200 0.014 0.000 1.050 141 S CB 0.004 63.219 63.200 0.025 0.000 0.939 141 S HN 0.245 8.555 8.310 0.000 0.000 0.490 142 F N 5.117 124.986 119.950 -0.134 0.000 2.541 142 F HA 0.277 4.799 4.527 -0.008 0.000 0.378 142 F C -0.146 175.688 175.800 0.056 0.000 1.068 142 F CA -0.081 57.874 58.000 -0.075 0.000 1.199 142 F CB 0.369 39.239 39.000 -0.217 0.000 1.091 142 F HN 0.207 8.507 8.300 0.000 0.000 0.555 143 V N 8.459 128.205 119.914 -0.280 0.000 2.370 143 V HA 0.325 4.441 4.120 -0.008 0.000 0.283 143 V C 0.123 176.156 176.094 -0.102 0.000 1.023 143 V CA -0.706 61.539 62.300 -0.091 0.000 0.857 143 V CB 1.403 33.172 31.823 -0.090 0.000 0.985 143 V HN 0.538 8.728 8.190 0.000 0.000 0.443 144 I N 4.469 125.107 120.570 0.113 0.000 2.354 144 I HA 0.752 4.918 4.170 -0.008 0.000 0.292 144 I C 0.290 176.455 176.117 0.080 0.000 0.989 144 I CA -0.260 61.125 61.300 0.141 0.000 1.188 144 I CB 1.703 39.861 38.000 0.263 0.000 1.342 144 I HN 0.666 8.876 8.210 0.000 0.000 0.457 145 A N 4.429 127.277 122.820 0.046 0.000 2.401 145 A HA 1.009 5.324 4.320 -0.008 0.000 0.310 145 A C -0.133 177.473 177.584 0.037 0.000 1.075 145 A CA -0.226 51.831 52.037 0.034 0.000 0.746 145 A CB 1.725 20.731 19.000 0.010 0.000 1.277 145 A HN 0.926 9.076 8.150 0.000 0.000 0.425 146 G N 0.612 109.436 108.800 0.041 0.000 2.336 146 G HA2 0.376 4.331 3.960 -0.008 0.000 0.286 146 G HA3 0.376 4.331 3.960 -0.008 0.000 0.286 146 G C -1.626 173.308 174.900 0.056 0.000 1.269 146 G CA -0.860 44.267 45.100 0.045 0.000 0.873 146 G HN 0.754 9.044 8.290 0.000 0.000 0.494 147 N N -0.448 118.293 118.700 0.069 0.000 2.509 147 N HA 0.672 5.407 4.740 -0.008 0.000 0.287 147 N C 0.218 175.778 175.510 0.084 0.000 1.121 147 N CA 0.092 53.182 53.050 0.066 0.000 0.977 147 N CB 1.830 40.355 38.487 0.063 0.000 1.167 147 N HN 0.985 9.365 8.380 0.000 0.000 0.476 148 V N -2.238 117.706 119.914 0.049 0.000 3.141 148 V HA 0.947 5.062 4.120 -0.008 0.000 0.312 148 V C 0.633 176.740 176.094 0.023 0.000 1.157 148 V CA -0.796 61.529 62.300 0.042 0.000 1.041 148 V CB 1.661 33.457 31.823 -0.046 0.000 1.071 148 V HN 0.620 8.810 8.190 0.000 0.000 0.441 149 G N 0.176 109.002 108.800 0.043 0.000 3.815 149 G HA2 0.498 4.453 3.960 -0.008 0.000 0.265 149 G HA3 0.498 4.453 3.960 -0.008 0.000 0.265 149 G C 0.246 175.217 174.900 0.118 0.000 1.026 149 G CA 0.611 45.743 45.100 0.053 0.000 0.868 149 G HN 1.270 9.560 8.290 0.000 0.000 0.476 150 T N -3.028 111.524 114.554 -0.004 0.000 2.906 150 T HA 0.595 4.940 4.350 -0.008 0.000 0.295 150 T C -2.404 172.056 174.700 -0.399 0.000 1.061 150 T CA -1.663 60.363 62.100 -0.123 0.000 1.000 150 T CB 3.067 71.975 68.868 0.066 0.000 1.103 150 T HN -0.203 8.037 8.240 0.000 0.000 0.486 151 P HA -0.075 4.345 4.420 0.000 0.000 0.216 151 P C 1.340 178.449 177.300 -0.320 0.000 1.150 151 P CA 1.025 63.801 63.100 -0.540 0.000 0.837 151 P CB 0.183 31.465 31.700 -0.697 0.000 0.786 152 E N -0.130 119.914 120.200 -0.260 0.000 2.110 152 E HA -0.184 4.161 4.350 -0.008 0.000 0.193 152 E C 1.893 178.335 176.600 -0.264 0.000 0.988 152 E CA 1.307 57.621 56.400 -0.143 0.000 0.804 152 E CB -0.543 29.159 29.700 0.003 0.000 0.745 152 E HN 0.084 8.444 8.360 0.000 0.000 0.458 153 A N 0.377 122.897 122.820 -0.501 0.000 1.897 153 A HA -0.074 4.242 4.320 -0.008 0.000 0.215 153 A C 2.397 179.747 177.584 -0.391 0.000 1.181 153 A CA 1.157 52.642 52.037 -0.920 0.000 0.620 153 A CB -0.555 17.946 19.000 -0.832 0.000 0.821 153 A HN 0.218 8.368 8.150 0.000 0.000 0.443 154 V N 0.033 119.786 119.914 -0.268 0.000 2.332 154 V HA -0.301 3.815 4.120 -0.008 0.000 0.248 154 V C 2.671 178.690 176.094 -0.126 0.000 1.055 154 V CA 2.423 64.622 62.300 -0.168 0.000 1.038 154 V CB -0.800 30.925 31.823 -0.162 0.000 0.651 154 V HN 0.530 8.720 8.190 0.000 0.000 0.450 155 R N -0.278 120.146 120.500 -0.127 0.000 2.081 155 R HA -0.191 4.144 4.340 -0.008 0.000 0.235 155 R C 2.427 178.696 176.300 -0.051 0.000 1.131 155 R CA 1.878 57.932 56.100 -0.077 0.000 0.960 155 R CB -0.264 29.997 30.300 -0.066 0.000 0.856 155 R HN 0.694 8.964 8.270 0.000 0.000 0.436 156 E N 0.247 120.417 120.200 -0.051 0.000 2.112 156 E HA -0.147 4.199 4.350 -0.008 0.000 0.190 156 E C 1.594 178.196 176.600 0.003 0.000 0.979 156 E CA 0.627 57.031 56.400 0.006 0.000 0.814 156 E CB 0.151 29.901 29.700 0.083 0.000 0.762 156 E HN 0.075 8.435 8.360 0.000 0.000 0.460 157 L N 1.627 122.835 121.223 -0.026 0.000 2.017 157 L HA -0.163 4.173 4.340 -0.008 0.000 0.208 157 L C 2.194 179.046 176.870 -0.029 0.000 1.073 157 L CA 1.818 56.647 54.840 -0.019 0.000 0.745 157 L CB -0.591 41.450 42.059 -0.030 0.000 0.894 157 L HN 0.171 8.401 8.230 0.000 0.000 0.432 158 E N -0.575 119.601 120.200 -0.041 0.000 2.077 158 E HA -0.207 4.138 4.350 -0.008 0.000 0.193 158 E C 1.792 178.373 176.600 -0.032 0.000 0.989 158 E CA 1.152 57.527 56.400 -0.042 0.000 0.800 158 E CB -0.207 29.469 29.700 -0.041 0.000 0.746 158 E HN 0.507 8.867 8.360 0.000 0.000 0.452 159 N N 0.857 119.543 118.700 -0.022 0.000 2.309 159 N HA -0.105 4.630 4.740 -0.008 0.000 0.182 159 N C 1.465 176.970 175.510 -0.007 0.000 1.018 159 N CA 1.074 54.116 53.050 -0.013 0.000 0.876 159 N CB -0.227 38.256 38.487 -0.006 0.000 0.972 159 N HN 0.127 8.507 8.380 0.000 0.000 0.434 160 A N -0.198 122.619 122.820 -0.005 0.000 2.168 160 A HA 0.352 4.667 4.320 -0.008 0.000 0.215 160 A C 1.506 179.084 177.584 -0.009 0.000 1.152 160 A CA 1.127 53.166 52.037 0.002 0.000 0.716 160 A CB -0.258 18.750 19.000 0.013 0.000 0.794 160 A HN 0.347 8.497 8.150 0.000 0.000 0.465 161 G N -2.554 106.230 108.800 -0.028 0.000 2.148 161 G HA2 0.229 4.184 3.960 -0.008 0.000 0.157 161 G HA3 0.229 4.184 3.960 -0.008 0.000 0.157 161 G C 0.254 175.103 174.900 -0.085 0.000 1.012 161 G CA 0.026 45.097 45.100 -0.048 0.000 0.677 161 G HN 1.404 9.694 8.290 0.000 0.000 0.506 162 A N 0.197 122.967 122.820 -0.084 0.000 2.425 162 A HA 0.561 4.876 4.320 -0.008 0.000 0.249 162 A C 1.119 178.582 177.584 -0.202 0.000 1.084 162 A CA 0.670 52.632 52.037 -0.125 0.000 0.781 162 A CB 0.349 19.303 19.000 -0.077 0.000 1.019 162 A HN 0.200 8.350 8.150 0.000 0.000 0.490 163 D N 0.569 120.729 120.400 -0.400 0.000 2.289 163 D HA 0.287 4.922 4.640 -0.008 0.000 0.207 163 D C 0.586 176.679 176.300 -0.344 0.000 0.966 163 D CA 1.627 55.242 54.000 -0.642 0.000 0.868 163 D CB 0.326 40.096 40.800 -1.716 0.000 0.943 163 D HN 0.709 9.079 8.370 0.000 0.000 0.514 164 A N 0.178 122.901 122.820 -0.161 0.000 2.604 164 A HA 0.537 4.853 4.320 -0.008 0.000 0.295 164 A C -0.581 177.030 177.584 0.046 0.000 1.067 164 A CA -0.669 51.416 52.037 0.079 0.000 0.683 164 A CB 1.534 20.732 19.000 0.329 0.000 1.281 164 A HN -0.009 8.141 8.150 0.000 0.000 0.407 165 T N -1.070 113.513 114.554 0.049 0.000 2.887 165 T HA 0.721 5.067 4.350 -0.008 0.000 0.288 165 T C -0.567 174.162 174.700 0.048 0.000 1.021 165 T CA -0.718 61.400 62.100 0.030 0.000 1.000 165 T CB 1.655 70.518 68.868 -0.008 0.000 1.034 165 T HN 0.713 8.953 8.240 0.000 0.000 0.467 166 K N 2.014 122.442 120.400 0.046 0.000 2.263 166 K HA 0.594 4.910 4.320 -0.008 0.000 0.272 166 K C -1.265 175.354 176.600 0.032 0.000 1.033 166 K CA -0.718 55.601 56.287 0.052 0.000 0.884 166 K CB 0.931 33.471 32.500 0.066 0.000 1.107 166 K HN 0.550 8.800 8.250 0.000 0.000 0.460 167 V N 3.258 123.187 119.914 0.026 0.000 2.398 167 V HA 0.788 4.904 4.120 -0.008 0.000 0.286 167 V C 0.092 176.185 176.094 -0.001 0.000 1.026 167 V CA -0.280 62.020 62.300 0.001 0.000 0.868 167 V CB 1.222 33.036 31.823 -0.016 0.000 0.982 167 V HN 0.964 9.154 8.190 0.000 0.000 0.443 168 G N 5.462 114.252 108.800 -0.016 0.000 2.196 168 G HA2 0.244 4.200 3.960 -0.008 0.000 0.215 168 G HA3 0.244 4.200 3.960 -0.008 0.000 0.215 168 G C -1.476 173.421 174.900 -0.005 0.000 1.640 168 G CA -0.811 44.273 45.100 -0.028 0.000 0.946 168 G HN 0.393 8.683 8.290 0.000 0.000 0.710 169 I N 2.583 123.140 120.570 -0.022 0.000 2.495 169 I HA 0.474 4.640 4.170 -0.008 0.000 0.277 169 I C 1.246 177.376 176.117 0.022 0.000 1.045 169 I CA 0.583 61.894 61.300 0.017 0.000 1.135 169 I CB 0.591 38.616 38.000 0.042 0.000 1.241 169 I HN 1.768 9.978 8.210 0.000 0.000 0.469 170 G N 7.790 116.607 108.800 0.029 0.000 2.155 170 G HA2 -0.188 3.767 3.960 -0.008 0.000 0.257 170 G HA3 -0.188 3.767 3.960 -0.008 0.000 0.257 170 G C -1.265 173.656 174.900 0.035 0.000 0.983 170 G CA 0.080 45.202 45.100 0.037 0.000 0.676 170 G HN 0.503 8.793 8.290 0.000 0.000 0.528 171 P HA 0.198 4.618 4.420 0.000 0.000 0.249 171 P C 1.351 178.686 177.300 0.058 0.000 1.229 171 P CA 0.894 64.017 63.100 0.038 0.000 0.788 171 P CB -0.037 31.680 31.700 0.029 0.000 1.072 172 G N 1.182 110.013 108.800 0.053 0.000 2.484 172 G HA2 -0.090 3.866 3.960 -0.008 0.000 0.235 172 G HA3 -0.090 3.866 3.960 -0.008 0.000 0.235 172 G C 0.964 175.908 174.900 0.072 0.000 1.282 172 G CA -0.265 44.875 45.100 0.067 0.000 0.857 172 G HN 0.072 8.362 8.290 0.000 0.000 0.571 173 K N 0.261 120.727 120.400 0.109 0.000 2.074 173 K HA -0.152 4.164 4.320 -0.008 0.000 0.209 173 K C 2.299 178.941 176.600 0.070 0.000 1.048 173 K CA 1.869 58.224 56.287 0.112 0.000 0.926 173 K CB -0.166 32.437 32.500 0.171 0.000 0.713 173 K HN 0.477 8.727 8.250 0.000 0.000 0.444 174 V N -1.437 118.487 119.914 0.016 0.000 3.577 174 V HA 0.144 4.259 4.120 -0.008 0.000 0.294 174 V C 0.511 176.574 176.094 -0.051 0.000 1.317 174 V CA -0.685 61.573 62.300 -0.070 0.000 1.169 174 V CB -0.831 30.833 31.823 -0.265 0.000 1.011 174 V HN 0.224 8.414 8.190 0.000 0.000 0.426 175 C N 0.245 119.539 119.300 -0.011 0.000 2.401 175 C HA 0.629 5.084 4.460 -0.008 0.000 0.365 175 C C 1.055 176.053 174.990 0.013 0.000 1.250 175 C CA -0.473 58.543 59.018 -0.002 0.000 2.131 175 C CB 0.756 28.502 27.740 0.011 0.000 2.445 175 C HN 0.655 8.885 8.230 0.000 0.000 0.550 176 I N 3.853 124.431 120.570 0.012 0.000 4.225 176 I HA 0.033 4.198 4.170 -0.008 0.000 0.327 176 I C 1.714 177.849 176.117 0.030 0.000 1.422 176 I CA 0.245 61.557 61.300 0.019 0.000 1.150 176 I CB 0.213 38.218 38.000 0.008 0.000 1.192 176 I HN 0.816 9.026 8.210 0.000 0.000 0.440 177 T N 1.927 116.502 114.554 0.035 0.000 2.699 177 T HA -0.235 4.110 4.350 -0.008 0.000 0.268 177 T C 1.939 176.684 174.700 0.075 0.000 1.036 177 T CA 2.070 64.200 62.100 0.050 0.000 1.147 177 T CB -0.147 68.749 68.868 0.048 0.000 0.862 177 T HN 0.509 8.749 8.240 0.000 0.000 0.446 178 K N 1.040 121.485 120.400 0.074 0.000 2.103 178 K HA -0.069 4.247 4.320 -0.008 0.000 0.207 178 K C 2.147 178.785 176.600 0.064 0.000 1.048 178 K CA 1.567 57.903 56.287 0.082 0.000 0.930 178 K CB -0.491 32.057 32.500 0.081 0.000 0.716 178 K HN 0.334 8.584 8.250 0.000 0.000 0.444 179 I N 0.730 121.330 120.570 0.050 0.000 2.400 179 I HA -0.126 4.039 4.170 -0.008 0.000 0.248 179 I C 1.969 178.110 176.117 0.040 0.000 1.109 179 I CA 0.694 62.017 61.300 0.038 0.000 1.425 179 I CB 0.001 38.018 38.000 0.028 0.000 1.094 179 I HN 0.062 8.272 8.210 0.000 0.000 0.425 180 K N 0.282 120.709 120.400 0.045 0.000 2.167 180 K HA 0.006 4.321 4.320 -0.008 0.000 0.203 180 K C 1.863 178.503 176.600 0.067 0.000 1.052 180 K CA 1.649 57.963 56.287 0.045 0.000 0.956 180 K CB -0.545 31.976 32.500 0.035 0.000 0.735 180 K HN 0.442 8.692 8.250 0.000 0.000 0.451 181 T N -5.317 109.298 114.554 0.102 0.000 2.954 181 T HA 0.253 4.599 4.350 -0.008 0.000 0.252 181 T C 1.310 176.161 174.700 0.250 0.000 0.983 181 T CA 0.616 62.821 62.100 0.175 0.000 0.941 181 T CB 0.551 69.534 68.868 0.192 0.000 1.141 181 T HN 0.188 8.428 8.240 0.000 0.000 0.500 182 G N 1.110 109.996 108.800 0.144 0.000 2.136 182 G HA2 -0.181 3.775 3.960 -0.008 0.000 0.242 182 G HA3 -0.181 3.775 3.960 -0.008 0.000 0.242 182 G C -0.194 174.663 174.900 -0.071 0.000 0.989 182 G CA 0.014 45.128 45.100 0.023 0.000 0.682 182 G HN 0.565 8.855 8.290 0.000 0.000 0.522 183 F N 0.169 120.137 119.950 0.031 0.000 2.522 183 F HA 0.697 5.219 4.527 -0.008 0.000 0.324 183 F C 0.915 176.761 175.800 0.078 0.000 1.077 183 F CA 0.734 58.761 58.000 0.045 0.000 0.944 183 F CB 2.237 41.235 39.000 -0.002 0.000 1.175 183 F HN 0.741 9.041 8.300 0.000 0.000 0.468 184 G N 0.664 109.656 108.800 0.319 0.000 2.315 184 G HA2 0.047 4.002 3.960 -0.008 0.000 0.296 184 G HA3 0.047 4.002 3.960 -0.008 0.000 0.296 184 G C 0.094 175.184 174.900 0.316 0.000 1.289 184 G CA -0.244 45.019 45.100 0.270 0.000 0.996 184 G HN 0.864 9.154 8.290 0.000 0.000 0.487 185 T N -1.251 113.291 114.554 -0.019 0.000 3.144 185 T HA 0.497 4.843 4.350 -0.008 0.000 0.249 185 T C 1.319 175.796 174.700 -0.372 0.000 1.089 185 T CA 1.187 62.929 62.100 -0.596 0.000 0.989 185 T CB 0.144 68.573 68.868 -0.731 0.000 0.992 185 T HN 1.862 10.102 8.240 0.000 0.000 0.540 186 G N -0.004 108.799 108.800 0.005 0.000 2.340 186 G HA2 0.413 4.369 3.960 -0.008 0.000 0.245 186 G HA3 0.413 4.369 3.960 -0.008 0.000 0.245 186 G C 1.149 176.167 174.900 0.198 0.000 1.294 186 G CA -0.062 45.083 45.100 0.075 0.000 0.896 186 G HN 1.110 9.400 8.290 0.000 0.000 0.522 187 G N 1.656 110.549 108.800 0.155 0.000 2.195 187 G HA2 -0.220 3.735 3.960 -0.008 0.000 0.246 187 G HA3 -0.220 3.735 3.960 -0.008 0.000 0.246 187 G C 0.743 175.793 174.900 0.250 0.000 0.984 187 G CA 0.890 46.106 45.100 0.193 0.000 0.633 187 G HN 1.723 10.013 8.290 0.000 0.000 0.525 188 W N -0.176 121.071 121.300 -0.088 0.000 1.093 188 W HA 0.506 5.162 4.660 -0.007 0.000 0.215 188 W C 0.637 177.018 176.519 -0.231 0.000 0.789 188 W CA 0.389 57.613 57.345 -0.202 0.000 1.438 188 W CB -0.890 28.424 29.460 -0.244 0.000 0.864 188 W HN 0.216 8.396 8.180 0.000 0.000 0.402 189 Q N 2.183 121.748 119.800 -0.391 0.000 2.096 189 Q HA -0.252 4.084 4.340 -0.008 0.000 0.208 189 Q C 1.983 177.695 176.000 -0.481 0.000 0.993 189 Q CA 2.911 58.460 55.803 -0.424 0.000 0.862 189 Q CB -0.486 28.183 28.738 -0.114 0.000 0.915 189 Q HN 0.328 8.598 8.270 0.000 0.000 0.416 190 L N -0.231 120.614 121.223 -0.631 0.000 2.156 190 L HA 0.116 4.451 4.340 -0.008 0.000 0.208 190 L C 2.032 178.505 176.870 -0.661 0.000 1.095 190 L CA 2.068 56.467 54.840 -0.734 0.000 0.770 190 L CB -1.024 40.491 42.059 -0.907 0.000 0.914 190 L HN 0.285 8.515 8.230 0.000 0.000 0.439 191 A N -0.660 121.653 122.820 -0.846 0.000 1.929 191 A HA 0.066 4.381 4.320 -0.008 0.000 0.216 191 A C 2.420 179.789 177.584 -0.357 0.000 1.176 191 A CA 1.233 52.715 52.037 -0.925 0.000 0.628 191 A CB -0.943 17.422 19.000 -1.059 0.000 0.816 191 A HN 0.496 8.646 8.150 0.000 0.000 0.444 192 A N -0.430 122.135 122.820 -0.424 0.000 1.972 192 A HA -0.022 4.294 4.320 -0.008 0.000 0.219 192 A C 2.106 179.722 177.584 0.054 0.000 1.169 192 A CA 1.654 53.513 52.037 -0.297 0.000 0.635 192 A CB -0.513 17.858 19.000 -1.048 0.000 0.810 192 A HN 0.623 8.773 8.150 0.000 0.000 0.446 193 L N -0.257 120.901 121.223 -0.108 0.000 2.023 193 L HA -0.060 4.275 4.340 -0.008 0.000 0.205 193 L C 2.450 179.363 176.870 0.072 0.000 1.073 193 L CA 2.335 57.166 54.840 -0.015 0.000 0.745 193 L CB -0.567 41.482 42.059 -0.017 0.000 0.900 193 L HN 0.455 8.685 8.230 0.000 0.000 0.435 194 R N -0.498 120.032 120.500 0.050 0.000 2.140 194 R HA -0.264 4.071 4.340 -0.008 0.000 0.250 194 R C 2.255 178.693 176.300 0.229 0.000 1.150 194 R CA 2.653 58.860 56.100 0.178 0.000 0.966 194 R CB -0.786 29.579 30.300 0.109 0.000 0.869 194 R HN 0.786 9.056 8.270 0.000 0.000 0.445 195 W N -0.240 121.050 121.300 -0.017 0.000 2.539 195 W HA -0.010 4.645 4.660 -0.007 0.000 0.281 195 W C 1.492 178.023 176.519 0.021 0.000 1.220 195 W CA 0.392 57.749 57.345 0.020 0.000 1.332 195 W CB -1.140 28.344 29.460 0.041 0.000 1.095 195 W HN 0.105 8.285 8.180 0.000 0.000 0.571 196 C N 2.191 121.331 119.300 -0.266 0.000 2.429 196 C HA -0.011 4.445 4.460 -0.008 0.000 0.277 196 C C 3.406 178.313 174.990 -0.138 0.000 1.262 196 C CA 2.271 61.096 59.018 -0.322 0.000 1.733 196 C CB -1.480 26.124 27.740 -0.225 0.000 2.010 196 C HN 0.491 8.721 8.230 0.000 0.000 0.483 197 A N 0.560 123.364 122.820 -0.027 0.000 1.908 197 A HA -0.235 4.080 4.320 -0.008 0.000 0.218 197 A C 1.985 179.583 177.584 0.023 0.000 1.181 197 A CA 2.041 54.089 52.037 0.018 0.000 0.627 197 A CB -0.494 18.550 19.000 0.074 0.000 0.818 197 A HN 0.515 8.665 8.150 0.000 0.000 0.445 198 K N -0.360 120.066 120.400 0.044 0.000 2.218 198 K HA -0.068 4.247 4.320 -0.008 0.000 0.205 198 K C 1.395 177.997 176.600 0.004 0.000 1.046 198 K CA 1.360 57.679 56.287 0.052 0.000 0.933 198 K CB -0.325 32.232 32.500 0.095 0.000 0.728 198 K HN 0.487 8.737 8.250 0.000 0.000 0.454 199 A N -1.359 121.432 122.820 -0.049 0.000 2.538 199 A HA 0.574 4.889 4.320 -0.008 0.000 0.269 199 A C 0.128 177.675 177.584 -0.061 0.000 1.231 199 A CA 0.026 52.022 52.037 -0.069 0.000 0.948 199 A CB 0.320 19.238 19.000 -0.137 0.000 1.110 199 A HN 0.135 8.285 8.150 0.000 0.000 0.529 200 A N -0.398 122.398 122.820 -0.040 0.000 2.305 200 A HA 0.627 4.942 4.320 -0.008 0.000 0.322 200 A C 0.816 178.394 177.584 -0.010 0.000 1.187 200 A CA -0.050 51.968 52.037 -0.033 0.000 0.825 200 A CB 0.810 19.796 19.000 -0.024 0.000 1.164 200 A HN 0.201 8.351 8.150 0.000 0.000 0.498 201 S N 0.648 116.343 115.700 -0.009 0.000 2.503 201 S HA 0.117 4.582 4.470 -0.008 0.000 0.215 201 S C 0.567 175.176 174.600 0.016 0.000 1.003 201 S CA 0.553 58.755 58.200 0.003 0.000 0.910 201 S CB -0.000 63.198 63.200 -0.003 0.000 0.790 201 S HN 0.644 8.954 8.310 0.000 0.000 0.514 202 K N 1.460 121.870 120.400 0.016 0.000 2.221 202 K HA 0.513 4.829 4.320 -0.008 0.000 0.243 202 K C -3.020 173.617 176.600 0.062 0.000 0.968 202 K CA -2.344 53.968 56.287 0.041 0.000 0.846 202 K CB 0.372 32.881 32.500 0.015 0.000 1.141 202 K HN -0.200 8.050 8.250 0.000 0.000 0.434 203 P HA 0.011 4.431 4.420 0.000 0.000 0.264 203 P C -0.704 176.649 177.300 0.088 0.000 1.183 203 P CA 0.371 63.533 63.100 0.104 0.000 0.763 203 P CB 0.340 32.129 31.700 0.149 0.000 0.807 204 I N 3.705 124.314 120.570 0.065 0.000 2.412 204 I HA 0.296 4.461 4.170 -0.008 0.000 0.296 204 I C 0.235 176.391 176.117 0.065 0.000 0.987 204 I CA -0.625 60.709 61.300 0.056 0.000 1.180 204 I CB 1.075 39.099 38.000 0.040 0.000 1.340 204 I HN 0.144 8.354 8.210 0.000 0.000 0.455 205 I N 6.257 126.871 120.570 0.072 0.000 2.297 205 I HA 0.340 4.505 4.170 -0.008 0.000 0.291 205 I C 0.470 176.631 176.117 0.074 0.000 1.033 205 I CA -0.408 60.939 61.300 0.078 0.000 1.253 205 I CB 1.174 39.233 38.000 0.098 0.000 1.396 205 I HN 0.565 8.775 8.210 0.000 0.000 0.476 206 A N 4.971 127.840 122.820 0.083 0.000 2.396 206 A HA 0.210 4.525 4.320 -0.008 0.000 0.279 206 A C -0.323 177.316 177.584 0.091 0.000 1.165 206 A CA -0.087 52.005 52.037 0.092 0.000 0.824 206 A CB 0.004 19.084 19.000 0.134 0.000 1.100 206 A HN 0.674 8.824 8.150 0.000 0.000 0.516 207 D N 2.071 122.516 120.400 0.075 0.000 2.453 207 D HA 0.530 5.165 4.640 -0.008 0.000 0.238 207 D C 0.210 176.550 176.300 0.067 0.000 1.088 207 D CA 1.128 55.169 54.000 0.070 0.000 0.854 207 D CB 0.727 41.564 40.800 0.060 0.000 1.076 207 D HN 1.280 9.650 8.370 0.000 0.000 0.533 208 G N 1.563 110.404 108.800 0.069 0.000 2.587 208 G HA2 0.434 4.389 3.960 -0.008 0.000 0.686 208 G HA3 0.434 4.389 3.960 -0.008 0.000 0.686 208 G C 0.676 175.626 174.900 0.082 0.000 1.236 208 G CA 0.061 45.200 45.100 0.065 0.000 0.820 208 G HN 1.339 9.629 8.290 0.000 0.000 0.645 209 G N -0.835 108.003 108.800 0.064 0.000 2.241 209 G HA2 -0.132 3.823 3.960 -0.008 0.000 0.244 209 G HA3 -0.132 3.823 3.960 -0.008 0.000 0.244 209 G C 0.670 175.490 174.900 -0.133 0.000 0.998 209 G CA 0.561 45.716 45.100 0.092 0.000 0.621 209 G HN 1.716 10.006 8.290 0.000 0.000 0.519 210 I N 1.403 121.810 120.570 -0.273 0.000 2.664 210 I HA 0.214 4.379 4.170 -0.008 0.000 0.284 210 I C 1.371 177.348 176.117 -0.232 0.000 1.154 210 I CA 0.518 61.559 61.300 -0.430 0.000 1.402 210 I CB 0.877 38.693 38.000 -0.305 0.000 1.395 210 I HN 0.109 8.319 8.210 0.000 0.000 0.545 211 R N 3.331 123.711 120.500 -0.199 0.000 2.394 211 R HA 0.152 4.488 4.340 -0.008 0.000 0.220 211 R C 0.490 176.755 176.300 -0.059 0.000 0.887 211 R CA 0.353 56.406 56.100 -0.080 0.000 1.034 211 R CB 0.434 30.739 30.300 0.009 0.000 1.179 211 R HN 0.769 9.039 8.270 0.000 0.000 0.561 212 T N -2.563 111.951 114.554 -0.066 0.000 2.883 212 T HA 0.357 4.702 4.350 -0.008 0.000 0.296 212 T C 0.511 175.171 174.700 -0.067 0.000 1.117 212 T CA -0.789 61.296 62.100 -0.025 0.000 1.006 212 T CB 1.770 70.680 68.868 0.068 0.000 1.191 212 T HN -0.255 7.985 8.240 0.000 0.000 0.508 213 N N 0.511 119.184 118.700 -0.045 0.000 2.331 213 N HA 0.041 4.777 4.740 -0.008 0.000 0.180 213 N C 2.165 177.670 175.510 -0.009 0.000 1.019 213 N CA 1.371 54.396 53.050 -0.042 0.000 0.881 213 N CB -0.814 37.660 38.487 -0.021 0.000 0.972 213 N HN 0.898 9.278 8.380 0.000 0.000 0.435 214 G N 1.102 109.908 108.800 0.011 0.000 2.485 214 G HA2 -0.238 3.717 3.960 -0.008 0.000 0.221 214 G HA3 -0.238 3.717 3.960 -0.008 0.000 0.221 214 G C 1.111 176.042 174.900 0.051 0.000 1.115 214 G CA 0.796 45.914 45.100 0.031 0.000 0.751 214 G HN 0.241 8.531 8.290 0.000 0.000 0.567 215 D N 0.023 120.427 120.400 0.007 0.000 2.269 215 D HA -0.038 4.598 4.640 -0.008 0.000 0.208 215 D C 2.692 178.993 176.300 0.002 0.000 0.963 215 D CA 0.286 54.269 54.000 -0.029 0.000 0.864 215 D CB -0.069 40.471 40.800 -0.434 0.000 0.936 215 D HN 0.234 8.604 8.370 0.000 0.000 0.505 216 V N 1.585 121.491 119.914 -0.013 0.000 2.261 216 V HA -0.262 3.853 4.120 -0.008 0.000 0.246 216 V C 2.602 178.750 176.094 0.089 0.000 1.047 216 V CA 1.957 64.279 62.300 0.037 0.000 1.015 216 V CB -0.863 30.974 31.823 0.024 0.000 0.642 216 V HN 0.193 8.383 8.190 0.000 0.000 0.446 217 A N -0.199 122.670 122.820 0.081 0.000 1.902 217 A HA -0.250 4.065 4.320 -0.008 0.000 0.217 217 A C 2.263 179.909 177.584 0.103 0.000 1.181 217 A CA 2.058 54.143 52.037 0.079 0.000 0.623 217 A CB -0.463 18.577 19.000 0.067 0.000 0.818 217 A HN 0.589 8.739 8.150 0.000 0.000 0.443 218 K N -0.055 120.448 120.400 0.171 0.000 2.097 218 K HA -0.062 4.253 4.320 -0.008 0.000 0.206 218 K C 2.272 179.073 176.600 0.336 0.000 1.049 218 K CA 1.456 57.899 56.287 0.260 0.000 0.933 218 K CB -0.181 32.554 32.500 0.391 0.000 0.717 218 K HN 0.416 8.666 8.250 0.000 0.000 0.442 219 S N 1.077 116.989 115.700 0.353 0.000 2.368 219 S HA -0.062 4.404 4.470 -0.008 0.000 0.224 219 S C 1.924 176.640 174.600 0.194 0.000 1.029 219 S CA 0.781 59.177 58.200 0.327 0.000 0.988 219 S CB -0.129 63.239 63.200 0.281 0.000 0.838 219 S HN 0.144 8.454 8.310 0.000 0.000 0.462 220 I N 2.011 122.658 120.570 0.128 0.000 2.091 220 I HA -0.172 3.993 4.170 -0.008 0.000 0.239 220 I C 2.605 178.724 176.117 0.003 0.000 1.061 220 I CA 1.402 62.742 61.300 0.067 0.000 1.317 220 I CB -1.344 36.687 38.000 0.051 0.000 1.031 220 I HN 0.222 8.432 8.210 0.000 0.000 0.401 221 R N 1.481 121.935 120.500 -0.077 0.000 2.134 221 R HA -0.205 4.130 4.340 -0.008 0.000 0.248 221 R C 1.657 177.705 176.300 -0.418 0.000 1.143 221 R CA 1.876 57.785 56.100 -0.318 0.000 0.957 221 R CB -0.987 28.978 30.300 -0.558 0.000 0.867 221 R HN 0.299 8.569 8.270 0.000 0.000 0.441 222 F N -1.111 118.851 119.950 0.020 0.000 2.645 222 F HA 0.349 4.871 4.527 -0.008 0.000 0.300 222 F C 1.462 177.285 175.800 0.038 0.000 1.115 222 F CA 0.523 58.535 58.000 0.021 0.000 1.355 222 F CB 0.762 39.764 39.000 0.004 0.000 1.026 222 F HN 0.351 8.651 8.300 0.000 0.000 0.536 223 G N -0.440 108.443 108.800 0.138 0.000 2.255 223 G HA2 -0.074 3.882 3.960 -0.008 0.000 0.196 223 G HA3 -0.074 3.882 3.960 -0.008 0.000 0.196 223 G C 0.488 175.441 174.900 0.088 0.000 0.998 223 G CA -0.421 44.742 45.100 0.105 0.000 0.656 223 G HN 0.543 8.833 8.290 0.000 0.000 0.490 224 A N 0.474 123.357 122.820 0.104 0.000 2.531 224 A HA 0.574 4.889 4.320 -0.008 0.000 0.236 224 A C 1.473 179.098 177.584 0.067 0.000 1.062 224 A CA 1.765 53.855 52.037 0.089 0.000 0.760 224 A CB 0.301 19.368 19.000 0.111 0.000 0.995 224 A HN 0.655 8.805 8.150 0.000 0.000 0.501 225 T N 1.027 115.614 114.554 0.055 0.000 3.010 225 T HA 0.181 4.526 4.350 -0.008 0.000 0.252 225 T C 0.502 175.219 174.700 0.029 0.000 1.047 225 T CA 1.321 63.443 62.100 0.037 0.000 1.140 225 T CB -0.112 68.772 68.868 0.026 0.000 0.885 225 T HN 0.634 8.874 8.240 0.000 0.000 0.464 226 M N 1.076 120.697 119.600 0.035 0.000 2.501 226 M HA 0.556 5.031 4.480 -0.008 0.000 0.293 226 M C -2.173 174.173 176.300 0.075 0.000 1.192 226 M CA -0.912 54.410 55.300 0.036 0.000 0.886 226 M CB 2.236 34.821 32.600 -0.025 0.000 1.710 226 M HN -0.217 8.073 8.290 0.000 0.000 0.457 227 V N 4.462 124.430 119.914 0.091 0.000 2.407 227 V HA 0.504 4.619 4.120 -0.008 0.000 0.291 227 V C -0.408 175.751 176.094 0.109 0.000 1.018 227 V CA -0.623 61.734 62.300 0.095 0.000 0.842 227 V CB 1.423 33.294 31.823 0.081 0.000 0.996 227 V HN 1.001 9.191 8.190 0.000 0.000 0.426 228 M N 6.258 125.919 119.600 0.102 0.000 2.180 228 M HA 0.607 5.083 4.480 -0.008 0.000 0.358 228 M C -1.262 175.099 176.300 0.102 0.000 1.233 228 M CA 0.159 55.525 55.300 0.110 0.000 1.114 228 M CB 0.576 33.232 32.600 0.093 0.000 1.594 228 M HN 0.576 8.866 8.290 0.000 0.000 0.467 229 I N 4.438 125.101 120.570 0.156 0.000 2.478 229 I HA 0.382 4.548 4.170 -0.008 0.000 0.287 229 I C 0.408 176.635 176.117 0.182 0.000 1.042 229 I CA -0.433 60.930 61.300 0.105 0.000 1.067 229 I CB 2.109 40.096 38.000 -0.021 0.000 1.233 229 I HN 0.937 9.147 8.210 0.000 0.000 0.431 230 G N 2.028 110.888 108.800 0.099 0.000 2.764 230 G HA2 -0.093 3.862 3.960 -0.008 0.000 0.218 230 G HA3 -0.093 3.862 3.960 -0.008 0.000 0.218 230 G C 1.378 176.146 174.900 -0.221 0.000 1.304 230 G CA 0.910 46.075 45.100 0.108 0.000 0.847 230 G HN 0.540 8.830 8.290 0.000 0.000 0.610 231 S N 0.372 115.959 115.700 -0.189 0.000 2.381 231 S HA -0.131 4.335 4.470 -0.008 0.000 0.230 231 S C 2.386 176.786 174.600 -0.334 0.000 1.052 231 S CA 1.599 59.592 58.200 -0.346 0.000 1.068 231 S CB -0.421 62.757 63.200 -0.037 0.000 0.918 231 S HN 0.194 8.504 8.310 0.000 0.000 0.448 232 L N -0.777 120.280 121.223 -0.277 0.000 2.376 232 L HA 0.049 4.384 4.340 -0.008 0.000 0.219 232 L C 1.610 178.297 176.870 -0.305 0.000 1.133 232 L CA 0.887 55.533 54.840 -0.324 0.000 0.816 232 L CB -0.402 41.405 42.059 -0.419 0.000 0.933 232 L HN 0.370 8.600 8.230 0.000 0.000 0.449 233 F N 0.020 119.909 119.950 -0.102 0.000 2.749 233 F HA 0.268 4.790 4.527 -0.007 0.000 0.300 233 F C 1.607 177.395 175.800 -0.021 0.000 1.103 233 F CA -0.775 57.219 58.000 -0.010 0.000 1.342 233 F CB -0.353 38.581 39.000 -0.109 0.000 1.098 233 F HN -0.146 8.154 8.300 0.000 0.000 0.586 234 A N -0.042 122.673 122.820 -0.176 0.000 2.498 234 A HA 0.415 4.730 4.320 -0.008 0.000 0.239 234 A C 1.527 178.991 177.584 -0.200 0.000 1.068 234 A CA 0.711 52.553 52.037 -0.325 0.000 0.766 234 A CB -0.689 17.805 19.000 -0.843 0.000 1.003 234 A HN 0.967 9.117 8.150 0.000 0.000 0.497 235 G N 1.124 109.834 108.800 -0.151 0.000 2.137 235 G HA2 -0.179 3.777 3.960 -0.008 0.000 0.237 235 G HA3 -0.179 3.777 3.960 -0.008 0.000 0.237 235 G C 0.192 174.793 174.900 -0.499 0.000 1.002 235 G CA 0.370 45.310 45.100 -0.266 0.000 0.702 235 G HN 1.038 9.328 8.290 0.000 0.000 0.515 236 H N -0.109 118.793 119.070 -0.280 0.000 2.544 236 H HA 0.251 4.803 4.556 -0.007 0.000 0.365 236 H C 1.572 176.719 175.328 -0.302 0.000 1.268 236 H CA 0.378 56.259 56.048 -0.279 0.000 1.400 236 H CB 0.720 30.403 29.762 -0.132 0.000 1.538 236 H HN 0.364 8.644 8.280 0.000 0.000 0.597 237 E N 0.813 121.022 120.200 0.014 0.000 2.085 237 E HA -0.210 4.136 4.350 -0.008 0.000 0.194 237 E C 1.355 177.996 176.600 0.068 0.000 0.994 237 E CA 1.571 58.060 56.400 0.147 0.000 0.801 237 E CB 0.094 29.892 29.700 0.163 0.000 0.743 237 E HN 0.558 8.918 8.360 0.000 0.000 0.453 238 E N 0.510 120.717 120.200 0.011 0.000 2.358 238 E HA 0.033 4.379 4.350 -0.008 0.000 0.195 238 E C 0.286 176.876 176.600 -0.018 0.000 1.010 238 E CA 0.055 56.437 56.400 -0.031 0.000 0.856 238 E CB 0.259 29.890 29.700 -0.114 0.000 0.795 238 E HN -0.065 8.295 8.360 0.000 0.000 0.504 239 S N 2.318 118.017 115.700 -0.001 0.000 2.572 239 S HA 0.122 4.587 4.470 -0.008 0.000 0.279 239 S C -2.239 172.371 174.600 0.016 0.000 1.341 239 S CA -1.091 57.108 58.200 -0.002 0.000 1.043 239 S CB 0.343 63.547 63.200 0.006 0.000 0.887 239 S HN -0.043 8.267 8.310 0.000 0.000 0.516 240 P HA 0.282 4.702 4.420 0.000 0.000 0.267 240 P C 0.328 177.667 177.300 0.065 0.000 1.195 240 P CA 1.023 64.139 63.100 0.026 0.000 0.773 240 P CB 0.120 31.807 31.700 -0.021 0.000 0.837 241 G N 0.959 109.818 108.800 0.098 0.000 2.650 241 G HA2 0.067 4.022 3.960 -0.008 0.000 0.686 241 G HA3 0.067 4.022 3.960 -0.008 0.000 0.686 241 G C -0.895 174.097 174.900 0.152 0.000 1.205 241 G CA -0.583 44.614 45.100 0.162 0.000 0.781 241 G HN 0.669 8.959 8.290 0.000 0.000 0.648 242 E N -0.754 119.544 120.200 0.164 0.000 2.280 242 E HA 0.795 5.141 4.350 -0.008 0.000 0.261 242 E C -0.026 176.694 176.600 0.200 0.000 1.088 242 E CA -0.607 55.885 56.400 0.153 0.000 0.915 242 E CB 1.360 31.130 29.700 0.117 0.000 1.141 242 E HN 0.464 8.824 8.360 0.000 0.000 0.433 243 T N 1.813 116.475 114.554 0.179 0.000 2.823 243 T HA 0.495 4.840 4.350 -0.008 0.000 0.279 243 T C -0.199 174.605 174.700 0.173 0.000 0.998 243 T CA -0.848 61.370 62.100 0.196 0.000 0.994 243 T CB 0.631 69.597 68.868 0.163 0.000 0.960 243 T HN 0.519 8.759 8.240 0.000 0.000 0.448 244 I N -0.406 120.282 120.570 0.197 0.000 2.892 244 I HA 0.837 5.002 4.170 -0.008 0.000 0.306 244 I C -0.312 175.897 176.117 0.153 0.000 1.078 244 I CA -0.971 60.436 61.300 0.179 0.000 1.032 244 I CB 1.807 39.949 38.000 0.236 0.000 1.229 244 I HN 0.854 9.064 8.210 0.000 0.000 0.435 250 L N 1.266 122.224 121.223 -0.442 0.000 2.362 250 L HA 0.630 4.965 4.340 -0.008 0.000 0.275 250 L C -1.809 174.690 176.870 -0.617 0.000 0.998 250 L CA -0.206 54.428 54.840 -0.343 0.000 0.820 250 L CB 1.344 43.236 42.059 -0.279 0.000 1.270 250 L HN 0.513 8.743 8.230 0.000 0.000 0.415 251 Y N 2.549 122.838 120.300 -0.019 0.000 2.597 251 Y HA 0.619 5.164 4.550 -0.008 0.000 0.340 251 Y C -0.477 175.442 175.900 0.032 0.000 1.097 251 Y CA -1.010 57.029 58.100 -0.102 0.000 1.037 251 Y CB 2.204 40.408 38.460 -0.426 0.000 1.305 251 Y HN 0.324 8.604 8.280 0.000 0.000 0.463 252 K N 1.147 121.668 120.400 0.202 0.000 2.469 252 K HA 0.387 4.702 4.320 -0.008 0.000 0.254 252 K C -1.354 175.499 176.600 0.421 0.000 0.939 252 K CA -1.050 55.399 56.287 0.270 0.000 0.812 252 K CB 2.677 35.255 32.500 0.130 0.000 1.301 252 K HN 0.663 8.913 8.250 0.000 0.000 0.433 253 E N 1.193 121.704 120.200 0.518 0.000 2.390 253 E HA 0.101 4.447 4.350 -0.008 0.000 0.261 253 E C -1.096 175.842 176.600 0.564 0.000 1.076 253 E CA -0.263 56.478 56.400 0.568 0.000 0.905 253 E CB 0.589 30.514 29.700 0.376 0.000 0.984 253 E HN 0.350 8.710 8.360 0.000 0.000 0.427 254 Y N 3.113 123.661 120.300 0.412 0.000 2.362 254 Y HA 0.433 4.979 4.550 -0.008 0.000 0.326 254 Y C -1.912 174.171 175.900 0.306 0.000 1.083 254 Y CA -1.315 56.922 58.100 0.230 0.000 1.073 254 Y CB 0.794 39.310 38.460 0.094 0.000 1.211 254 Y HN 0.548 8.828 8.280 0.000 0.000 0.433 255 F N 2.639 122.316 119.950 -0.455 0.000 2.686 255 F HA 0.964 5.487 4.527 -0.007 0.000 0.311 255 F C -0.320 175.237 175.800 -0.405 0.000 1.128 255 F CA -1.257 56.489 58.000 -0.423 0.000 0.946 255 F CB 1.129 39.988 39.000 -0.235 0.000 1.336 255 F HN 0.699 8.999 8.300 0.000 0.000 0.457 256 G N 0.043 108.720 108.800 -0.204 0.000 2.597 256 G HA2 0.705 4.660 3.960 -0.008 0.000 0.317 256 G HA3 0.705 4.660 3.960 -0.008 0.000 0.317 256 G C -1.584 173.247 174.900 -0.115 0.000 1.230 256 G CA -0.991 43.982 45.100 -0.212 0.000 0.996 256 G HN 0.817 9.107 8.290 0.000 0.000 0.490 276 V N 0.711 120.746 119.914 0.203 0.000 3.181 276 V HA 0.499 4.615 4.120 -0.008 0.000 0.307 276 V C -1.235 174.961 176.094 0.170 0.000 1.310 276 V CA -0.979 61.409 62.300 0.147 0.000 1.067 276 V CB 2.706 34.590 31.823 0.101 0.000 1.081 276 V HN 0.255 8.445 8.190 0.000 0.000 0.453 277 E N 0.431 120.654 120.200 0.038 0.000 2.202 277 E HA 0.366 4.711 4.350 -0.008 0.000 0.272 277 E C -0.504 175.991 176.600 -0.175 0.000 0.951 277 E CA -0.516 55.793 56.400 -0.152 0.000 0.813 277 E CB 1.226 30.803 29.700 -0.205 0.000 1.151 277 E HN 0.725 9.085 8.360 0.000 0.000 0.398 278 H N 2.923 121.816 119.070 -0.296 0.000 2.964 278 H HA 0.071 4.623 4.556 -0.008 0.000 0.328 278 H C -0.041 175.152 175.328 -0.224 0.000 1.030 278 H CA 0.724 56.642 56.048 -0.217 0.000 1.445 278 H CB 1.001 30.645 29.762 -0.196 0.000 1.449 278 H HN 0.613 8.893 8.280 0.000 0.000 0.581 279 K N 3.232 123.415 120.400 -0.362 0.000 2.358 279 K HA 0.180 4.495 4.320 -0.008 0.000 0.200 279 K C 0.931 177.435 176.600 -0.160 0.000 1.030 279 K CA 0.404 56.483 56.287 -0.346 0.000 1.097 279 K CB 1.039 33.082 32.500 -0.761 0.000 0.862 279 K HN 0.934 9.184 8.250 0.000 0.000 0.534 280 G N 1.749 110.569 108.800 0.033 0.000 2.548 280 G HA2 -0.252 3.703 3.960 -0.008 0.000 0.208 280 G HA3 -0.252 3.703 3.960 -0.008 0.000 0.208 280 G C -0.474 174.524 174.900 0.164 0.000 1.308 280 G CA -0.338 44.826 45.100 0.108 0.000 0.924 280 G HN 0.236 8.526 8.290 0.000 0.000 0.540 281 S N -0.603 115.170 115.700 0.122 0.000 2.562 281 S HA 0.523 4.988 4.470 -0.008 0.000 0.275 281 S C 1.410 176.036 174.600 0.042 0.000 1.281 281 S CA 0.352 58.587 58.200 0.058 0.000 1.045 281 S CB 1.683 64.879 63.200 -0.007 0.000 0.962 281 S HN 1.987 10.297 8.310 0.000 0.000 0.503 282 L N 2.231 123.364 121.223 -0.150 0.000 2.201 282 L HA 0.058 4.393 4.340 -0.008 0.000 0.212 282 L C 2.400 179.112 176.870 -0.263 0.000 1.105 282 L CA 2.032 56.621 54.840 -0.418 0.000 0.775 282 L CB -0.742 41.002 42.059 -0.525 0.000 0.913 282 L HN 1.016 9.246 8.230 0.000 0.000 0.440 283 E N -0.658 119.414 120.200 -0.213 0.000 2.110 283 E HA -0.248 4.097 4.350 -0.008 0.000 0.193 283 E C 1.543 178.155 176.600 0.020 0.000 0.988 283 E CA 1.495 57.860 56.400 -0.058 0.000 0.804 283 E CB -0.023 29.666 29.700 -0.018 0.000 0.745 283 E HN 0.553 8.913 8.360 0.000 0.000 0.458 284 D N -0.164 120.247 120.400 0.018 0.000 2.084 284 D HA -0.125 4.510 4.640 -0.008 0.000 0.194 284 D C 1.920 178.256 176.300 0.060 0.000 0.990 284 D CA 1.746 55.776 54.000 0.050 0.000 0.826 284 D CB -0.700 40.132 40.800 0.053 0.000 0.971 284 D HN 0.155 8.525 8.370 0.000 0.000 0.453 285 T N 1.233 115.833 114.554 0.077 0.000 2.624 285 T HA -0.177 4.169 4.350 -0.008 0.000 0.268 285 T C 2.167 176.903 174.700 0.059 0.000 1.041 285 T CA 0.944 63.098 62.100 0.091 0.000 1.159 285 T CB -0.454 68.522 68.868 0.180 0.000 0.863 285 T HN 0.126 8.366 8.240 0.000 0.000 0.434 286 L N -0.296 120.951 121.223 0.040 0.000 2.093 286 L HA 0.009 4.344 4.340 -0.008 0.000 0.208 286 L C 2.418 179.358 176.870 0.117 0.000 1.085 286 L CA 1.010 55.874 54.840 0.040 0.000 0.755 286 L CB -0.431 41.521 42.059 -0.179 0.000 0.904 286 L HN 0.262 8.492 8.230 0.000 0.000 0.435 287 I N -0.616 120.026 120.570 0.120 0.000 2.353 287 I HA -0.243 3.922 4.170 -0.008 0.000 0.248 287 I C 2.633 178.808 176.117 0.096 0.000 1.119 287 I CA 1.041 62.419 61.300 0.130 0.000 1.417 287 I CB -0.136 37.933 38.000 0.116 0.000 1.078 287 I HN 0.283 8.493 8.210 0.000 0.000 0.421 288 E N 0.987 121.231 120.200 0.074 0.000 2.031 288 E HA -0.252 4.094 4.350 -0.008 0.000 0.193 288 E C 2.373 179.006 176.600 0.056 0.000 0.994 288 E CA 1.468 57.902 56.400 0.057 0.000 0.800 288 E CB -0.029 29.697 29.700 0.043 0.000 0.752 288 E HN 0.373 8.733 8.360 0.000 0.000 0.447 289 M N 0.342 119.974 119.600 0.053 0.000 2.113 289 M HA -0.271 4.204 4.480 -0.008 0.000 0.255 289 M C 2.449 178.798 176.300 0.082 0.000 1.073 289 M CA 2.061 57.393 55.300 0.054 0.000 1.091 289 M CB -0.637 31.997 32.600 0.058 0.000 1.309 289 M HN 0.162 8.452 8.290 0.000 0.000 0.407 290 E N 0.336 120.603 120.200 0.112 0.000 2.058 290 E HA -0.250 4.096 4.350 -0.008 0.000 0.194 290 E C 1.987 178.639 176.600 0.087 0.000 0.997 290 E CA 1.567 58.037 56.400 0.116 0.000 0.801 290 E CB -0.000 29.785 29.700 0.142 0.000 0.746 290 E HN 0.554 8.914 8.360 0.000 0.000 0.450 291 Q N 0.045 119.891 119.800 0.078 0.000 2.084 291 Q HA -0.172 4.163 4.340 -0.008 0.000 0.202 291 Q C 1.817 177.856 176.000 0.064 0.000 0.978 291 Q CA 1.558 57.399 55.803 0.063 0.000 0.844 291 Q CB 0.055 28.828 28.738 0.057 0.000 0.898 291 Q HN 0.329 8.599 8.270 0.000 0.000 0.426 292 D N 0.286 120.725 120.400 0.065 0.000 2.178 292 D HA -0.116 4.520 4.640 -0.008 0.000 0.202 292 D C 1.673 178.021 176.300 0.079 0.000 0.974 292 D CA 0.677 54.719 54.000 0.070 0.000 0.841 292 D CB 0.025 40.858 40.800 0.055 0.000 0.953 292 D HN 0.113 8.483 8.370 0.000 0.000 0.478 293 L N 0.651 121.918 121.223 0.073 0.000 2.240 293 L HA -0.039 4.296 4.340 -0.008 0.000 0.211 293 L C 2.033 178.947 176.870 0.073 0.000 1.106 293 L CA 1.342 56.227 54.840 0.075 0.000 0.793 293 L CB -0.195 41.909 42.059 0.076 0.000 0.927 293 L HN -0.092 8.138 8.230 0.000 0.000 0.446 294 Q N -1.412 118.427 119.800 0.065 0.000 2.123 294 Q HA -0.110 4.225 4.340 -0.008 0.000 0.199 294 Q C 2.150 178.177 176.000 0.045 0.000 0.966 294 Q CA 1.538 57.370 55.803 0.049 0.000 0.845 294 Q CB -0.039 28.722 28.738 0.038 0.000 0.907 294 Q HN 0.498 8.768 8.270 0.000 0.000 0.439 295 S N 0.596 116.336 115.700 0.066 0.000 2.383 295 S HA -0.157 4.308 4.470 -0.008 0.000 0.229 295 S C 2.089 176.801 174.600 0.188 0.000 1.030 295 S CA 1.222 59.476 58.200 0.090 0.000 1.002 295 S CB -0.223 63.073 63.200 0.159 0.000 0.829 295 S HN 0.236 8.546 8.310 0.000 0.000 0.467 296 S N 1.759 117.570 115.700 0.184 0.000 2.356 296 S HA -0.008 4.458 4.470 -0.008 0.000 0.223 296 S C 1.814 176.505 174.600 0.151 0.000 1.032 296 S CA 1.173 59.489 58.200 0.194 0.000 1.005 296 S CB -0.474 62.795 63.200 0.115 0.000 0.867 296 S HN 0.459 8.769 8.310 0.000 0.000 0.449 297 I N 1.551 122.173 120.570 0.087 0.000 2.264 297 I HA -0.186 3.979 4.170 -0.008 0.000 0.248 297 I C 2.343 178.474 176.117 0.023 0.000 1.111 297 I CA 0.887 62.218 61.300 0.051 0.000 1.382 297 I CB -0.586 37.434 38.000 0.033 0.000 1.060 297 I HN 0.226 8.436 8.210 0.000 0.000 0.418 298 S N 0.181 115.869 115.700 -0.019 0.000 2.353 298 S HA -0.216 4.249 4.470 -0.008 0.000 0.222 298 S C 1.983 176.511 174.600 -0.120 0.000 1.035 298 S CA 1.437 59.568 58.200 -0.115 0.000 1.025 298 S CB -0.632 62.428 63.200 -0.234 0.000 0.902 298 S HN 0.397 8.707 8.310 0.000 0.000 0.440 299 Y N 1.493 121.799 120.300 0.011 0.000 2.274 299 Y HA -0.075 4.471 4.550 -0.008 0.000 0.290 299 Y C 2.498 178.403 175.900 0.007 0.000 1.145 299 Y CA 0.657 58.763 58.100 0.010 0.000 1.203 299 Y CB -0.264 38.203 38.460 0.012 0.000 0.984 299 Y HN 0.307 8.587 8.280 0.000 0.000 0.533 300 A N -0.256 122.653 122.820 0.148 0.000 2.235 300 A HA 0.300 4.615 4.320 -0.008 0.000 0.208 300 A C 1.908 179.523 177.584 0.051 0.000 1.172 300 A CA 0.825 52.913 52.037 0.087 0.000 0.786 300 A CB -1.129 17.909 19.000 0.062 0.000 0.804 300 A HN 0.583 8.733 8.150 0.000 0.000 0.479 301 G N -2.148 106.675 108.800 0.039 0.000 2.176 301 G HA2 0.053 4.009 3.960 -0.008 0.000 0.252 301 G HA3 0.053 4.009 3.960 -0.008 0.000 0.252 301 G C 0.583 175.488 174.900 0.007 0.000 1.024 301 G CA 0.523 45.633 45.100 0.016 0.000 0.755 301 G HN 1.511 9.801 8.290 0.000 0.000 0.507 302 G N -2.262 106.542 108.800 0.006 0.000 3.086 302 G HA2 0.820 4.775 3.960 -0.008 0.000 0.282 302 G HA3 0.820 4.775 3.960 -0.008 0.000 0.282 302 G C 0.729 175.628 174.900 -0.000 0.000 1.343 302 G CA 0.860 45.962 45.100 0.004 0.000 0.895 302 G HN 1.152 9.442 8.290 0.000 0.000 0.557 303 T N -3.100 111.455 114.554 0.002 0.000 2.955 303 T HA 0.312 4.658 4.350 -0.008 0.000 0.251 303 T C 0.649 175.352 174.700 0.006 0.000 1.002 303 T CA 0.434 62.534 62.100 0.001 0.000 0.970 303 T CB -0.011 68.856 68.868 -0.002 0.000 1.091 303 T HN 0.619 8.859 8.240 0.000 0.000 0.495 304 K N -0.115 120.291 120.400 0.009 0.000 2.378 304 K HA 0.645 4.961 4.320 -0.008 0.000 0.244 304 K C 0.385 176.997 176.600 0.020 0.000 1.039 304 K CA -1.024 55.271 56.287 0.013 0.000 0.863 304 K CB 1.464 33.969 32.500 0.009 0.000 1.326 304 K HN -0.117 8.133 8.250 0.000 0.000 0.460 305 L N 1.414 122.651 121.223 0.024 0.000 2.043 305 L HA -0.203 4.132 4.340 -0.008 0.000 0.212 305 L C 1.478 178.362 176.870 0.024 0.000 1.075 305 L CA 2.077 56.935 54.840 0.030 0.000 0.752 305 L CB -0.629 41.451 42.059 0.036 0.000 0.891 305 L HN 0.709 8.939 8.230 0.000 0.000 0.432 306 D N -1.187 119.224 120.400 0.018 0.000 2.309 306 D HA -0.133 4.503 4.640 -0.008 0.000 0.212 306 D C 2.382 178.688 176.300 0.010 0.000 0.968 306 D CA 1.163 55.171 54.000 0.013 0.000 0.882 306 D CB -0.020 40.787 40.800 0.012 0.000 0.918 306 D HN 0.585 8.955 8.370 0.000 0.000 0.503 307 S N 0.469 116.176 115.700 0.013 0.000 2.383 307 S HA -0.177 4.288 4.470 -0.008 0.000 0.229 307 S C 2.158 176.764 174.600 0.011 0.000 1.030 307 S CA 0.608 58.815 58.200 0.013 0.000 1.002 307 S CB -0.680 62.529 63.200 0.016 0.000 0.829 307 S HN 0.305 8.615 8.310 0.000 0.000 0.467 308 I N 1.701 122.278 120.570 0.012 0.000 2.423 308 I HA -0.164 4.002 4.170 -0.008 0.000 0.254 308 I C 2.865 178.961 176.117 -0.035 0.000 1.151 308 I CA 1.203 62.503 61.300 0.000 0.000 1.421 308 I CB -0.396 37.611 38.000 0.010 0.000 1.079 308 I HN 0.260 8.470 8.210 0.000 0.000 0.431 309 R N 0.272 120.754 120.500 -0.029 0.000 2.237 309 R HA -0.092 4.243 4.340 -0.008 0.000 0.219 309 R C 1.878 178.149 176.300 -0.049 0.000 1.080 309 R CA 1.762 57.833 56.100 -0.049 0.000 0.995 309 R CB -0.380 29.909 30.300 -0.019 0.000 0.875 309 R HN 0.515 8.785 8.270 0.000 0.000 0.462 310 T N -2.184 112.356 114.554 -0.024 0.000 3.023 310 T HA 0.140 4.485 4.350 -0.008 0.000 0.253 310 T C 0.929 175.629 174.700 0.001 0.000 1.038 310 T CA -0.261 61.836 62.100 -0.006 0.000 0.962 310 T CB -0.108 68.763 68.868 0.004 0.000 1.018 310 T HN 0.018 8.258 8.240 0.000 0.000 0.521 311 V N 0.541 120.453 119.914 -0.004 0.000 2.963 311 V HA 0.405 4.521 4.120 -0.008 0.000 0.306 311 V C 0.242 176.361 176.094 0.041 0.000 1.077 311 V CA -1.082 61.228 62.300 0.015 0.000 1.124 311 V CB 0.432 32.266 31.823 0.018 0.000 0.987 311 V HN 0.129 8.319 8.190 0.000 0.000 0.487 312 D N 1.913 122.332 120.400 0.032 0.000 2.398 312 D HA 0.484 5.120 4.640 -0.008 0.000 0.247 312 D C -0.572 175.780 176.300 0.086 0.000 1.227 312 D CA 0.328 54.337 54.000 0.015 0.000 0.980 312 D CB 0.900 41.663 40.800 -0.061 0.000 1.106 312 D HN 0.874 9.244 8.370 0.000 0.000 0.493 313 Y N -1.536 118.743 120.300 -0.035 0.000 2.624 313 Y HA 0.531 5.076 4.550 -0.008 0.000 0.334 313 Y C -1.426 174.448 175.900 -0.044 0.000 1.155 313 Y CA -1.312 56.768 58.100 -0.034 0.000 1.046 313 Y CB 0.645 39.102 38.460 -0.004 0.000 1.316 313 Y HN 0.208 8.488 8.280 0.000 0.000 0.457 314 V N -0.330 119.613 119.914 0.048 0.000 2.960 314 V HA 0.873 4.988 4.120 -0.008 0.000 0.315 314 V C -1.265 174.857 176.094 0.047 0.000 1.087 314 V CA -1.199 61.075 62.300 -0.043 0.000 0.982 314 V CB 1.545 33.333 31.823 -0.058 0.000 1.039 314 V HN 0.811 9.001 8.190 0.000 0.000 0.437 315 V N 4.440 124.337 119.914 -0.029 0.000 2.333 315 V HA 0.461 4.576 4.120 -0.008 0.000 0.274 315 V C 0.565 176.632 176.094 -0.045 0.000 1.028 315 V CA -0.013 62.240 62.300 -0.078 0.000 0.851 315 V CB 1.012 32.772 31.823 -0.105 0.000 1.000 315 V HN 1.045 9.235 8.190 0.000 0.000 0.456 316 V N 3.190 123.080 119.914 -0.040 0.000 3.336 316 V HA 0.438 4.554 4.120 -0.008 0.000 0.304 316 V C 1.139 177.223 176.094 -0.016 0.000 1.073 316 V CA -0.153 62.128 62.300 -0.032 0.000 1.074 316 V CB 1.089 32.885 31.823 -0.044 0.000 1.161 316 V HN 0.770 8.960 8.190 0.000 0.000 0.460 317 K N 0.659 121.053 120.400 -0.011 0.000 2.168 317 K HA 0.112 4.427 4.320 -0.008 0.000 0.201 317 K C 1.501 178.106 176.600 0.009 0.000 1.049 317 K CA 1.173 57.459 56.287 -0.000 0.000 0.974 317 K CB 0.125 32.624 32.500 -0.002 0.000 0.792 317 K HN 0.900 9.150 8.250 0.000 0.000 0.463 318 N N -0.677 118.027 118.700 0.008 0.000 2.476 318 N HA 0.004 4.739 4.740 -0.008 0.000 0.234 318 N C -0.251 175.278 175.510 0.032 0.000 1.035 318 N CA 0.358 53.422 53.050 0.023 0.000 1.194 318 N CB 0.541 39.043 38.487 0.026 0.000 1.542 318 N HN 0.088 8.468 8.380 0.000 0.000 0.628 319 S N -0.499 115.213 115.700 0.020 0.000 2.685 319 S HA 0.263 4.729 4.470 -0.008 0.000 0.282 319 S C 0.973 175.495 174.600 -0.130 0.000 1.159 319 S CA -0.716 57.463 58.200 -0.034 0.000 0.833 319 S CB 1.144 64.367 63.200 0.037 0.000 1.151 319 S HN 0.510 8.820 8.310 0.000 0.000 0.485 320 I N -0.529 119.883 120.570 -0.262 0.000 2.713 320 I HA -0.340 3.825 4.170 -0.008 0.000 0.236 320 I C -0.085 175.714 176.117 -0.530 0.000 0.875 320 I CA 1.898 62.895 61.300 -0.504 0.000 1.260 320 I CB -0.616 37.015 38.000 -0.615 0.000 0.968 320 I HN 0.537 8.747 8.210 0.000 0.000 0.406 321 F N 0.000 119.963 119.950 0.021 0.000 2.286 321 F HA 0.000 4.522 4.527 -0.008 0.000 0.279 321 F CA 0.000 58.010 58.000 0.016 0.000 1.383 321 F CB 0.000 39.011 39.000 0.019 0.000 1.145 321 F HN 0.000 8.300 8.300 0.000 0.000 0.574