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 1a3q_1_A DATA FIRST_RESID 37 DATA SEQUENCE GPYLVIVEQP KQRGFRFRYG CEGPSHGGLP GASSEKGRKT YPTVKICNYE DATA SEQUENCE GPAKIEVDLV THSDPPRAHA HSLVGKQCSE LGICAVSVGP KDMTAQFNNL DATA SEQUENCE GVLHVTKKNM MGTMIQKLQR QRLRSRPQGL TEAEQRELEQ EAKELKKVMD DATA SEQUENCE LSIVRLRFSA FLRXXXXXXS LPLKPVISQP IHDSKSPGAS NLKISRMDKT DATA SEQUENCE AGSVRGGDEV YLLCDKVQKD DIEVRFYEDD ENGWQAFGDF SPTDVHKQYA DATA SEQUENCE IVFRTPPYHK MKIERPVTVF LQLKRKRGGD VSDSKQFTYY P 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 37 G HA2 0.000 nan 3.960 nan 0.000 0.244 37 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 37 G C 0.000 174.984 174.900 0.139 0.000 0.946 37 G CA 0.000 45.144 45.100 0.072 0.000 0.502 38 P HA 0.459 4.879 4.420 -0.000 0.000 0.267 38 P C -1.182 176.197 177.300 0.131 0.000 1.205 38 P CA 0.189 63.325 63.100 0.061 0.000 0.765 38 P CB 0.168 31.873 31.700 0.009 0.000 0.828 39 Y N 1.123 121.421 120.300 -0.003 0.000 2.571 39 Y HA 0.667 5.214 4.550 -0.004 0.000 0.341 39 Y C -1.523 174.369 175.900 -0.014 0.000 1.076 39 Y CA -1.900 56.192 58.100 -0.014 0.000 1.029 39 Y CB 0.757 39.209 38.460 -0.013 0.000 1.308 39 Y HN 0.222 8.502 8.280 -0.000 0.000 0.461 40 L N 3.182 124.426 121.223 0.035 0.000 2.343 40 L HA 0.869 5.207 4.340 -0.004 0.000 0.275 40 L C -1.221 175.678 176.870 0.049 0.000 1.056 40 L CA -0.796 54.020 54.840 -0.040 0.000 0.804 40 L CB 1.576 43.629 42.059 -0.011 0.000 1.203 40 L HN 0.789 9.019 8.230 -0.000 0.000 0.440 41 V N 5.835 125.724 119.914 -0.040 0.000 2.808 41 V HA 0.439 4.557 4.120 -0.004 0.000 0.308 41 V C -0.378 175.655 176.094 -0.101 0.000 1.099 41 V CA -0.607 61.700 62.300 0.012 0.000 0.920 41 V CB 2.163 34.044 31.823 0.096 0.000 1.014 41 V HN 0.659 8.849 8.190 -0.000 0.000 0.425 42 I N 7.019 127.526 120.570 -0.105 0.000 2.406 42 I HA 0.111 4.278 4.170 -0.004 0.000 0.293 42 I C 1.217 177.276 176.117 -0.097 0.000 1.101 42 I CA 0.052 61.248 61.300 -0.174 0.000 1.334 42 I CB 1.275 39.206 38.000 -0.114 0.000 1.421 42 I HN 0.451 8.661 8.210 -0.000 0.000 0.513 43 V N 4.750 124.595 119.914 -0.115 0.000 2.548 43 V HA -0.133 3.985 4.120 -0.004 0.000 0.249 43 V C 0.814 176.875 176.094 -0.055 0.000 1.055 43 V CA 1.434 63.688 62.300 -0.076 0.000 1.065 43 V CB -0.550 31.219 31.823 -0.091 0.000 0.681 43 V HN 0.813 9.003 8.190 -0.000 0.000 0.462 44 E N -0.156 120.010 120.200 -0.056 0.000 2.361 44 E HA 0.255 4.603 4.350 -0.004 0.000 0.270 44 E C -0.473 176.128 176.600 0.002 0.000 0.911 44 E CA -0.321 56.062 56.400 -0.028 0.000 0.818 44 E CB 0.904 30.584 29.700 -0.033 0.000 1.332 44 E HN 0.229 8.589 8.360 -0.000 0.000 0.402 45 Q N 4.130 123.942 119.800 0.020 0.000 2.492 45 Q HA 0.264 4.601 4.340 -0.004 0.000 0.238 45 Q C -1.955 174.088 176.000 0.072 0.000 1.045 45 Q CA -1.399 54.442 55.803 0.063 0.000 0.934 45 Q CB 0.536 29.309 28.738 0.059 0.000 1.276 45 Q HN 0.507 8.777 8.270 -0.000 0.000 0.521 46 P HA 0.099 4.519 4.420 -0.000 0.000 0.274 46 P C -0.888 176.440 177.300 0.048 0.000 1.237 46 P CA -0.271 62.868 63.100 0.066 0.000 0.793 46 P CB 0.681 32.422 31.700 0.068 0.000 0.977 47 K N 1.411 121.827 120.400 0.027 0.000 2.349 47 K HA 0.010 4.327 4.320 -0.004 0.000 0.288 47 K C 1.570 178.220 176.600 0.084 0.000 1.058 47 K CA 0.051 56.365 56.287 0.045 0.000 0.953 47 K CB 0.151 32.675 32.500 0.039 0.000 0.997 47 K HN 0.319 8.569 8.250 -0.000 0.000 0.477 48 Q N 2.994 122.849 119.800 0.091 0.000 2.226 48 Q HA -0.119 4.219 4.340 -0.004 0.000 0.204 48 Q C -0.171 175.936 176.000 0.178 0.000 0.975 48 Q CA 1.388 57.277 55.803 0.145 0.000 0.866 48 Q CB 0.345 29.158 28.738 0.126 0.000 0.915 48 Q HN 0.437 8.707 8.270 -0.000 0.000 0.440 49 R N -2.605 117.955 120.500 0.101 0.000 2.808 49 R HA 0.425 4.762 4.340 -0.004 0.000 0.272 49 R C 0.153 176.505 176.300 0.088 0.000 0.995 49 R CA 0.064 56.205 56.100 0.069 0.000 0.917 49 R CB 1.632 31.919 30.300 -0.021 0.000 1.217 49 R HN 0.194 8.464 8.270 -0.000 0.000 0.471 50 G N 0.656 109.502 108.800 0.077 0.000 2.194 50 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.236 50 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.236 50 G C -0.406 174.595 174.900 0.170 0.000 0.987 50 G CA 0.020 45.175 45.100 0.092 0.000 0.635 50 G HN 0.437 8.727 8.290 -0.000 0.000 0.520 51 F N 2.663 122.633 119.950 0.034 0.000 2.404 51 F HA 0.732 5.256 4.527 -0.004 0.000 0.345 51 F C 0.675 176.504 175.800 0.048 0.000 1.110 51 F CA -1.510 56.536 58.000 0.076 0.000 1.130 51 F CB 0.939 40.030 39.000 0.152 0.000 1.129 51 F HN 0.142 8.442 8.300 -0.000 0.000 0.500 52 R N 5.724 125.820 120.500 -0.673 0.000 2.254 52 R HA 0.329 4.666 4.340 -0.004 0.000 0.318 52 R C -1.379 174.594 176.300 -0.546 0.000 1.031 52 R CA -0.577 55.209 56.100 -0.523 0.000 0.905 52 R CB 0.391 30.481 30.300 -0.349 0.000 1.050 52 R HN 0.416 8.686 8.270 -0.000 0.000 0.456 53 F N 3.716 123.426 119.950 -0.400 0.000 2.427 53 F HA 0.374 4.899 4.527 -0.004 0.000 0.352 53 F C 0.719 176.351 175.800 -0.281 0.000 1.100 53 F CA -0.646 57.178 58.000 -0.293 0.000 1.191 53 F CB 0.786 39.677 39.000 -0.182 0.000 1.128 53 F HN 0.293 8.593 8.300 -0.000 0.000 0.533 54 R N 2.838 123.303 120.500 -0.059 0.000 2.532 54 R HA 0.326 4.664 4.340 -0.004 0.000 0.295 54 R C -0.887 175.380 176.300 -0.055 0.000 0.968 54 R CA -0.898 55.180 56.100 -0.037 0.000 0.916 54 R CB 1.085 31.417 30.300 0.053 0.000 1.124 54 R HN 0.477 8.747 8.270 -0.000 0.000 0.463 55 Y N -0.607 119.706 120.300 0.020 0.000 2.314 55 Y HA 0.114 4.662 4.550 -0.004 0.000 0.334 55 Y C 1.993 177.914 175.900 0.035 0.000 1.266 55 Y CA 0.601 58.716 58.100 0.026 0.000 1.391 55 Y CB 0.695 39.143 38.460 -0.020 0.000 1.306 55 Y HN 0.817 9.097 8.280 -0.000 0.000 0.558 56 G N -0.022 108.900 108.800 0.204 0.000 2.485 56 G HA2 -0.296 3.661 3.960 -0.004 0.000 0.221 56 G HA3 -0.296 3.661 3.960 -0.004 0.000 0.221 56 G C 1.459 176.424 174.900 0.108 0.000 1.115 56 G CA 1.242 46.415 45.100 0.122 0.000 0.751 56 G HN 0.931 9.221 8.290 -0.000 0.000 0.567 57 C N -0.537 118.836 119.300 0.122 0.000 2.481 57 C HA 0.271 4.728 4.460 -0.004 0.000 0.275 57 C C 2.262 177.305 174.990 0.090 0.000 1.419 57 C CA 0.482 59.546 59.018 0.077 0.000 1.773 57 C CB -0.605 27.157 27.740 0.036 0.000 1.862 57 C HN 0.533 8.763 8.230 -0.000 0.000 0.530 58 E N 1.419 121.702 120.200 0.140 0.000 2.076 58 E HA 0.375 4.722 4.350 -0.004 0.000 0.190 58 E C 1.269 177.986 176.600 0.196 0.000 0.979 58 E CA 0.939 57.453 56.400 0.191 0.000 0.807 58 E CB -0.123 29.712 29.700 0.226 0.000 0.761 58 E HN 0.831 9.191 8.360 -0.000 0.000 0.454 59 G N 0.303 109.177 108.800 0.123 0.000 2.347 59 G HA2 -0.019 3.938 3.960 -0.004 0.000 0.321 59 G HA3 -0.019 3.938 3.960 -0.004 0.000 0.321 59 G C -2.590 172.295 174.900 -0.026 0.000 1.412 59 G CA -0.514 44.574 45.100 -0.019 0.000 0.990 59 G HN -0.081 8.209 8.290 -0.000 0.000 0.637 60 P HA 0.228 4.648 4.420 -0.000 0.000 0.259 60 P C 0.456 177.725 177.300 -0.051 0.000 1.233 60 P CA 0.267 63.348 63.100 -0.032 0.000 0.827 60 P CB 0.782 32.470 31.700 -0.020 0.000 1.154 61 S N 0.808 116.417 115.700 -0.151 0.000 2.835 61 S HA 0.236 4.704 4.470 -0.004 0.000 0.194 61 S C 0.238 174.737 174.600 -0.168 0.000 1.364 61 S CA -0.353 57.775 58.200 -0.121 0.000 1.167 61 S CB -0.603 62.532 63.200 -0.108 0.000 1.223 61 S HN 0.166 8.476 8.310 -0.000 0.000 0.512 62 H N 1.532 120.635 119.070 0.056 0.000 2.672 62 H HA 0.401 4.955 4.556 -0.004 0.000 0.277 62 H C 1.132 176.521 175.328 0.101 0.000 1.074 62 H CA 0.431 56.514 56.048 0.058 0.000 1.173 62 H CB 0.804 30.584 29.762 0.029 0.000 1.558 62 H HN 0.732 9.012 8.280 -0.000 0.000 0.539 63 G N -0.308 108.631 108.800 0.232 0.000 2.742 63 G HA2 0.060 4.018 3.960 -0.004 0.000 0.686 63 G HA3 0.060 4.018 3.960 -0.004 0.000 0.686 63 G C 0.008 175.109 174.900 0.334 0.000 1.220 63 G CA -0.551 44.706 45.100 0.261 0.000 0.783 63 G HN 0.461 8.751 8.290 -0.000 0.000 0.646 64 G N -0.390 108.550 108.800 0.234 0.000 2.377 64 G HA2 0.688 4.646 3.960 -0.004 0.000 0.299 64 G HA3 0.688 4.646 3.960 -0.004 0.000 0.299 64 G C 0.324 175.209 174.900 -0.025 0.000 1.150 64 G CA -0.336 44.846 45.100 0.137 0.000 0.847 64 G HN 1.781 10.071 8.290 -0.000 0.000 0.501 65 L N 4.751 125.726 121.223 -0.413 0.000 2.654 65 L HA 0.210 4.547 4.340 -0.004 0.000 0.271 65 L C -1.516 175.192 176.870 -0.270 0.000 1.169 65 L CA -1.237 53.028 54.840 -0.960 0.000 0.947 65 L CB -0.067 41.559 42.059 -0.722 0.000 1.232 65 L HN 0.280 8.510 8.230 -0.000 0.000 0.486 66 P HA 0.265 4.685 4.420 -0.000 0.000 0.277 66 P C -0.183 177.098 177.300 -0.031 0.000 1.271 66 P CA -0.486 62.612 63.100 -0.004 0.000 0.795 66 P CB 0.699 32.396 31.700 -0.005 0.000 1.101 67 G N -0.887 107.873 108.800 -0.066 0.000 2.580 67 G HA2 0.346 4.304 3.960 -0.004 0.000 0.278 67 G HA3 0.346 4.304 3.960 -0.004 0.000 0.278 67 G C 1.229 176.109 174.900 -0.033 0.000 1.212 67 G CA -0.008 45.068 45.100 -0.041 0.000 0.939 67 G HN 0.487 8.777 8.290 -0.000 0.000 0.513 68 A N -0.165 122.647 122.820 -0.013 0.000 1.986 68 A HA 0.045 4.363 4.320 -0.004 0.000 0.220 68 A C 1.674 179.247 177.584 -0.018 0.000 1.171 68 A CA 1.968 54.002 52.037 -0.005 0.000 0.640 68 A CB -0.489 18.512 19.000 0.002 0.000 0.811 68 A HN 1.364 9.514 8.150 -0.000 0.000 0.451 69 S N -0.107 115.570 115.700 -0.037 0.000 2.532 69 S HA 0.506 4.973 4.470 -0.004 0.000 0.256 69 S C -0.310 174.252 174.600 -0.063 0.000 1.298 69 S CA 0.128 58.303 58.200 -0.041 0.000 1.166 69 S CB 0.813 63.990 63.200 -0.038 0.000 1.022 69 S HN 0.700 9.010 8.310 -0.000 0.000 0.480 70 S N 1.022 116.690 115.700 -0.054 0.000 2.128 70 S HA 0.388 4.855 4.470 -0.004 0.000 0.157 70 S C -0.370 174.208 174.600 -0.035 0.000 1.650 70 S CA -0.757 57.401 58.200 -0.070 0.000 1.269 70 S CB -0.045 63.102 63.200 -0.089 0.000 1.227 70 S HN 0.707 9.017 8.310 -0.000 0.000 0.405 71 E N 1.950 122.133 120.200 -0.028 0.000 2.351 71 E HA 0.300 4.648 4.350 -0.004 0.000 0.255 71 E C -0.065 176.529 176.600 -0.010 0.000 1.188 71 E CA -1.008 55.385 56.400 -0.012 0.000 0.940 71 E CB 0.520 30.215 29.700 -0.009 0.000 1.094 71 E HN 0.587 8.947 8.360 -0.000 0.000 0.474 72 K N 0.139 120.540 120.400 0.001 0.000 2.547 72 K HA -0.107 4.210 4.320 -0.004 0.000 0.275 72 K C 0.842 177.442 176.600 0.001 0.000 1.001 72 K CA 0.954 57.244 56.287 0.006 0.000 1.111 72 K CB -0.414 32.092 32.500 0.010 0.000 0.832 72 K HN 0.681 8.931 8.250 -0.000 0.000 0.485 73 G N 2.525 111.329 108.800 0.006 0.000 2.507 73 G HA2 -0.390 3.568 3.960 -0.004 0.000 0.240 73 G HA3 -0.390 3.568 3.960 -0.004 0.000 0.240 73 G C 0.103 175.000 174.900 -0.004 0.000 1.119 73 G CA 0.551 45.654 45.100 0.005 0.000 0.664 73 G HN 0.707 8.997 8.290 -0.000 0.000 0.516 74 R N 0.646 121.134 120.500 -0.021 0.000 2.415 74 R HA 0.493 4.831 4.340 -0.004 0.000 0.292 74 R C -0.145 176.105 176.300 -0.085 0.000 1.295 74 R CA -0.460 55.614 56.100 -0.043 0.000 1.137 74 R CB 1.227 31.503 30.300 -0.039 0.000 1.135 74 R HN 0.321 8.591 8.270 -0.000 0.000 0.560 75 K N 1.501 121.827 120.400 -0.123 0.000 2.118 75 K HA 0.386 4.703 4.320 -0.004 0.000 0.267 75 K C -0.392 175.923 176.600 -0.475 0.000 0.991 75 K CA -0.359 55.786 56.287 -0.236 0.000 0.916 75 K CB 1.095 33.483 32.500 -0.187 0.000 1.041 75 K HN 0.460 8.710 8.250 -0.000 0.000 0.455 76 T N -0.247 114.000 114.554 -0.512 0.000 2.942 76 T HA 0.492 4.840 4.350 -0.004 0.000 0.289 76 T C -0.935 173.305 174.700 -0.767 0.000 1.044 76 T CA -0.724 61.031 62.100 -0.575 0.000 1.023 76 T CB 0.665 69.381 68.868 -0.253 0.000 1.123 76 T HN 0.410 8.650 8.240 -0.000 0.000 0.512 77 Y N -0.851 119.443 120.300 -0.010 0.000 2.570 77 Y HA 0.576 5.123 4.550 -0.004 0.000 0.345 77 Y C -2.682 173.230 175.900 0.021 0.000 1.014 77 Y CA -3.080 55.021 58.100 0.003 0.000 1.063 77 Y CB 0.928 39.394 38.460 0.011 0.000 1.272 77 Y HN 0.455 8.735 8.280 -0.000 0.000 0.477 78 P HA 0.093 4.513 4.420 -0.000 0.000 0.264 78 P C -0.738 176.660 177.300 0.163 0.000 1.183 78 P CA 0.462 63.687 63.100 0.208 0.000 0.763 78 P CB 0.438 32.349 31.700 0.351 0.000 0.807 79 T N 1.872 116.433 114.554 0.013 0.000 2.912 79 T HA 0.592 4.940 4.350 -0.004 0.000 0.299 79 T C -0.432 174.142 174.700 -0.209 0.000 1.052 79 T CA -0.532 61.498 62.100 -0.116 0.000 0.996 79 T CB 1.369 70.176 68.868 -0.101 0.000 1.070 79 T HN 0.296 8.536 8.240 -0.000 0.000 0.465 80 V N -0.220 119.532 119.914 -0.271 0.000 3.078 80 V HA 0.927 5.044 4.120 -0.004 0.000 0.311 80 V C -1.174 174.798 176.094 -0.203 0.000 1.138 80 V CA -1.100 61.023 62.300 -0.294 0.000 1.007 80 V CB 2.250 33.798 31.823 -0.457 0.000 1.045 80 V HN 0.931 9.121 8.190 -0.000 0.000 0.432 81 K N 1.974 122.271 120.400 -0.171 0.000 2.498 81 K HA 0.623 4.941 4.320 -0.004 0.000 0.254 81 K C -1.716 174.786 176.600 -0.164 0.000 0.933 81 K CA -0.900 55.295 56.287 -0.153 0.000 0.806 81 K CB 2.328 34.741 32.500 -0.144 0.000 1.301 81 K HN 0.726 8.976 8.250 -0.000 0.000 0.432 82 I N 3.877 124.362 120.570 -0.141 0.000 2.269 82 I HA 0.163 4.330 4.170 -0.004 0.000 0.293 82 I C -0.152 175.853 176.117 -0.187 0.000 1.106 82 I CA -0.583 60.628 61.300 -0.149 0.000 1.248 82 I CB -0.108 37.861 38.000 -0.050 0.000 1.444 82 I HN 0.547 8.757 8.210 -0.000 0.000 0.497 83 C N 6.611 125.674 119.300 -0.394 0.000 2.435 83 C HA 0.250 4.707 4.460 -0.004 0.000 0.375 83 C C 1.111 175.930 174.990 -0.285 0.000 1.281 83 C CA -0.295 58.491 59.018 -0.386 0.000 1.963 83 C CB -0.481 26.894 27.740 -0.609 0.000 2.490 83 C HN 0.852 9.082 8.230 -0.000 0.000 0.557 84 N N 1.191 119.866 118.700 -0.042 0.000 2.816 84 N HA -0.181 4.556 4.740 -0.004 0.000 0.247 84 N C -0.425 175.094 175.510 0.015 0.000 1.100 84 N CA 0.704 53.768 53.050 0.025 0.000 0.687 84 N CB -1.475 37.027 38.487 0.025 0.000 1.003 84 N HN 0.953 9.333 8.380 -0.000 0.000 0.554 85 Y N 0.467 120.718 120.300 -0.083 0.000 2.986 85 Y HA 0.201 4.749 4.550 -0.004 0.000 0.342 85 Y C 0.554 176.437 175.900 -0.029 0.000 1.275 85 Y CA -0.262 57.802 58.100 -0.060 0.000 1.527 85 Y CB 0.469 38.896 38.460 -0.054 0.000 1.296 85 Y HN 0.259 8.539 8.280 -0.000 0.000 0.628 86 E N 2.952 123.113 120.200 -0.065 0.000 2.283 86 E HA 0.506 4.854 4.350 -0.004 0.000 0.258 86 E C -0.166 176.434 176.600 0.001 0.000 0.893 86 E CA -0.190 56.128 56.400 -0.137 0.000 0.798 86 E CB 0.723 30.371 29.700 -0.086 0.000 1.242 86 E HN 1.320 9.680 8.360 -0.000 0.000 0.414 87 G N 4.082 112.891 108.800 0.015 0.000 2.881 87 G HA2 -0.214 3.743 3.960 -0.004 0.000 0.681 87 G HA3 -0.214 3.743 3.960 -0.004 0.000 0.681 87 G C -2.494 172.488 174.900 0.136 0.000 1.567 87 G CA -0.800 44.347 45.100 0.079 0.000 1.013 87 G HN 0.469 8.759 8.290 -0.000 0.000 0.580 88 P HA 0.462 4.882 4.420 -0.000 0.000 0.269 88 P C 0.328 177.683 177.300 0.092 0.000 1.217 88 P CA 0.863 64.020 63.100 0.095 0.000 0.783 88 P CB 0.829 32.568 31.700 0.065 0.000 0.898 89 A N 1.549 124.421 122.820 0.087 0.000 2.437 89 A HA 0.731 5.048 4.320 -0.004 0.000 0.288 89 A C -0.945 176.710 177.584 0.118 0.000 1.201 89 A CA -0.466 51.633 52.037 0.105 0.000 0.795 89 A CB 1.436 20.496 19.000 0.101 0.000 1.359 89 A HN 0.434 8.584 8.150 -0.000 0.000 0.435 90 K N 1.106 121.607 120.400 0.168 0.000 2.463 90 K HA 0.609 4.926 4.320 -0.004 0.000 0.255 90 K C -1.900 174.857 176.600 0.261 0.000 0.942 90 K CA -0.225 56.181 56.287 0.199 0.000 0.814 90 K CB 0.908 33.527 32.500 0.198 0.000 1.122 90 K HN 0.634 8.884 8.250 -0.000 0.000 0.425 91 I N 4.002 124.715 120.570 0.239 0.000 2.404 91 I HA 0.261 4.428 4.170 -0.004 0.000 0.293 91 I C -0.140 176.120 176.117 0.240 0.000 0.992 91 I CA -0.654 60.806 61.300 0.267 0.000 1.149 91 I CB 1.894 40.112 38.000 0.362 0.000 1.315 91 I HN 0.619 8.829 8.210 -0.000 0.000 0.446 92 E N 6.292 126.605 120.200 0.189 0.000 2.266 92 E HA 0.743 5.091 4.350 -0.004 0.000 0.268 92 E C -1.835 174.716 176.600 -0.081 0.000 0.879 92 E CA -0.756 55.683 56.400 0.066 0.000 0.762 92 E CB 2.521 32.297 29.700 0.127 0.000 1.199 92 E HN 0.294 8.654 8.360 -0.000 0.000 0.422 93 V N 1.995 121.750 119.914 -0.265 0.000 2.914 93 V HA 0.575 4.692 4.120 -0.004 0.000 0.314 93 V C -0.798 175.103 176.094 -0.322 0.000 1.084 93 V CA -0.684 61.342 62.300 -0.457 0.000 0.963 93 V CB 1.720 33.065 31.823 -0.797 0.000 1.025 93 V HN 0.958 9.148 8.190 -0.000 0.000 0.432 94 D N 1.823 122.032 120.400 -0.318 0.000 2.653 94 D HA 0.299 4.936 4.640 -0.004 0.000 0.258 94 D C -1.277 174.896 176.300 -0.211 0.000 1.252 94 D CA -0.692 53.180 54.000 -0.212 0.000 0.777 94 D CB 1.738 42.464 40.800 -0.123 0.000 1.339 94 D HN 0.404 8.774 8.370 -0.000 0.000 0.422 95 L N 0.735 121.863 121.223 -0.158 0.000 2.313 95 L HA 0.444 4.782 4.340 -0.004 0.000 0.282 95 L C 0.537 177.376 176.870 -0.053 0.000 1.092 95 L CA -0.872 53.884 54.840 -0.139 0.000 0.831 95 L CB 1.030 42.992 42.059 -0.161 0.000 1.159 95 L HN 0.373 8.603 8.230 -0.000 0.000 0.442 96 V N -0.217 119.670 119.914 -0.044 0.000 2.769 96 V HA 0.636 4.754 4.120 -0.004 0.000 0.312 96 V C 0.477 176.622 176.094 0.084 0.000 1.058 96 V CA -0.776 61.534 62.300 0.015 0.000 0.952 96 V CB 1.518 33.336 31.823 -0.009 0.000 1.019 96 V HN 0.799 8.989 8.190 -0.000 0.000 0.445 97 T N -1.005 113.616 114.554 0.112 0.000 2.795 97 T HA 0.083 4.431 4.350 -0.004 0.000 0.314 97 T C 0.998 175.790 174.700 0.154 0.000 1.069 97 T CA 0.909 63.111 62.100 0.171 0.000 1.071 97 T CB 0.073 68.972 68.868 0.052 0.000 0.988 97 T HN 1.010 9.250 8.240 -0.000 0.000 0.543 98 H N 0.663 119.763 119.070 0.050 0.000 2.462 98 H HA 0.002 4.556 4.556 -0.004 0.000 0.292 98 H C 0.759 176.093 175.328 0.009 0.000 1.049 98 H CA 0.403 56.459 56.048 0.014 0.000 1.334 98 H CB -0.132 29.631 29.762 0.002 0.000 1.404 98 H HN 0.755 9.035 8.280 -0.000 0.000 0.544 99 S N 1.051 116.729 115.700 -0.036 0.000 2.560 99 S HA -0.090 4.378 4.470 -0.004 0.000 0.284 99 S C 0.813 175.371 174.600 -0.071 0.000 1.327 99 S CA -0.326 57.807 58.200 -0.112 0.000 1.055 99 S CB 1.346 64.508 63.200 -0.063 0.000 0.868 99 S HN 0.349 8.659 8.310 -0.000 0.000 0.506 100 D N 2.742 123.093 120.400 -0.082 0.000 2.182 100 D HA -0.069 4.569 4.640 -0.004 0.000 0.193 100 D C -1.595 174.692 176.300 -0.022 0.000 0.999 100 D CA 0.977 54.950 54.000 -0.046 0.000 0.850 100 D CB -1.625 39.149 40.800 -0.044 0.000 0.994 100 D HN 0.432 8.802 8.370 -0.000 0.000 0.450 101 P HA 0.092 4.512 4.420 -0.000 0.000 0.258 101 P C -2.407 174.887 177.300 -0.010 0.000 1.214 101 P CA -0.554 62.538 63.100 -0.013 0.000 0.872 101 P CB 0.294 31.984 31.700 -0.016 0.000 0.890 102 P HA 0.031 4.451 4.420 -0.000 0.000 0.259 102 P C -0.092 177.206 177.300 -0.002 0.000 1.211 102 P CA 0.264 63.366 63.100 0.003 0.000 0.810 102 P CB 0.456 32.161 31.700 0.008 0.000 0.815 103 R N 3.771 124.267 120.500 -0.007 0.000 2.664 103 R HA 0.628 4.965 4.340 -0.004 0.000 0.286 103 R C -0.386 175.905 176.300 -0.015 0.000 0.967 103 R CA -1.089 55.001 56.100 -0.016 0.000 0.933 103 R CB 1.020 31.302 30.300 -0.029 0.000 1.146 103 R HN 0.472 8.742 8.270 -0.000 0.000 0.468 104 A N 2.858 125.667 122.820 -0.018 0.000 2.584 104 A HA 0.024 4.342 4.320 -0.004 0.000 0.239 104 A C -0.418 177.155 177.584 -0.018 0.000 1.043 104 A CA 0.496 52.525 52.037 -0.013 0.000 0.756 104 A CB -0.423 18.565 19.000 -0.020 0.000 0.963 104 A HN 0.825 8.975 8.150 -0.000 0.000 0.511 105 H N 1.528 120.544 119.070 -0.089 0.000 2.505 105 H HA 0.476 5.029 4.556 -0.004 0.000 0.351 105 H C 1.226 176.478 175.328 -0.127 0.000 1.151 105 H CA 0.410 56.381 56.048 -0.130 0.000 1.339 105 H CB 1.403 31.070 29.762 -0.159 0.000 1.483 105 H HN 0.697 8.977 8.280 -0.000 0.000 0.558 106 A N 3.182 125.898 122.820 -0.173 0.000 2.019 106 A HA -0.102 4.215 4.320 -0.004 0.000 0.219 106 A C 0.411 178.062 177.584 0.112 0.000 1.164 106 A CA 0.829 52.831 52.037 -0.058 0.000 0.644 106 A CB -0.505 18.414 19.000 -0.136 0.000 0.805 106 A HN 0.672 8.822 8.150 -0.000 0.000 0.449 107 H N -0.012 119.174 119.070 0.193 0.000 2.629 107 H HA 0.535 5.088 4.556 -0.004 0.000 0.357 107 H C -0.216 175.058 175.328 -0.090 0.000 1.121 107 H CA -0.591 55.432 56.048 -0.042 0.000 1.406 107 H CB 0.808 30.400 29.762 -0.283 0.000 1.456 107 H HN 0.179 8.459 8.280 -0.000 0.000 0.579 108 S N 1.726 117.431 115.700 0.007 0.000 2.536 108 S HA 0.403 4.870 4.470 -0.004 0.000 0.298 108 S C 0.158 174.700 174.600 -0.096 0.000 1.083 108 S CA -0.883 57.290 58.200 -0.044 0.000 0.995 108 S CB 1.552 64.739 63.200 -0.021 0.000 1.058 108 S HN 0.328 8.638 8.310 -0.000 0.000 0.488 109 L N 2.215 123.376 121.223 -0.104 0.000 2.426 109 L HA 0.444 4.782 4.340 -0.004 0.000 0.271 109 L C -0.303 176.526 176.870 -0.068 0.000 1.169 109 L CA -0.229 54.545 54.840 -0.110 0.000 0.836 109 L CB 0.628 42.608 42.059 -0.133 0.000 1.112 109 L HN 0.317 8.547 8.230 -0.000 0.000 0.465 110 V N 1.677 121.564 119.914 -0.045 0.000 2.914 110 V HA 0.936 5.054 4.120 -0.004 0.000 0.314 110 V C 0.348 176.439 176.094 -0.004 0.000 1.084 110 V CA 0.551 62.840 62.300 -0.019 0.000 0.963 110 V CB 1.793 33.613 31.823 -0.005 0.000 1.025 110 V HN 1.048 9.238 8.190 -0.000 0.000 0.432 111 G N 3.492 112.292 108.800 -0.002 0.000 2.384 111 G HA2 -0.103 3.855 3.960 -0.004 0.000 0.204 111 G HA3 -0.103 3.855 3.960 -0.004 0.000 0.204 111 G C -0.441 174.459 174.900 -0.000 0.000 1.237 111 G CA -0.144 44.957 45.100 0.003 0.000 1.060 111 G HN 1.089 9.379 8.290 -0.000 0.000 0.514 112 K N 1.297 121.699 120.400 0.002 0.000 2.473 112 K HA 0.305 4.623 4.320 -0.004 0.000 0.277 112 K C 1.035 177.648 176.600 0.021 0.000 1.052 112 K CA 1.719 58.011 56.287 0.008 0.000 1.114 112 K CB -0.333 32.168 32.500 0.001 0.000 0.869 112 K HN 0.785 9.035 8.250 -0.000 0.000 0.481 113 Q N 1.051 120.863 119.800 0.019 0.000 2.480 113 Q HA -0.270 4.068 4.340 -0.004 0.000 0.265 113 Q C -0.899 175.107 176.000 0.010 0.000 1.072 113 Q CA 0.833 56.651 55.803 0.025 0.000 1.018 113 Q CB -2.363 26.408 28.738 0.055 0.000 1.433 113 Q HN 0.625 8.895 8.270 -0.000 0.000 0.513 114 C N 1.483 120.780 119.300 -0.005 0.000 2.329 114 C HA 0.519 4.976 4.460 -0.004 0.000 0.329 114 C C 1.186 176.165 174.990 -0.018 0.000 1.275 114 C CA -0.327 58.677 59.018 -0.024 0.000 1.726 114 C CB 1.136 28.856 27.740 -0.034 0.000 2.291 114 C HN 0.524 8.754 8.230 -0.000 0.000 0.514 115 S N 1.893 117.579 115.700 -0.022 0.000 2.617 115 S HA 0.190 4.658 4.470 -0.004 0.000 0.269 115 S C 0.483 175.072 174.600 -0.019 0.000 1.292 115 S CA -0.453 57.736 58.200 -0.018 0.000 1.010 115 S CB 0.499 63.688 63.200 -0.020 0.000 0.944 115 S HN 0.763 9.073 8.310 -0.000 0.000 0.536 116 E N 0.422 120.614 120.200 -0.013 0.000 2.533 116 E HA 0.025 4.373 4.350 -0.004 0.000 0.201 116 E C 0.598 177.192 176.600 -0.010 0.000 1.097 116 E CA 0.398 56.792 56.400 -0.010 0.000 0.887 116 E CB -0.483 29.213 29.700 -0.006 0.000 0.855 116 E HN 0.566 8.926 8.360 -0.000 0.000 0.540 117 L N -1.231 119.982 121.223 -0.016 0.000 2.817 117 L HA 0.266 4.603 4.340 -0.004 0.000 0.248 117 L C 1.154 178.009 176.870 -0.024 0.000 1.133 117 L CA 0.223 55.053 54.840 -0.016 0.000 0.935 117 L CB 0.654 42.703 42.059 -0.018 0.000 1.266 117 L HN 0.250 8.480 8.230 -0.000 0.000 0.535 118 G N 1.450 110.229 108.800 -0.034 0.000 2.131 118 G HA2 -0.205 3.752 3.960 -0.004 0.000 0.201 118 G HA3 -0.205 3.752 3.960 -0.004 0.000 0.201 118 G C -0.371 174.485 174.900 -0.072 0.000 1.000 118 G CA -0.459 44.610 45.100 -0.053 0.000 0.680 118 G HN 0.104 8.394 8.290 -0.000 0.000 0.514 119 I N 0.569 121.103 120.570 -0.061 0.000 2.377 119 I HA 0.582 4.749 4.170 -0.004 0.000 0.293 119 I C 0.662 176.735 176.117 -0.073 0.000 0.987 119 I CA -1.424 59.834 61.300 -0.070 0.000 1.185 119 I CB 1.525 39.499 38.000 -0.043 0.000 1.341 119 I HN 0.277 8.487 8.210 -0.000 0.000 0.455 120 C N 6.424 125.659 119.300 -0.110 0.000 2.329 120 C HA 0.925 5.383 4.460 -0.004 0.000 0.329 120 C C -0.055 174.900 174.990 -0.058 0.000 1.275 120 C CA -0.234 58.723 59.018 -0.102 0.000 1.726 120 C CB -0.299 27.319 27.740 -0.204 0.000 2.291 120 C HN 0.883 9.113 8.230 -0.000 0.000 0.514 121 A N 5.702 128.527 122.820 0.007 0.000 2.381 121 A HA 0.792 5.110 4.320 -0.004 0.000 0.299 121 A C -0.613 177.030 177.584 0.098 0.000 1.049 121 A CA -0.145 51.926 52.037 0.056 0.000 0.715 121 A CB 1.165 20.188 19.000 0.037 0.000 1.222 121 A HN 1.965 10.115 8.150 -0.000 0.000 0.428 122 V N -0.698 119.310 119.914 0.158 0.000 3.160 122 V HA 0.928 5.046 4.120 -0.004 0.000 0.310 122 V C -0.272 175.905 176.094 0.139 0.000 1.181 122 V CA -0.712 61.687 62.300 0.164 0.000 1.047 122 V CB 1.811 33.787 31.823 0.256 0.000 1.068 122 V HN 0.758 8.948 8.190 -0.000 0.000 0.441 123 S N 1.144 116.902 115.700 0.097 0.000 2.498 123 S HA 0.666 5.133 4.470 -0.004 0.000 0.317 123 S C -0.414 174.217 174.600 0.052 0.000 1.090 123 S CA -0.501 57.745 58.200 0.077 0.000 1.089 123 S CB 1.365 64.598 63.200 0.055 0.000 0.997 123 S HN 1.404 9.714 8.310 -0.000 0.000 0.470 124 V N 2.079 122.022 119.914 0.047 0.000 2.348 124 V HA 0.734 4.851 4.120 -0.004 0.000 0.270 124 V C 1.021 177.112 176.094 -0.004 0.000 1.037 124 V CA -0.865 61.438 62.300 0.005 0.000 0.872 124 V CB -0.071 31.744 31.823 -0.012 0.000 1.002 124 V HN 0.872 9.062 8.190 -0.000 0.000 0.464 125 G N 5.794 114.581 108.800 -0.021 0.000 3.168 125 G HA2 0.077 4.035 3.960 -0.004 0.000 0.238 125 G HA3 0.077 4.035 3.960 -0.004 0.000 0.238 125 G C -0.593 174.288 174.900 -0.032 0.000 1.256 125 G CA 0.125 45.210 45.100 -0.024 0.000 0.872 125 G HN 0.725 9.015 8.290 -0.000 0.000 0.609 126 P HA -0.033 4.387 4.420 -0.000 0.000 0.226 126 P C 0.965 178.206 177.300 -0.098 0.000 1.153 126 P CA 1.270 64.370 63.100 0.001 0.000 0.777 126 P CB 0.333 32.050 31.700 0.028 0.000 0.794 127 K N -0.359 119.960 120.400 -0.135 0.000 2.312 127 K HA 0.068 4.385 4.320 -0.004 0.000 0.230 127 K C 0.599 177.043 176.600 -0.260 0.000 1.048 127 K CA -0.181 55.982 56.287 -0.206 0.000 0.938 127 K CB -0.746 31.683 32.500 -0.119 0.000 1.139 127 K HN -0.106 8.144 8.250 -0.000 0.000 0.461 128 D N 1.843 122.141 120.400 -0.169 0.000 2.363 128 D HA -0.025 4.612 4.640 -0.004 0.000 0.263 128 D C 0.086 176.289 176.300 -0.163 0.000 1.258 128 D CA 0.276 54.182 54.000 -0.157 0.000 0.907 128 D CB 0.552 41.285 40.800 -0.111 0.000 1.107 128 D HN 0.116 8.486 8.370 -0.000 0.000 0.495 129 M N 2.898 122.384 119.600 -0.191 0.000 2.626 129 M HA 0.082 4.559 4.480 -0.004 0.000 0.262 129 M C 0.299 176.520 176.300 -0.132 0.000 1.256 129 M CA -0.099 55.107 55.300 -0.156 0.000 0.981 129 M CB -1.198 31.296 32.600 -0.178 0.000 1.492 129 M HN 0.295 8.585 8.290 -0.000 0.000 0.474 130 T N -1.134 113.338 114.554 -0.137 0.000 2.829 130 T HA 0.826 5.174 4.350 -0.004 0.000 0.280 130 T C -0.402 174.184 174.700 -0.191 0.000 0.999 130 T CA -0.787 61.221 62.100 -0.153 0.000 0.983 130 T CB 2.641 71.425 68.868 -0.140 0.000 0.968 130 T HN 0.276 8.516 8.240 -0.000 0.000 0.446 131 A N 2.920 125.573 122.820 -0.277 0.000 2.291 131 A HA 0.613 4.931 4.320 -0.004 0.000 0.311 131 A C -0.177 176.991 177.584 -0.694 0.000 1.224 131 A CA -0.820 50.924 52.037 -0.489 0.000 0.821 131 A CB 1.197 19.863 19.000 -0.557 0.000 1.172 131 A HN 0.896 9.046 8.150 -0.000 0.000 0.494 132 Q N 2.744 122.232 119.800 -0.520 0.000 2.430 132 Q HA 0.427 4.765 4.340 -0.004 0.000 0.245 132 Q C -1.553 174.233 176.000 -0.356 0.000 1.021 132 Q CA -0.502 55.105 55.803 -0.328 0.000 0.867 132 Q CB 0.160 28.841 28.738 -0.095 0.000 1.210 132 Q HN 0.606 8.876 8.270 -0.000 0.000 0.487 133 F N 3.640 123.638 119.950 0.079 0.000 2.651 133 F HA 0.066 4.591 4.527 -0.004 0.000 0.347 133 F C 1.443 177.221 175.800 -0.037 0.000 1.284 133 F CA -0.071 57.956 58.000 0.045 0.000 1.175 133 F CB -0.525 38.541 39.000 0.111 0.000 1.542 133 F HN 0.662 8.962 8.300 -0.000 0.000 0.661 134 N N 1.683 120.320 118.700 -0.106 0.000 2.094 134 N HA -0.239 4.499 4.740 -0.004 0.000 0.191 134 N C 0.598 175.833 175.510 -0.459 0.000 1.023 134 N CA 0.858 53.573 53.050 -0.558 0.000 0.857 134 N CB 0.046 38.264 38.487 -0.448 0.000 1.013 134 N HN 0.329 8.709 8.380 -0.000 0.000 0.426 135 N N 0.602 119.208 118.700 -0.157 0.000 2.790 135 N HA 0.197 4.935 4.740 -0.004 0.000 0.256 135 N C -1.840 173.667 175.510 -0.005 0.000 1.409 135 N CA -0.175 52.825 53.050 -0.082 0.000 0.799 135 N CB 0.418 38.864 38.487 -0.069 0.000 1.170 135 N HN 0.121 8.501 8.380 -0.000 0.000 0.507 136 L N 1.327 122.553 121.223 0.006 0.000 2.287 136 L HA 0.653 4.991 4.340 -0.004 0.000 0.287 136 L C 0.987 177.879 176.870 0.036 0.000 1.022 136 L CA -0.829 54.010 54.840 -0.001 0.000 0.814 136 L CB 1.863 43.906 42.059 -0.028 0.000 1.217 136 L HN 0.257 8.487 8.230 -0.000 0.000 0.420 137 G N 2.285 111.127 108.800 0.070 0.000 2.597 137 G HA2 0.661 4.619 3.960 -0.004 0.000 0.317 137 G HA3 0.661 4.619 3.960 -0.004 0.000 0.317 137 G C -1.224 173.709 174.900 0.056 0.000 1.230 137 G CA -0.466 44.744 45.100 0.184 0.000 0.996 137 G HN 0.250 8.540 8.290 -0.000 0.000 0.490 138 V N 0.784 120.710 119.914 0.021 0.000 2.409 138 V HA 0.304 4.422 4.120 -0.004 0.000 0.290 138 V C -0.387 175.547 176.094 -0.267 0.000 1.017 138 V CA -0.574 61.561 62.300 -0.275 0.000 0.841 138 V CB 1.216 32.572 31.823 -0.778 0.000 1.003 138 V HN 0.679 8.869 8.190 -0.000 0.000 0.426 139 L N 5.189 126.285 121.223 -0.213 0.000 2.315 139 L HA 0.444 4.781 4.340 -0.004 0.000 0.283 139 L C 0.190 176.881 176.870 -0.298 0.000 1.089 139 L CA 0.221 54.967 54.840 -0.156 0.000 0.833 139 L CB 0.383 42.405 42.059 -0.062 0.000 1.170 139 L HN 0.654 8.884 8.230 -0.000 0.000 0.442 140 H N 5.366 124.148 119.070 -0.480 0.000 2.800 140 H HA 0.250 4.804 4.556 -0.004 0.000 0.291 140 H C -0.674 174.476 175.328 -0.296 0.000 1.076 140 H CA -0.185 55.419 56.048 -0.741 0.000 1.452 140 H CB 1.022 30.155 29.762 -1.049 0.000 1.461 140 H HN 0.596 8.876 8.280 -0.000 0.000 0.488 141 V N 3.589 123.583 119.914 0.134 0.000 2.686 141 V HA 0.288 4.406 4.120 -0.004 0.000 0.295 141 V C 0.852 177.233 176.094 0.479 0.000 1.055 141 V CA -0.495 61.993 62.300 0.314 0.000 1.050 141 V CB 0.725 32.709 31.823 0.270 0.000 0.984 141 V HN 0.845 9.035 8.190 -0.000 0.000 0.482 142 T N 1.574 116.360 114.554 0.387 0.000 2.828 142 T HA 0.298 4.645 4.350 -0.004 0.000 0.290 142 T C 0.795 175.648 174.700 0.255 0.000 1.019 142 T CA -0.139 62.177 62.100 0.360 0.000 1.031 142 T CB 0.814 69.810 68.868 0.213 0.000 1.001 142 T HN 0.782 9.022 8.240 -0.000 0.000 0.531 143 K N 0.145 120.670 120.400 0.209 0.000 2.283 143 K HA -0.007 4.310 4.320 -0.004 0.000 0.202 143 K C 1.986 178.644 176.600 0.096 0.000 1.048 143 K CA 0.848 57.221 56.287 0.144 0.000 0.948 143 K CB 0.034 32.606 32.500 0.120 0.000 0.742 143 K HN 0.541 8.791 8.250 -0.000 0.000 0.458 144 K N -0.158 120.296 120.400 0.091 0.000 2.426 144 K HA 0.014 4.331 4.320 -0.004 0.000 0.193 144 K C 1.052 177.691 176.600 0.066 0.000 1.028 144 K CA 0.429 56.754 56.287 0.063 0.000 1.047 144 K CB 0.168 32.698 32.500 0.049 0.000 0.821 144 K HN 0.242 8.492 8.250 -0.000 0.000 0.513 145 N N 0.635 119.390 118.700 0.091 0.000 2.439 145 N HA 0.098 4.835 4.740 -0.004 0.000 0.176 145 N C 1.800 177.354 175.510 0.074 0.000 1.029 145 N CA -0.084 53.019 53.050 0.089 0.000 0.886 145 N CB 0.222 38.786 38.487 0.129 0.000 1.057 145 N HN 0.010 8.390 8.380 -0.000 0.000 0.437 146 M N 0.800 120.449 119.600 0.082 0.000 2.147 146 M HA -0.310 4.168 4.480 -0.004 0.000 0.253 146 M C 2.065 178.375 176.300 0.016 0.000 1.075 146 M CA 1.753 57.082 55.300 0.048 0.000 1.085 146 M CB -0.233 32.391 32.600 0.039 0.000 1.305 146 M HN 0.267 8.557 8.290 -0.000 0.000 0.409 147 M N -0.944 118.665 119.600 0.016 0.000 2.065 147 M HA -0.141 4.336 4.480 -0.004 0.000 0.259 147 M C 2.308 178.612 176.300 0.006 0.000 1.071 147 M CA 2.112 57.415 55.300 0.005 0.000 1.109 147 M CB -1.861 30.743 32.600 0.008 0.000 1.313 147 M HN 0.434 8.724 8.290 -0.000 0.000 0.408 148 G N -0.450 108.359 108.800 0.015 0.000 2.440 148 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.218 148 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.218 148 G C 1.456 176.363 174.900 0.013 0.000 1.154 148 G CA 1.624 46.732 45.100 0.014 0.000 0.767 148 G HN 0.458 8.748 8.290 -0.000 0.000 0.552 149 T N 0.791 115.357 114.554 0.020 0.000 2.821 149 T HA -0.100 4.248 4.350 -0.004 0.000 0.267 149 T C 2.329 177.030 174.700 0.002 0.000 1.046 149 T CA 1.440 63.552 62.100 0.020 0.000 1.139 149 T CB -0.156 68.736 68.868 0.039 0.000 0.871 149 T HN 0.143 8.383 8.240 -0.000 0.000 0.454 150 M N 1.777 121.372 119.600 -0.008 0.000 2.099 150 M HA 0.136 4.613 4.480 -0.004 0.000 0.262 150 M C 2.120 178.408 176.300 -0.019 0.000 1.067 150 M CA 1.044 56.329 55.300 -0.026 0.000 1.124 150 M CB -0.688 31.888 32.600 -0.041 0.000 1.353 150 M HN 0.428 8.718 8.290 -0.000 0.000 0.410 151 I N -1.986 118.576 120.570 -0.012 0.000 2.361 151 I HA -0.274 3.894 4.170 -0.004 0.000 0.251 151 I C 2.181 178.293 176.117 -0.008 0.000 1.133 151 I CA 1.696 62.990 61.300 -0.010 0.000 1.413 151 I CB -0.921 37.076 38.000 -0.006 0.000 1.073 151 I HN 0.425 8.635 8.210 -0.000 0.000 0.424 152 Q N 1.616 121.413 119.800 -0.005 0.000 2.119 152 Q HA -0.156 4.181 4.340 -0.004 0.000 0.201 152 Q C 2.086 178.081 176.000 -0.007 0.000 0.972 152 Q CA 1.499 57.299 55.803 -0.004 0.000 0.847 152 Q CB 0.105 28.844 28.738 0.001 0.000 0.903 152 Q HN 0.583 8.853 8.270 -0.000 0.000 0.433 153 K N -0.400 119.995 120.400 -0.010 0.000 2.243 153 K HA -0.047 4.271 4.320 -0.004 0.000 0.201 153 K C 1.736 178.327 176.600 -0.015 0.000 1.051 153 K CA 0.211 56.490 56.287 -0.013 0.000 0.970 153 K CB 0.228 32.718 32.500 -0.016 0.000 0.755 153 K HN 0.150 8.400 8.250 -0.000 0.000 0.465 154 L N 1.738 122.951 121.223 -0.016 0.000 2.240 154 L HA -0.063 4.275 4.340 -0.004 0.000 0.211 154 L C 2.069 178.931 176.870 -0.013 0.000 1.106 154 L CA 1.560 56.390 54.840 -0.017 0.000 0.793 154 L CB -0.380 41.668 42.059 -0.019 0.000 0.927 154 L HN 0.148 8.378 8.230 -0.000 0.000 0.446 155 Q N -1.212 118.581 119.800 -0.011 0.000 1.994 155 Q HA -0.143 4.194 4.340 -0.004 0.000 0.198 155 Q C 2.283 178.277 176.000 -0.010 0.000 0.976 155 Q CA 1.012 56.810 55.803 -0.009 0.000 0.828 155 Q CB -0.178 28.556 28.738 -0.008 0.000 0.894 155 Q HN 0.314 8.584 8.270 -0.000 0.000 0.432 156 R N 0.701 121.195 120.500 -0.010 0.000 2.133 156 R HA -0.204 4.133 4.340 -0.004 0.000 0.247 156 R C 2.350 178.643 176.300 -0.012 0.000 1.151 156 R CA 1.484 57.577 56.100 -0.011 0.000 0.971 156 R CB -0.221 30.072 30.300 -0.012 0.000 0.866 156 R HN 0.377 8.647 8.270 -0.000 0.000 0.447 157 Q N 0.373 120.166 119.800 -0.011 0.000 2.079 157 Q HA -0.155 4.182 4.340 -0.004 0.000 0.200 157 Q C 1.908 177.902 176.000 -0.009 0.000 0.974 157 Q CA 1.085 56.882 55.803 -0.010 0.000 0.840 157 Q CB -0.005 28.727 28.738 -0.011 0.000 0.898 157 Q HN 0.122 8.392 8.270 -0.000 0.000 0.430 158 R N 1.155 121.650 120.500 -0.009 0.000 2.088 158 R HA -0.108 4.230 4.340 -0.004 0.000 0.232 158 R C 2.143 178.439 176.300 -0.008 0.000 1.136 158 R CA 1.380 57.475 56.100 -0.008 0.000 0.926 158 R CB -1.190 29.105 30.300 -0.008 0.000 0.837 158 R HN 0.495 8.765 8.270 -0.000 0.000 0.429 159 L N 0.453 121.670 121.223 -0.009 0.000 2.873 159 L HA 0.254 4.592 4.340 -0.004 0.000 0.252 159 L C 1.162 178.025 176.870 -0.011 0.000 1.266 159 L CA 0.107 54.941 54.840 -0.009 0.000 1.111 159 L CB -0.069 41.985 42.059 -0.009 0.000 1.440 159 L HN -0.072 8.158 8.230 -0.000 0.000 0.427 160 R N 0.497 120.990 120.500 -0.011 0.000 1.654 160 R HA 0.202 4.540 4.340 -0.004 0.000 0.124 160 R C 2.209 178.502 176.300 -0.012 0.000 1.833 160 R CA 1.355 57.447 56.100 -0.013 0.000 1.809 160 R CB -0.662 29.631 30.300 -0.011 0.000 1.113 160 R HN 0.310 8.580 8.270 -0.000 0.000 0.531 161 S N 0.714 116.409 115.700 -0.008 0.000 2.372 161 S HA -0.161 4.307 4.470 -0.004 0.000 0.227 161 S C 0.747 175.344 174.600 -0.006 0.000 1.044 161 S CA 1.474 59.671 58.200 -0.006 0.000 1.050 161 S CB -0.524 62.676 63.200 0.000 0.000 0.901 161 S HN 0.266 8.576 8.310 -0.000 0.000 0.447 162 R N 1.535 122.032 120.500 -0.005 0.000 2.580 162 R HA 0.291 4.629 4.340 -0.004 0.000 0.267 162 R C -2.372 173.924 176.300 -0.006 0.000 1.125 162 R CA -1.808 54.289 56.100 -0.005 0.000 1.188 162 R CB -0.590 29.708 30.300 -0.004 0.000 1.155 162 R HN 0.202 8.472 8.270 -0.000 0.000 0.586 163 P HA -0.131 4.289 4.420 -0.000 0.000 0.270 163 P C -0.260 177.036 177.300 -0.007 0.000 1.216 163 P CA 0.315 63.411 63.100 -0.006 0.000 0.788 163 P CB 0.494 32.191 31.700 -0.005 0.000 0.883 164 Q N -0.045 119.751 119.800 -0.007 0.000 2.197 164 Q HA -0.090 4.248 4.340 -0.004 0.000 0.207 164 Q C 1.299 177.295 176.000 -0.006 0.000 0.984 164 Q CA 1.734 57.533 55.803 -0.007 0.000 0.869 164 Q CB -0.300 28.434 28.738 -0.007 0.000 0.906 164 Q HN 0.692 8.962 8.270 -0.000 0.000 0.426 165 G N -0.971 107.826 108.800 -0.006 0.000 3.015 165 G HA2 0.649 4.606 3.960 -0.004 0.000 0.281 165 G HA3 0.649 4.606 3.960 -0.004 0.000 0.281 165 G C -1.572 173.325 174.900 -0.005 0.000 1.386 165 G CA -0.813 44.284 45.100 -0.005 0.000 0.959 165 G HN 0.029 8.319 8.290 -0.000 0.000 0.522 166 L N 0.800 122.021 121.223 -0.005 0.000 2.349 166 L HA 0.425 4.763 4.340 -0.004 0.000 0.278 166 L C 0.588 177.456 176.870 -0.004 0.000 0.996 166 L CA -0.673 54.164 54.840 -0.005 0.000 0.825 166 L CB 2.060 44.116 42.059 -0.005 0.000 1.243 166 L HN 0.592 8.822 8.230 -0.000 0.000 0.412 167 T N 0.374 114.926 114.554 -0.004 0.000 2.788 167 T HA 0.079 4.427 4.350 -0.004 0.000 0.287 167 T C 1.157 175.855 174.700 -0.003 0.000 1.007 167 T CA -0.109 61.989 62.100 -0.003 0.000 1.005 167 T CB 0.882 69.748 68.868 -0.003 0.000 1.012 167 T HN 0.727 8.967 8.240 -0.000 0.000 0.530 168 E N 0.889 121.087 120.200 -0.003 0.000 2.160 168 E HA -0.138 4.209 4.350 -0.004 0.000 0.195 168 E C 2.208 178.806 176.600 -0.003 0.000 0.991 168 E CA 1.142 57.540 56.400 -0.003 0.000 0.810 168 E CB -0.201 29.497 29.700 -0.002 0.000 0.742 168 E HN 0.706 9.066 8.360 -0.000 0.000 0.466 169 A N 1.346 124.164 122.820 -0.003 0.000 1.898 169 A HA -0.212 4.106 4.320 -0.004 0.000 0.216 169 A C 1.883 179.465 177.584 -0.004 0.000 1.181 169 A CA 1.289 53.324 52.037 -0.004 0.000 0.620 169 A CB -0.315 18.683 19.000 -0.004 0.000 0.819 169 A HN 0.154 8.304 8.150 -0.000 0.000 0.442 170 E N -1.078 119.119 120.200 -0.004 0.000 2.150 170 E HA -0.223 4.124 4.350 -0.004 0.000 0.193 170 E C 2.179 178.775 176.600 -0.006 0.000 0.985 170 E CA 1.287 57.684 56.400 -0.005 0.000 0.814 170 E CB -0.056 29.641 29.700 -0.005 0.000 0.752 170 E HN 0.664 9.024 8.360 -0.000 0.000 0.466 171 Q N 0.762 120.559 119.800 -0.005 0.000 2.187 171 Q HA -0.075 4.262 4.340 -0.004 0.000 0.199 171 Q C 1.881 177.878 176.000 -0.005 0.000 0.957 171 Q CA 1.145 56.945 55.803 -0.005 0.000 0.857 171 Q CB 0.117 28.853 28.738 -0.004 0.000 0.929 171 Q HN -0.078 8.192 8.270 -0.000 0.000 0.453 172 R N 0.808 121.305 120.500 -0.005 0.000 2.075 172 R HA -0.108 4.230 4.340 -0.004 0.000 0.232 172 R C 1.838 178.134 176.300 -0.006 0.000 1.126 172 R CA 1.854 57.951 56.100 -0.005 0.000 0.963 172 R CB -0.272 30.025 30.300 -0.004 0.000 0.858 172 R HN 0.678 8.948 8.270 -0.000 0.000 0.435 173 E N -0.377 119.820 120.200 -0.006 0.000 2.358 173 E HA -0.098 4.250 4.350 -0.004 0.000 0.195 173 E C 1.640 178.234 176.600 -0.009 0.000 1.010 173 E CA 0.430 56.825 56.400 -0.008 0.000 0.856 173 E CB -0.156 29.540 29.700 -0.007 0.000 0.795 173 E HN 0.199 8.559 8.360 -0.000 0.000 0.504 174 L N 1.270 122.487 121.223 -0.009 0.000 2.095 174 L HA -0.034 4.303 4.340 -0.004 0.000 0.204 174 L C 1.874 178.737 176.870 -0.012 0.000 1.080 174 L CA 1.656 56.490 54.840 -0.011 0.000 0.759 174 L CB -0.315 41.738 42.059 -0.009 0.000 0.914 174 L HN 0.185 8.415 8.230 -0.000 0.000 0.439 175 E N -0.765 119.429 120.200 -0.009 0.000 2.268 175 E HA -0.266 4.081 4.350 -0.004 0.000 0.195 175 E C 1.899 178.492 176.600 -0.011 0.000 0.995 175 E CA 0.601 56.996 56.400 -0.009 0.000 0.836 175 E CB 0.180 29.876 29.700 -0.006 0.000 0.763 175 E HN 0.328 8.688 8.360 -0.000 0.000 0.491 176 Q N 1.039 120.832 119.800 -0.011 0.000 2.172 176 Q HA -0.132 4.205 4.340 -0.004 0.000 0.200 176 Q C 1.418 177.409 176.000 -0.015 0.000 0.964 176 Q CA 1.352 57.148 55.803 -0.012 0.000 0.855 176 Q CB 0.195 28.927 28.738 -0.010 0.000 0.918 176 Q HN 0.289 8.559 8.270 -0.000 0.000 0.444 177 E N -0.328 119.862 120.200 -0.017 0.000 2.028 177 E HA -0.166 4.181 4.350 -0.004 0.000 0.191 177 E C 1.935 178.518 176.600 -0.028 0.000 0.988 177 E CA 0.883 57.269 56.400 -0.023 0.000 0.799 177 E CB -0.287 29.399 29.700 -0.024 0.000 0.755 177 E HN 0.451 8.811 8.360 -0.000 0.000 0.447 178 A N 1.973 124.778 122.820 -0.026 0.000 1.896 178 A HA -0.334 3.983 4.320 -0.004 0.000 0.220 178 A C 2.091 179.659 177.584 -0.028 0.000 1.206 178 A CA 2.170 54.189 52.037 -0.029 0.000 0.647 178 A CB -0.561 18.426 19.000 -0.021 0.000 0.828 178 A HN 0.099 8.249 8.150 -0.000 0.000 0.455 179 K N -0.753 119.635 120.400 -0.020 0.000 2.025 179 K HA -0.112 4.206 4.320 -0.004 0.000 0.207 179 K C 1.601 178.189 176.600 -0.021 0.000 1.049 179 K CA 1.432 57.709 56.287 -0.017 0.000 0.933 179 K CB -0.136 32.357 32.500 -0.011 0.000 0.714 179 K HN 0.528 8.778 8.250 -0.000 0.000 0.438 180 E N 0.437 120.623 120.200 -0.022 0.000 2.512 180 E HA -0.089 4.258 4.350 -0.004 0.000 0.195 180 E C 1.279 177.859 176.600 -0.033 0.000 1.083 180 E CA 0.152 56.538 56.400 -0.024 0.000 0.873 180 E CB 0.342 30.030 29.700 -0.020 0.000 0.897 180 E HN 0.181 8.541 8.360 -0.000 0.000 0.514 181 L N 0.274 121.472 121.223 -0.043 0.000 2.425 181 L HA 0.065 4.402 4.340 -0.004 0.000 0.215 181 L C 2.105 178.930 176.870 -0.075 0.000 1.065 181 L CA 1.003 55.806 54.840 -0.061 0.000 0.842 181 L CB 0.029 42.047 42.059 -0.069 0.000 1.033 181 L HN -0.158 8.072 8.230 -0.000 0.000 0.474 182 K N -0.258 120.105 120.400 -0.060 0.000 1.985 182 K HA -0.174 4.144 4.320 -0.004 0.000 0.210 182 K C 1.808 178.382 176.600 -0.043 0.000 1.047 182 K CA 1.224 57.476 56.287 -0.057 0.000 0.932 182 K CB 0.078 32.559 32.500 -0.032 0.000 0.716 182 K HN 0.025 8.275 8.250 -0.000 0.000 0.439 183 K N 0.510 120.893 120.400 -0.028 0.000 2.293 183 K HA -0.124 4.194 4.320 -0.004 0.000 0.204 183 K C 1.692 178.281 176.600 -0.019 0.000 1.045 183 K CA 1.471 57.748 56.287 -0.018 0.000 0.933 183 K CB -0.329 32.163 32.500 -0.013 0.000 0.736 183 K HN 0.377 8.627 8.250 -0.000 0.000 0.463 184 V N -2.752 117.142 119.914 -0.032 0.000 3.159 184 V HA 0.363 4.481 4.120 -0.004 0.000 0.333 184 V C 0.268 176.336 176.094 -0.043 0.000 1.424 184 V CA -0.530 61.752 62.300 -0.030 0.000 1.125 184 V CB -0.153 31.652 31.823 -0.031 0.000 1.075 184 V HN 0.055 8.245 8.190 -0.000 0.000 0.482 185 M N 2.007 121.567 119.600 -0.066 0.000 2.205 185 M HA 0.516 4.994 4.480 -0.004 0.000 0.344 185 M C -0.982 175.285 176.300 -0.055 0.000 1.085 185 M CA -0.343 54.889 55.300 -0.112 0.000 1.001 185 M CB 1.449 33.901 32.600 -0.248 0.000 1.626 185 M HN 0.202 8.492 8.290 -0.000 0.000 0.442 186 D N 5.093 125.505 120.400 0.021 0.000 2.352 186 D HA 0.154 4.792 4.640 -0.004 0.000 0.245 186 D C 0.690 177.088 176.300 0.163 0.000 1.224 186 D CA 0.079 54.138 54.000 0.097 0.000 0.879 186 D CB 0.739 41.621 40.800 0.137 0.000 1.057 186 D HN 0.732 9.102 8.370 -0.000 0.000 0.491 187 L N 2.599 123.905 121.223 0.137 0.000 2.610 187 L HA -0.061 4.276 4.340 -0.004 0.000 0.232 187 L C 1.866 178.925 176.870 0.316 0.000 1.149 187 L CA 0.315 55.274 54.840 0.198 0.000 0.872 187 L CB -0.149 42.029 42.059 0.198 0.000 0.992 187 L HN 0.319 8.549 8.230 -0.000 0.000 0.447 188 S N -1.202 114.619 115.700 0.202 0.000 2.511 188 S HA 0.277 4.745 4.470 -0.004 0.000 0.214 188 S C 0.564 175.182 174.600 0.031 0.000 0.997 188 S CA -0.298 57.963 58.200 0.101 0.000 0.908 188 S CB 0.203 63.436 63.200 0.055 0.000 0.803 188 S HN 0.202 8.512 8.310 -0.000 0.000 0.504 189 I N 2.409 123.013 120.570 0.057 0.000 2.499 189 I HA 0.575 4.743 4.170 -0.004 0.000 0.288 189 I C -0.770 175.317 176.117 -0.050 0.000 1.048 189 I CA -1.154 60.080 61.300 -0.110 0.000 1.062 189 I CB 2.328 40.110 38.000 -0.362 0.000 1.238 189 I HN 0.128 8.338 8.210 -0.000 0.000 0.426 190 V N 3.081 122.958 119.914 -0.061 0.000 3.141 190 V HA 0.732 4.850 4.120 -0.004 0.000 0.312 190 V C -0.883 175.162 176.094 -0.083 0.000 1.157 190 V CA -0.842 61.361 62.300 -0.162 0.000 1.041 190 V CB 2.456 34.070 31.823 -0.348 0.000 1.071 190 V HN 0.759 8.949 8.190 -0.000 0.000 0.441 191 R N 1.425 121.883 120.500 -0.071 0.000 2.621 191 R HA 0.658 4.996 4.340 -0.004 0.000 0.284 191 R C -1.348 174.890 176.300 -0.103 0.000 0.998 191 R CA -0.817 55.258 56.100 -0.042 0.000 0.895 191 R CB 2.353 32.663 30.300 0.017 0.000 1.195 191 R HN 0.730 9.000 8.270 -0.000 0.000 0.450 192 L N 2.612 123.756 121.223 -0.132 0.000 2.371 192 L HA 0.422 4.759 4.340 -0.004 0.000 0.272 192 L C 0.435 177.094 176.870 -0.352 0.000 1.124 192 L CA -0.193 54.448 54.840 -0.331 0.000 0.816 192 L CB 0.627 42.416 42.059 -0.451 0.000 1.129 192 L HN 0.447 8.677 8.230 -0.000 0.000 0.448 193 R N 2.997 123.223 120.500 -0.458 0.000 2.435 193 R HA 0.417 4.755 4.340 -0.004 0.000 0.308 193 R C -1.633 174.421 176.300 -0.410 0.000 0.975 193 R CA -0.522 55.414 56.100 -0.274 0.000 0.867 193 R CB 0.827 31.051 30.300 -0.127 0.000 1.171 193 R HN 0.302 8.572 8.270 -0.000 0.000 0.470 194 F N 2.001 121.930 119.950 -0.035 0.000 2.411 194 F HA 0.347 4.871 4.527 -0.004 0.000 0.350 194 F C 0.390 176.165 175.800 -0.042 0.000 1.114 194 F CA -0.407 57.572 58.000 -0.036 0.000 1.135 194 F CB 2.196 41.209 39.000 0.021 0.000 1.120 194 F HN 0.337 8.637 8.300 -0.000 0.000 0.495 195 S N 2.571 118.327 115.700 0.094 0.000 2.669 195 S HA 0.708 5.175 4.470 -0.004 0.000 0.315 195 S C -0.294 174.202 174.600 -0.174 0.000 1.106 195 S CA -0.649 57.511 58.200 -0.068 0.000 1.107 195 S CB 0.876 64.091 63.200 0.025 0.000 0.990 195 S HN 0.719 9.029 8.310 -0.000 0.000 0.471 196 A N 3.303 125.951 122.820 -0.286 0.000 2.310 196 A HA 0.847 5.165 4.320 -0.004 0.000 0.299 196 A C -0.965 176.272 177.584 -0.577 0.000 1.147 196 A CA -0.276 51.624 52.037 -0.228 0.000 0.818 196 A CB 0.186 19.139 19.000 -0.078 0.000 1.096 196 A HN 0.656 8.806 8.150 -0.000 0.000 0.495 197 F N 1.368 121.357 119.950 0.064 0.000 2.536 197 F HA 0.388 4.912 4.527 -0.004 0.000 0.322 197 F C -0.217 175.611 175.800 0.046 0.000 1.144 197 F CA -0.393 57.637 58.000 0.049 0.000 0.924 197 F CB 1.872 40.897 39.000 0.041 0.000 1.181 197 F HN 0.368 8.668 8.300 -0.000 0.000 0.438 198 L N 4.745 126.080 121.223 0.186 0.000 2.325 198 L HA 0.444 4.781 4.340 -0.004 0.000 0.284 198 L C 0.837 177.787 176.870 0.132 0.000 1.089 198 L CA -0.530 54.385 54.840 0.126 0.000 0.836 198 L CB 0.327 42.434 42.059 0.079 0.000 1.184 198 L HN 0.633 8.863 8.230 -0.000 0.000 0.444 207 L N 3.895 125.241 121.223 0.205 0.000 2.313 207 L HA 0.428 4.765 4.340 -0.004 0.000 0.282 207 L C -2.081 175.025 176.870 0.394 0.000 1.092 207 L CA -1.429 53.551 54.840 0.234 0.000 0.831 207 L CB 0.651 42.790 42.059 0.133 0.000 1.159 207 L HN 0.433 8.663 8.230 -0.000 0.000 0.442 208 P HA 0.341 4.761 4.420 -0.000 0.000 0.279 208 P C -0.859 176.397 177.300 -0.073 0.000 1.252 208 P CA -0.525 62.619 63.100 0.072 0.000 0.811 208 P CB 1.912 33.728 31.700 0.193 0.000 1.035 209 L N 0.216 121.300 121.223 -0.231 0.000 2.279 209 L HA 0.502 4.839 4.340 -0.004 0.000 0.262 209 L C 0.751 177.557 176.870 -0.106 0.000 1.019 209 L CA -1.347 53.426 54.840 -0.112 0.000 0.823 209 L CB 1.848 43.846 42.059 -0.103 0.000 1.358 209 L HN 0.327 8.557 8.230 -0.000 0.000 0.432 210 K N 2.280 122.663 120.400 -0.029 0.000 2.350 210 K HA 0.202 4.520 4.320 -0.004 0.000 0.279 210 K C -2.253 174.336 176.600 -0.018 0.000 1.027 210 K CA -1.144 55.133 56.287 -0.016 0.000 0.969 210 K CB 0.700 33.207 32.500 0.010 0.000 0.954 210 K HN 0.223 8.473 8.250 -0.000 0.000 0.474 211 P HA 0.054 4.474 4.420 -0.000 0.000 0.281 211 P C -1.020 176.315 177.300 0.058 0.000 1.252 211 P CA -0.378 62.729 63.100 0.011 0.000 0.778 211 P CB 1.094 32.797 31.700 0.005 0.000 0.895 212 V N 5.765 125.748 119.914 0.116 0.000 2.347 212 V HA 0.278 4.396 4.120 -0.004 0.000 0.280 212 V C 0.692 176.917 176.094 0.218 0.000 1.021 212 V CA -0.593 61.797 62.300 0.150 0.000 0.847 212 V CB 0.937 32.846 31.823 0.145 0.000 0.990 212 V HN 0.415 8.605 8.190 -0.000 0.000 0.444 213 I N 4.797 125.453 120.570 0.143 0.000 2.342 213 I HA 0.330 4.498 4.170 -0.004 0.000 0.291 213 I C 0.985 177.193 176.117 0.151 0.000 1.010 213 I CA 0.053 61.430 61.300 0.127 0.000 1.308 213 I CB 1.611 39.652 38.000 0.070 0.000 1.400 213 I HN 0.736 8.946 8.210 -0.000 0.000 0.488 214 S N 5.644 121.455 115.700 0.184 0.000 2.641 214 S HA 0.253 4.721 4.470 -0.004 0.000 0.261 214 S C -0.063 174.604 174.600 0.112 0.000 1.257 214 S CA -0.836 57.471 58.200 0.179 0.000 0.983 214 S CB 0.799 64.151 63.200 0.255 0.000 0.990 214 S HN 0.667 8.977 8.310 -0.000 0.000 0.572 215 Q N -0.344 119.517 119.800 0.101 0.000 2.443 215 Q HA 0.402 4.739 4.340 -0.004 0.000 0.232 215 Q C -2.655 173.381 176.000 0.061 0.000 1.026 215 Q CA -1.743 54.111 55.803 0.085 0.000 0.924 215 Q CB -1.033 27.753 28.738 0.081 0.000 1.256 215 Q HN 0.337 8.607 8.270 -0.000 0.000 0.519 216 P HA 0.037 4.457 4.420 -0.000 0.000 0.269 216 P C -0.906 176.363 177.300 -0.051 0.000 1.217 216 P CA 0.402 63.440 63.100 -0.103 0.000 0.783 216 P CB 0.394 31.912 31.700 -0.304 0.000 0.898 217 I N 1.906 122.422 120.570 -0.089 0.000 2.468 217 I HA 0.232 4.399 4.170 -0.004 0.000 0.284 217 I C 0.239 176.380 176.117 0.040 0.000 1.038 217 I CA -0.559 60.792 61.300 0.084 0.000 1.083 217 I CB 1.006 39.110 38.000 0.173 0.000 1.223 217 I HN 0.331 8.541 8.210 -0.000 0.000 0.443 218 H N 3.924 123.010 119.070 0.027 0.000 2.487 218 H HA 0.159 4.712 4.556 -0.004 0.000 0.333 218 H C -0.747 174.388 175.328 -0.322 0.000 1.114 218 H CA -0.627 55.357 56.048 -0.106 0.000 1.310 218 H CB 1.973 31.675 29.762 -0.099 0.000 1.462 218 H HN 0.452 8.732 8.280 -0.000 0.000 0.516 219 D N 1.592 121.626 120.400 -0.610 0.000 2.358 219 D HA -0.052 4.586 4.640 -0.004 0.000 0.258 219 D C 1.090 177.149 176.300 -0.402 0.000 1.223 219 D CA -0.039 53.318 54.000 -1.073 0.000 0.886 219 D CB 0.841 40.908 40.800 -1.223 0.000 1.120 219 D HN 0.565 8.935 8.370 -0.000 0.000 0.482 220 S N 3.329 118.857 115.700 -0.286 0.000 2.469 220 S HA -0.174 4.294 4.470 -0.004 0.000 0.238 220 S C 1.588 176.113 174.600 -0.126 0.000 0.998 220 S CA 0.606 58.723 58.200 -0.139 0.000 0.957 220 S CB 0.073 63.223 63.200 -0.084 0.000 0.764 220 S HN 0.317 8.627 8.310 -0.000 0.000 0.514 221 K N 2.055 122.356 120.400 -0.165 0.000 2.400 221 K HA 0.273 4.590 4.320 -0.004 0.000 0.194 221 K C 0.704 177.265 176.600 -0.065 0.000 1.033 221 K CA 0.010 56.239 56.287 -0.095 0.000 1.021 221 K CB -0.023 32.428 32.500 -0.081 0.000 0.808 221 K HN 0.365 8.615 8.250 -0.000 0.000 0.505 222 S N 1.041 116.689 115.700 -0.086 0.000 2.510 222 S HA 0.139 4.606 4.470 -0.004 0.000 0.279 222 S C -1.820 172.758 174.600 -0.036 0.000 1.284 222 S CA -1.383 56.798 58.200 -0.032 0.000 1.059 222 S CB 0.757 63.941 63.200 -0.027 0.000 0.901 222 S HN -0.007 8.303 8.310 -0.000 0.000 0.491 223 P HA -0.096 4.324 4.420 -0.000 0.000 0.220 223 P C 0.836 178.104 177.300 -0.054 0.000 1.155 223 P CA 1.537 64.609 63.100 -0.047 0.000 0.880 223 P CB -0.073 31.604 31.700 -0.040 0.000 0.790 224 G N -2.061 106.718 108.800 -0.034 0.000 3.949 224 G HA2 0.401 4.359 3.960 -0.004 0.000 0.295 224 G HA3 0.401 4.359 3.960 -0.004 0.000 0.295 224 G C 0.606 175.484 174.900 -0.036 0.000 1.286 224 G CA 0.470 45.549 45.100 -0.035 0.000 1.171 224 G HN 0.340 8.630 8.290 -0.000 0.000 0.586 225 A N -0.631 122.157 122.820 -0.053 0.000 2.664 225 A HA 0.587 4.904 4.320 -0.004 0.000 0.222 225 A C 1.062 178.589 177.584 -0.095 0.000 1.320 225 A CA 0.287 52.283 52.037 -0.068 0.000 1.029 225 A CB 0.216 19.226 19.000 0.016 0.000 1.318 225 A HN 0.377 8.527 8.150 -0.000 0.000 0.589 226 S N 0.575 116.230 115.700 -0.076 0.000 2.641 226 S HA 0.270 4.738 4.470 -0.004 0.000 0.261 226 S C 0.072 174.637 174.600 -0.057 0.000 1.257 226 S CA -0.511 57.655 58.200 -0.056 0.000 0.983 226 S CB 0.137 63.315 63.200 -0.036 0.000 0.990 226 S HN 0.430 8.740 8.310 -0.000 0.000 0.572 227 N N 1.895 120.578 118.700 -0.029 0.000 2.452 227 N HA 0.142 4.879 4.740 -0.004 0.000 0.266 227 N C -0.747 174.750 175.510 -0.022 0.000 1.209 227 N CA 0.240 53.276 53.050 -0.023 0.000 0.929 227 N CB -0.136 38.352 38.487 0.001 0.000 1.063 227 N HN 0.450 8.830 8.380 -0.000 0.000 0.472 228 L N 2.501 123.706 121.223 -0.031 0.000 2.418 228 L HA 0.148 4.486 4.340 -0.004 0.000 0.274 228 L C 0.857 177.721 176.870 -0.010 0.000 1.135 228 L CA 0.364 55.188 54.840 -0.026 0.000 0.870 228 L CB 0.284 42.321 42.059 -0.036 0.000 1.154 228 L HN 0.315 8.545 8.230 -0.000 0.000 0.462 229 K N 4.409 124.811 120.400 0.003 0.000 2.482 229 K HA 0.537 4.855 4.320 -0.004 0.000 0.251 229 K C -1.137 175.478 176.600 0.025 0.000 0.936 229 K CA -0.617 55.679 56.287 0.016 0.000 0.791 229 K CB 1.639 34.154 32.500 0.024 0.000 1.213 229 K HN 0.445 8.695 8.250 -0.000 0.000 0.428 230 I N 3.580 124.166 120.570 0.027 0.000 2.297 230 I HA 0.056 4.223 4.170 -0.004 0.000 0.291 230 I C 1.128 177.273 176.117 0.047 0.000 1.033 230 I CA -0.174 61.149 61.300 0.039 0.000 1.253 230 I CB 1.669 39.692 38.000 0.038 0.000 1.396 230 I HN 0.757 8.967 8.210 -0.000 0.000 0.476 231 S N 7.115 122.847 115.700 0.053 0.000 2.329 231 S HA 0.092 4.559 4.470 -0.004 0.000 0.215 231 S C 0.738 175.368 174.600 0.051 0.000 1.031 231 S CA 0.787 59.016 58.200 0.048 0.000 0.985 231 S CB 0.255 63.485 63.200 0.049 0.000 0.917 231 S HN 0.760 9.070 8.310 -0.000 0.000 0.441 232 R N -0.119 120.419 120.500 0.064 0.000 2.712 232 R HA 0.525 4.863 4.340 -0.004 0.000 0.272 232 R C -1.293 175.062 176.300 0.091 0.000 1.032 232 R CA -0.920 55.221 56.100 0.068 0.000 0.874 232 R CB 0.987 31.319 30.300 0.053 0.000 1.256 232 R HN 0.451 8.721 8.270 -0.000 0.000 0.468 233 M N -0.153 119.504 119.600 0.096 0.000 2.550 233 M HA 0.423 4.901 4.480 -0.004 0.000 0.292 233 M C -0.668 175.688 176.300 0.093 0.000 1.221 233 M CA -0.830 54.544 55.300 0.123 0.000 0.873 233 M CB 2.177 34.877 32.600 0.165 0.000 1.727 233 M HN 0.531 8.821 8.290 -0.000 0.000 0.459 234 D N 2.026 122.479 120.400 0.089 0.000 2.177 234 D HA -0.139 4.499 4.640 -0.004 0.000 0.189 234 D C 0.003 176.312 176.300 0.015 0.000 1.002 234 D CA 2.108 56.123 54.000 0.024 0.000 0.845 234 D CB 0.292 41.088 40.800 -0.006 0.000 0.960 234 D HN 0.699 9.069 8.370 -0.000 0.000 0.447 235 K N -2.369 118.066 120.400 0.059 0.000 2.435 235 K HA 0.519 4.836 4.320 -0.004 0.000 0.251 235 K C -0.241 176.454 176.600 0.157 0.000 0.954 235 K CA -0.572 55.753 56.287 0.063 0.000 0.820 235 K CB 1.925 34.455 32.500 0.049 0.000 1.292 235 K HN -0.050 8.200 8.250 -0.000 0.000 0.436 236 T N -2.538 112.036 114.554 0.034 0.000 3.145 236 T HA 0.484 4.832 4.350 -0.004 0.000 0.281 236 T C 0.041 174.438 174.700 -0.505 0.000 1.003 236 T CA -0.144 61.952 62.100 -0.007 0.000 0.901 236 T CB 0.334 69.197 68.868 -0.009 0.000 1.112 236 T HN 0.718 8.958 8.240 -0.000 0.000 0.535 237 A N -0.364 122.067 122.820 -0.648 0.000 2.594 237 A HA 0.948 5.265 4.320 -0.004 0.000 0.295 237 A C -0.249 176.987 177.584 -0.579 0.000 1.071 237 A CA -0.409 51.122 52.037 -0.844 0.000 0.685 237 A CB 1.382 20.202 19.000 -0.300 0.000 1.285 237 A HN 0.900 9.050 8.150 -0.000 0.000 0.405 238 G N -0.649 107.895 108.800 -0.428 0.000 2.495 238 G HA2 0.610 4.567 3.960 -0.004 0.000 0.294 238 G HA3 0.610 4.567 3.960 -0.004 0.000 0.294 238 G C -0.440 174.551 174.900 0.153 0.000 1.397 238 G CA 0.277 45.377 45.100 -0.000 0.000 0.790 238 G HN 1.655 9.945 8.290 -0.000 0.000 0.486 239 S N -1.053 114.763 115.700 0.193 0.000 2.560 239 S HA 0.116 4.583 4.470 -0.004 0.000 0.284 239 S C 1.613 176.426 174.600 0.354 0.000 1.327 239 S CA 0.273 58.607 58.200 0.222 0.000 1.055 239 S CB 1.312 64.597 63.200 0.140 0.000 0.868 239 S HN 1.508 9.818 8.310 -0.000 0.000 0.506 240 V N 5.920 125.991 119.914 0.262 0.000 3.026 240 V HA -0.064 4.054 4.120 -0.004 0.000 0.265 240 V C 2.442 178.581 176.094 0.075 0.000 1.121 240 V CA 2.147 64.528 62.300 0.136 0.000 1.142 240 V CB -0.781 31.042 31.823 -0.001 0.000 0.730 240 V HN 0.930 9.120 8.190 -0.000 0.000 0.503 241 R N 0.138 120.708 120.500 0.117 0.000 2.235 241 R HA 0.155 4.493 4.340 -0.004 0.000 0.213 241 R C 1.022 177.393 176.300 0.118 0.000 1.059 241 R CA 0.756 56.907 56.100 0.084 0.000 0.997 241 R CB -0.287 30.056 30.300 0.071 0.000 0.884 241 R HN 0.639 8.909 8.270 -0.000 0.000 0.462 242 G N -1.418 107.505 108.800 0.205 0.000 2.797 242 G HA2 -0.028 3.929 3.960 -0.004 0.000 0.686 242 G HA3 -0.028 3.929 3.960 -0.004 0.000 0.686 242 G C 0.374 175.359 174.900 0.141 0.000 1.452 242 G CA -0.187 45.039 45.100 0.211 0.000 0.986 242 G HN 0.635 8.925 8.290 -0.000 0.000 0.595 243 G N 0.602 109.477 108.800 0.124 0.000 2.198 243 G HA2 -0.085 3.873 3.960 -0.004 0.000 0.156 243 G HA3 -0.085 3.873 3.960 -0.004 0.000 0.156 243 G C -0.114 174.836 174.900 0.084 0.000 1.012 243 G CA 0.556 45.714 45.100 0.097 0.000 0.692 243 G HN 1.057 9.347 8.290 -0.000 0.000 0.492 244 D N 1.283 121.741 120.400 0.096 0.000 2.312 244 D HA 0.303 4.940 4.640 -0.004 0.000 0.252 244 D C 0.397 176.701 176.300 0.007 0.000 1.150 244 D CA 0.062 54.107 54.000 0.076 0.000 0.870 244 D CB 1.456 42.343 40.800 0.144 0.000 1.153 244 D HN 0.534 8.904 8.370 -0.000 0.000 0.457 245 E N 2.076 122.271 120.200 -0.008 0.000 2.257 245 E HA 0.242 4.589 4.350 -0.004 0.000 0.278 245 E C -1.133 175.401 176.600 -0.109 0.000 1.049 245 E CA -0.510 55.860 56.400 -0.050 0.000 0.876 245 E CB 0.736 30.459 29.700 0.040 0.000 1.035 245 E HN 0.051 8.411 8.360 -0.000 0.000 0.419 246 V N 5.602 125.314 119.914 -0.337 0.000 2.495 246 V HA 0.208 4.326 4.120 -0.004 0.000 0.298 246 V C -0.949 175.091 176.094 -0.090 0.000 1.031 246 V CA -0.841 61.260 62.300 -0.332 0.000 0.871 246 V CB 1.056 32.440 31.823 -0.732 0.000 0.988 246 V HN 0.609 8.799 8.190 -0.000 0.000 0.432 247 Y N 4.666 124.892 120.300 -0.124 0.000 2.367 247 Y HA 0.576 5.124 4.550 -0.003 0.000 0.342 247 Y C -0.060 175.869 175.900 0.048 0.000 0.979 247 Y CA -0.917 57.168 58.100 -0.025 0.000 1.161 247 Y CB 1.466 39.912 38.460 -0.023 0.000 1.155 247 Y HN 0.519 8.799 8.280 -0.000 0.000 0.503 248 L N 5.227 126.587 121.223 0.227 0.000 2.313 248 L HA 0.556 4.894 4.340 -0.004 0.000 0.283 248 L C -1.290 175.657 176.870 0.127 0.000 1.013 248 L CA -0.509 54.456 54.840 0.208 0.000 0.816 248 L CB 0.771 43.004 42.059 0.289 0.000 1.236 248 L HN 0.484 8.714 8.230 -0.000 0.000 0.419 249 L N 5.464 126.757 121.223 0.117 0.000 2.275 249 L HA 0.516 4.853 4.340 -0.004 0.000 0.288 249 L C -0.318 176.608 176.870 0.092 0.000 1.046 249 L CA -0.635 54.267 54.840 0.103 0.000 0.805 249 L CB 1.050 43.164 42.059 0.092 0.000 1.193 249 L HN 0.770 9.000 8.230 -0.000 0.000 0.426 250 C N -0.566 118.798 119.300 0.107 0.000 3.213 250 C HA 0.612 5.070 4.460 -0.004 0.000 0.319 250 C C -0.241 174.847 174.990 0.163 0.000 1.386 250 C CA -1.106 57.968 59.018 0.093 0.000 1.494 250 C CB 1.790 29.553 27.740 0.038 0.000 1.905 250 C HN 0.611 8.841 8.230 -0.000 0.000 0.456 251 D N 0.638 121.111 120.400 0.121 0.000 2.358 251 D HA 0.210 4.847 4.640 -0.004 0.000 0.244 251 D C -0.177 176.180 176.300 0.095 0.000 1.163 251 D CA -0.001 54.103 54.000 0.172 0.000 0.945 251 D CB 0.690 41.544 40.800 0.090 0.000 1.152 251 D HN 0.662 9.032 8.370 -0.000 0.000 0.451 252 K N 0.686 121.104 120.400 0.031 0.000 2.477 252 K HA 0.056 4.373 4.320 -0.004 0.000 0.275 252 K C -0.524 175.962 176.600 -0.190 0.000 1.054 252 K CA 0.136 56.234 56.287 -0.316 0.000 1.135 252 K CB -0.073 32.242 32.500 -0.309 0.000 0.854 252 K HN 0.251 8.501 8.250 -0.000 0.000 0.484 253 V N 1.018 120.804 119.914 -0.214 0.000 3.040 253 V HA 0.383 4.501 4.120 -0.004 0.000 0.312 253 V C -0.939 175.080 176.094 -0.125 0.000 1.115 253 V CA -1.208 61.013 62.300 -0.130 0.000 0.998 253 V CB 1.808 33.573 31.823 -0.096 0.000 1.042 253 V HN 0.755 8.945 8.190 -0.000 0.000 0.433 254 Q N 1.329 121.083 119.800 -0.078 0.000 2.294 254 Q HA 0.389 4.727 4.340 -0.004 0.000 0.257 254 Q C 0.973 176.961 176.000 -0.021 0.000 0.955 254 Q CA -0.305 55.465 55.803 -0.055 0.000 0.936 254 Q CB 1.731 30.447 28.738 -0.037 0.000 1.188 254 Q HN 0.785 9.055 8.270 -0.000 0.000 0.420 255 K N 2.027 122.419 120.400 -0.014 0.000 2.077 255 K HA -0.216 4.101 4.320 -0.004 0.000 0.213 255 K C 0.107 176.752 176.600 0.076 0.000 1.051 255 K CA 1.671 57.980 56.287 0.036 0.000 0.929 255 K CB 0.075 32.592 32.500 0.028 0.000 0.715 255 K HN 0.634 8.884 8.250 -0.000 0.000 0.451 256 D N 0.153 120.574 120.400 0.035 0.000 2.358 256 D HA -0.012 4.625 4.640 -0.004 0.000 0.224 256 D C 0.182 176.489 176.300 0.012 0.000 1.123 256 D CA 0.464 54.479 54.000 0.025 0.000 0.833 256 D CB 0.428 41.232 40.800 0.006 0.000 0.946 256 D HN 0.210 8.580 8.370 -0.000 0.000 0.505 257 D N 0.206 120.617 120.400 0.017 0.000 2.556 257 D HA 0.099 4.736 4.640 -0.004 0.000 0.237 257 D C -0.443 175.864 176.300 0.013 0.000 1.296 257 D CA -0.308 53.693 54.000 0.002 0.000 0.807 257 D CB 0.610 41.404 40.800 -0.010 0.000 1.084 257 D HN -0.051 8.319 8.370 -0.000 0.000 0.510 258 I N 0.580 121.184 120.570 0.058 0.000 2.797 258 I HA 0.532 4.699 4.170 -0.004 0.000 0.307 258 I C -0.621 175.612 176.117 0.193 0.000 1.033 258 I CA -0.567 60.785 61.300 0.087 0.000 1.071 258 I CB 1.833 39.864 38.000 0.052 0.000 1.255 258 I HN -0.111 8.099 8.210 -0.000 0.000 0.445 259 E N 3.053 123.360 120.200 0.179 0.000 2.449 259 E HA 0.583 4.931 4.350 -0.004 0.000 0.278 259 E C -1.735 174.997 176.600 0.219 0.000 0.992 259 E CA -0.841 55.714 56.400 0.258 0.000 0.807 259 E CB 2.509 32.295 29.700 0.143 0.000 1.350 259 E HN 0.227 8.587 8.360 -0.000 0.000 0.462 260 V N 1.948 122.030 119.914 0.279 0.000 2.327 260 V HA 0.318 4.436 4.120 -0.004 0.000 0.272 260 V C -0.380 175.821 176.094 0.178 0.000 1.019 260 V CA -0.533 61.801 62.300 0.056 0.000 0.814 260 V CB 0.992 32.642 31.823 -0.289 0.000 1.040 260 V HN 0.452 8.642 8.190 -0.000 0.000 0.440 261 R N 3.284 123.833 120.500 0.081 0.000 2.216 261 R HA 0.472 4.810 4.340 -0.004 0.000 0.332 261 R C -1.119 175.163 176.300 -0.031 0.000 1.056 261 R CA -0.219 55.831 56.100 -0.083 0.000 0.901 261 R CB 0.586 30.862 30.300 -0.040 0.000 1.039 261 R HN 0.443 8.713 8.270 -0.000 0.000 0.456 262 F N 4.431 124.212 119.950 -0.283 0.000 2.397 262 F HA 0.368 4.892 4.527 -0.004 0.000 0.331 262 F C 0.053 175.712 175.800 -0.235 0.000 1.090 262 F CA -0.113 57.798 58.000 -0.149 0.000 1.065 262 F CB 1.022 39.934 39.000 -0.147 0.000 1.184 262 F HN 0.426 8.726 8.300 -0.000 0.000 0.499 263 Y N -0.813 119.513 120.300 0.043 0.000 2.774 263 Y HA 0.582 5.130 4.550 -0.003 0.000 0.346 263 Y C -2.089 174.084 175.900 0.455 0.000 1.222 263 Y CA -2.214 55.920 58.100 0.056 0.000 1.088 263 Y CB 0.949 39.382 38.460 -0.044 0.000 1.354 263 Y HN 0.583 8.863 8.280 -0.000 0.000 0.455 264 E N 0.435 120.847 120.200 0.354 0.000 2.334 264 E HA 0.360 4.708 4.350 -0.004 0.000 0.280 264 E C -2.202 174.628 176.600 0.383 0.000 0.899 264 E CA -0.835 55.791 56.400 0.377 0.000 0.813 264 E CB 2.018 32.016 29.700 0.497 0.000 1.318 264 E HN 0.510 8.870 8.360 -0.000 0.000 0.399 265 D N 3.375 123.980 120.400 0.341 0.000 2.468 265 D HA 0.158 4.796 4.640 -0.004 0.000 0.218 265 D C -0.584 175.830 176.300 0.190 0.000 1.155 265 D CA 0.064 54.220 54.000 0.261 0.000 0.924 265 D CB 0.617 41.557 40.800 0.233 0.000 1.029 265 D HN 0.344 8.714 8.370 -0.000 0.000 0.515 266 D N 1.137 121.643 120.400 0.177 0.000 2.415 266 D HA 0.046 4.684 4.640 -0.004 0.000 0.265 266 D C 0.605 176.966 176.300 0.101 0.000 1.206 266 D CA -0.394 53.687 54.000 0.134 0.000 1.113 266 D CB 0.224 41.106 40.800 0.137 0.000 1.192 266 D HN 0.227 8.597 8.370 -0.000 0.000 0.586 267 E N -0.703 119.546 120.200 0.081 0.000 2.437 267 E HA 0.033 4.380 4.350 -0.004 0.000 0.189 267 E C 0.183 176.816 176.600 0.056 0.000 1.054 267 E CA 0.203 56.639 56.400 0.060 0.000 0.874 267 E CB -0.113 29.615 29.700 0.047 0.000 1.011 267 E HN 0.312 8.672 8.360 -0.000 0.000 0.474 268 N N -1.146 117.596 118.700 0.071 0.000 3.039 268 N HA 0.276 5.014 4.740 -0.004 0.000 0.231 268 N C 0.244 175.802 175.510 0.080 0.000 1.053 268 N CA -0.055 53.031 53.050 0.060 0.000 1.191 268 N CB 0.258 38.772 38.487 0.045 0.000 1.597 268 N HN 0.020 8.400 8.380 -0.000 0.000 0.585 269 G N 0.412 109.290 108.800 0.129 0.000 3.030 269 G HA2 -0.165 3.793 3.960 -0.004 0.000 0.233 269 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.233 269 G C -1.152 173.854 174.900 0.177 0.000 1.091 269 G CA -0.557 44.639 45.100 0.159 0.000 1.113 269 G HN 0.417 8.707 8.290 -0.000 0.000 0.556 270 W N 2.584 123.923 121.300 0.065 0.000 2.261 270 W HA 0.665 5.323 4.660 -0.003 0.000 0.323 270 W C 0.317 176.924 176.519 0.148 0.000 1.243 270 W CA -0.248 57.125 57.345 0.048 0.000 1.210 270 W CB 0.791 30.293 29.460 0.070 0.000 1.149 270 W HN 0.792 8.972 8.180 -0.000 0.000 0.562 271 Q N 4.455 123.816 119.800 -0.732 0.000 2.377 271 Q HA 0.867 5.204 4.340 -0.004 0.000 0.279 271 Q C -1.702 173.650 176.000 -1.079 0.000 1.049 271 Q CA -1.123 54.144 55.803 -0.894 0.000 0.825 271 Q CB 2.060 30.551 28.738 -0.413 0.000 1.401 271 Q HN 0.712 8.982 8.270 -0.000 0.000 0.404 272 A N 1.296 123.452 122.820 -1.106 0.000 2.568 272 A HA 0.885 5.203 4.320 -0.004 0.000 0.291 272 A C -1.906 175.161 177.584 -0.860 0.000 1.159 272 A CA -0.754 50.875 52.037 -0.679 0.000 0.679 272 A CB 1.267 20.095 19.000 -0.287 0.000 1.285 272 A HN 0.577 8.727 8.150 -0.000 0.000 0.428 273 F N -0.534 119.415 119.950 -0.002 0.000 2.603 273 F HA 0.628 5.153 4.527 -0.004 0.000 0.317 273 F C 1.019 176.866 175.800 0.079 0.000 1.066 273 F CA -0.191 57.847 58.000 0.063 0.000 0.941 273 F CB 2.025 41.024 39.000 -0.002 0.000 1.291 273 F HN 0.848 9.148 8.300 -0.000 0.000 0.472 274 G N 0.012 109.016 108.800 0.340 0.000 2.569 274 G HA2 0.359 4.316 3.960 -0.004 0.000 0.249 274 G HA3 0.359 4.316 3.960 -0.004 0.000 0.249 274 G C -1.521 173.555 174.900 0.293 0.000 1.216 274 G CA -0.148 45.166 45.100 0.356 0.000 0.845 274 G HN 0.611 8.901 8.290 -0.000 0.000 0.568 275 D N 0.048 120.674 120.400 0.377 0.000 2.440 275 D HA 0.571 5.208 4.640 -0.004 0.000 0.239 275 D C -0.642 175.847 176.300 0.316 0.000 1.084 275 D CA -0.618 53.493 54.000 0.186 0.000 0.843 275 D CB 0.355 41.249 40.800 0.158 0.000 1.097 275 D HN 0.294 8.664 8.370 -0.000 0.000 0.531 276 F N 0.877 120.910 119.950 0.138 0.000 2.678 276 F HA 0.595 5.119 4.527 -0.004 0.000 0.308 276 F C -0.884 174.956 175.800 0.068 0.000 1.118 276 F CA -1.172 56.900 58.000 0.120 0.000 0.959 276 F CB 0.534 39.629 39.000 0.158 0.000 1.305 276 F HN 0.135 8.435 8.300 -0.000 0.000 0.443 277 S N 0.499 116.341 115.700 0.237 0.000 2.718 277 S HA 0.624 5.091 4.470 -0.004 0.000 0.300 277 S C -2.161 172.583 174.600 0.240 0.000 1.117 277 S CA -1.517 56.762 58.200 0.131 0.000 1.002 277 S CB 1.907 65.156 63.200 0.082 0.000 1.092 277 S HN 0.605 8.915 8.310 -0.000 0.000 0.542 278 P HA -0.103 4.317 4.420 -0.000 0.000 0.218 278 P C 1.168 178.535 177.300 0.112 0.000 1.146 278 P CA 1.399 64.586 63.100 0.144 0.000 0.813 278 P CB -0.751 30.996 31.700 0.077 0.000 0.778 279 T N -1.345 113.268 114.554 0.099 0.000 2.962 279 T HA -0.085 4.262 4.350 -0.004 0.000 0.270 279 T C 1.280 176.032 174.700 0.086 0.000 1.088 279 T CA 1.119 63.266 62.100 0.078 0.000 1.127 279 T CB -0.597 68.311 68.868 0.067 0.000 0.883 279 T HN 0.141 8.381 8.240 -0.000 0.000 0.493 280 D N 1.052 121.525 120.400 0.121 0.000 2.317 280 D HA 0.061 4.699 4.640 -0.004 0.000 0.211 280 D C 0.352 176.663 176.300 0.018 0.000 0.966 280 D CA 0.290 54.346 54.000 0.093 0.000 0.876 280 D CB 0.067 40.988 40.800 0.202 0.000 0.927 280 D HN 0.257 8.627 8.370 -0.000 0.000 0.519 281 V N 1.807 121.741 119.914 0.032 0.000 2.353 281 V HA 0.041 4.159 4.120 -0.004 0.000 0.264 281 V C -0.092 176.020 176.094 0.031 0.000 1.049 281 V CA -0.570 61.711 62.300 -0.032 0.000 0.896 281 V CB 0.400 32.202 31.823 -0.036 0.000 1.025 281 V HN 0.094 8.284 8.190 -0.000 0.000 0.475 282 H N 6.647 125.672 119.070 -0.075 0.000 2.782 282 H HA 0.275 4.829 4.556 -0.004 0.000 0.285 282 H C 0.761 176.082 175.328 -0.012 0.000 1.093 282 H CA -0.335 55.688 56.048 -0.043 0.000 1.410 282 H CB 0.244 29.970 29.762 -0.059 0.000 1.439 282 H HN 0.554 8.834 8.280 -0.000 0.000 0.469 283 K N 4.771 124.975 120.400 -0.326 0.000 3.003 283 K HA -0.356 3.962 4.320 -0.004 0.000 0.257 283 K C 0.169 176.635 176.600 -0.223 0.000 0.958 283 K CA 1.279 57.400 56.287 -0.277 0.000 0.707 283 K CB -1.414 30.862 32.500 -0.373 0.000 1.279 283 K HN 1.045 9.295 8.250 -0.000 0.000 0.479 284 Q N -3.429 116.228 119.800 -0.239 0.000 2.332 284 Q HA -0.275 4.063 4.340 -0.004 0.000 0.222 284 Q C 0.037 175.746 176.000 -0.485 0.000 0.758 284 Q CA 2.046 57.627 55.803 -0.370 0.000 1.355 284 Q CB -1.330 27.118 28.738 -0.484 0.000 1.705 284 Q HN 0.601 8.871 8.270 -0.000 0.000 0.638 285 Y N -1.791 118.493 120.300 -0.027 0.000 2.527 285 Y HA 0.624 5.171 4.550 -0.004 0.000 0.247 285 Y C 0.530 176.446 175.900 0.027 0.000 1.138 285 Y CA 0.295 58.396 58.100 0.001 0.000 1.228 285 Y CB 1.426 39.893 38.460 0.011 0.000 1.252 285 Y HN 0.218 8.498 8.280 -0.000 0.000 0.531 286 A N 0.365 123.271 122.820 0.142 0.000 2.574 286 A HA 0.789 5.107 4.320 -0.004 0.000 0.297 286 A C -1.519 176.053 177.584 -0.020 0.000 1.062 286 A CA -0.502 51.583 52.037 0.079 0.000 0.686 286 A CB 1.090 20.147 19.000 0.096 0.000 1.285 286 A HN 0.123 8.273 8.150 -0.000 0.000 0.403 287 I N 1.696 122.225 120.570 -0.068 0.000 2.478 287 I HA 0.403 4.570 4.170 -0.004 0.000 0.287 287 I C -0.937 175.149 176.117 -0.051 0.000 1.042 287 I CA -0.956 60.247 61.300 -0.161 0.000 1.067 287 I CB 2.123 39.930 38.000 -0.321 0.000 1.233 287 I HN 0.304 8.514 8.210 -0.000 0.000 0.431 288 V N 7.208 127.062 119.914 -0.099 0.000 2.328 288 V HA 0.438 4.556 4.120 -0.004 0.000 0.278 288 V C -0.442 175.762 176.094 0.184 0.000 1.021 288 V CA -0.430 61.827 62.300 -0.072 0.000 0.838 288 V CB 0.668 32.321 31.823 -0.283 0.000 0.999 288 V HN 0.552 8.742 8.190 -0.000 0.000 0.447 289 F N 3.158 123.169 119.950 0.101 0.000 2.603 289 F HA 0.810 5.334 4.527 -0.004 0.000 0.317 289 F C -0.355 175.564 175.800 0.200 0.000 1.066 289 F CA -1.560 56.575 58.000 0.225 0.000 0.941 289 F CB 1.587 40.783 39.000 0.326 0.000 1.291 289 F HN 0.176 8.476 8.300 -0.000 0.000 0.472 290 R N 1.641 122.333 120.500 0.320 0.000 2.255 290 R HA 0.378 4.715 4.340 -0.004 0.000 0.326 290 R C -0.290 176.156 176.300 0.244 0.000 0.986 290 R CA -0.627 55.566 56.100 0.155 0.000 0.847 290 R CB 1.603 31.990 30.300 0.144 0.000 1.111 290 R HN 0.958 9.228 8.270 -0.000 0.000 0.452 291 T N 1.392 116.000 114.554 0.090 0.000 2.906 291 T HA 0.131 4.479 4.350 -0.004 0.000 0.320 291 T C -1.834 172.851 174.700 -0.026 0.000 1.088 291 T CA -1.065 61.017 62.100 -0.031 0.000 1.120 291 T CB 0.598 69.349 68.868 -0.195 0.000 1.000 291 T HN 0.334 8.574 8.240 -0.000 0.000 0.550 292 P HA 0.413 4.833 4.420 -0.000 0.000 0.281 292 P C -2.767 174.643 177.300 0.183 0.000 1.264 292 P CA -2.337 60.780 63.100 0.029 0.000 0.824 292 P CB 0.259 31.956 31.700 -0.006 0.000 1.092 293 P HA 0.086 4.506 4.420 -0.000 0.000 0.278 293 P C -0.515 176.818 177.300 0.054 0.000 1.238 293 P CA -0.053 63.123 63.100 0.126 0.000 0.794 293 P CB 0.343 32.089 31.700 0.076 0.000 0.955 294 Y N 3.388 123.380 120.300 -0.514 0.000 2.357 294 Y HA -0.045 4.503 4.550 -0.004 0.000 0.340 294 Y C 2.333 177.810 175.900 -0.705 0.000 1.260 294 Y CA -0.124 57.343 58.100 -1.054 0.000 1.425 294 Y CB 0.274 37.815 38.460 -1.532 0.000 1.326 294 Y HN 0.513 8.793 8.280 -0.000 0.000 0.580 295 H N 1.563 119.585 119.070 -1.748 0.000 2.524 295 H HA 0.072 4.626 4.556 -0.004 0.000 0.282 295 H C -0.268 174.586 175.328 -0.789 0.000 1.016 295 H CA 0.708 56.107 56.048 -1.081 0.000 1.270 295 H CB 0.326 29.467 29.762 -1.035 0.000 1.394 295 H HN 0.269 8.549 8.280 -0.000 0.000 0.568 296 K N 1.153 120.908 120.400 -1.076 0.000 2.572 296 K HA 0.156 4.474 4.320 -0.004 0.000 0.244 296 K C 0.602 177.054 176.600 -0.246 0.000 0.965 296 K CA -0.585 55.424 56.287 -0.464 0.000 0.943 296 K CB 1.248 33.522 32.500 -0.376 0.000 1.154 296 K HN 0.020 8.270 8.250 -0.000 0.000 0.447 297 M N 1.224 120.728 119.600 -0.160 0.000 2.279 297 M HA -0.083 4.395 4.480 -0.004 0.000 0.264 297 M C 0.677 176.945 176.300 -0.054 0.000 1.062 297 M CA 1.372 56.621 55.300 -0.086 0.000 1.099 297 M CB -0.235 32.330 32.600 -0.058 0.000 1.394 297 M HN 0.223 8.513 8.290 -0.000 0.000 0.426 298 K N 1.943 122.309 120.400 -0.057 0.000 3.226 298 K HA 0.274 4.591 4.320 -0.004 0.000 0.268 298 K C 0.132 176.712 176.600 -0.034 0.000 1.217 298 K CA -0.062 56.202 56.287 -0.038 0.000 1.242 298 K CB -1.196 31.284 32.500 -0.034 0.000 1.389 298 K HN 0.479 8.729 8.250 -0.000 0.000 0.406 299 I N -2.584 117.967 120.570 -0.032 0.000 2.428 299 I HA 0.155 4.322 4.170 -0.004 0.000 0.289 299 I C 0.554 176.649 176.117 -0.038 0.000 1.019 299 I CA -0.263 61.015 61.300 -0.036 0.000 1.351 299 I CB 1.043 39.011 38.000 -0.055 0.000 1.412 299 I HN 0.017 8.227 8.210 -0.000 0.000 0.513 300 E N 2.977 123.153 120.200 -0.040 0.000 2.431 300 E HA 0.169 4.516 4.350 -0.004 0.000 0.200 300 E C -0.046 176.526 176.600 -0.046 0.000 0.995 300 E CA -0.055 56.325 56.400 -0.033 0.000 0.915 300 E CB 0.548 30.234 29.700 -0.024 0.000 0.930 300 E HN 0.473 8.833 8.360 -0.000 0.000 0.496 301 R N 1.220 121.675 120.500 -0.076 0.000 2.686 301 R HA 0.308 4.645 4.340 -0.004 0.000 0.283 301 R C -2.703 173.479 176.300 -0.196 0.000 0.978 301 R CA -2.663 53.371 56.100 -0.110 0.000 0.897 301 R CB 1.041 31.286 30.300 -0.091 0.000 1.192 301 R HN -0.144 8.126 8.270 -0.000 0.000 0.457 302 P HA 0.070 4.490 4.420 -0.000 0.000 0.269 302 P C -0.894 176.168 177.300 -0.397 0.000 1.209 302 P CA -0.066 62.711 63.100 -0.538 0.000 0.776 302 P CB 0.761 31.799 31.700 -1.104 0.000 0.876 303 V N 1.856 121.531 119.914 -0.398 0.000 2.588 303 V HA 0.347 4.465 4.120 -0.004 0.000 0.304 303 V C 0.320 176.241 176.094 -0.289 0.000 1.042 303 V CA -0.522 61.584 62.300 -0.324 0.000 0.877 303 V CB 1.852 33.418 31.823 -0.429 0.000 0.996 303 V HN 0.485 8.675 8.190 -0.000 0.000 0.425 304 T N 4.437 118.847 114.554 -0.241 0.000 2.767 304 T HA 0.636 4.983 4.350 -0.004 0.000 0.288 304 T C 0.044 174.595 174.700 -0.248 0.000 0.963 304 T CA -0.292 61.652 62.100 -0.261 0.000 1.019 304 T CB 1.406 70.095 68.868 -0.299 0.000 0.923 304 T HN 0.835 9.075 8.240 -0.000 0.000 0.468 305 V N 0.736 120.537 119.914 -0.188 0.000 3.184 305 V HA 0.904 5.021 4.120 -0.004 0.000 0.308 305 V C -1.304 174.551 176.094 -0.399 0.000 1.243 305 V CA -1.193 61.072 62.300 -0.059 0.000 1.058 305 V CB 1.443 33.571 31.823 0.509 0.000 1.183 305 V HN 0.678 8.868 8.190 -0.000 0.000 0.471 306 F N 0.471 120.331 119.950 -0.149 0.000 2.593 306 F HA 0.867 5.393 4.527 -0.003 0.000 0.320 306 F C -0.217 175.372 175.800 -0.351 0.000 1.060 306 F CA -0.730 57.097 58.000 -0.288 0.000 0.940 306 F CB 2.047 40.726 39.000 -0.535 0.000 1.268 306 F HN 0.796 9.096 8.300 -0.000 0.000 0.475 307 L N 0.747 121.879 121.223 -0.151 0.000 2.327 307 L HA 0.894 5.231 4.340 -0.004 0.000 0.258 307 L C -1.475 175.336 176.870 -0.099 0.000 1.024 307 L CA -0.773 53.770 54.840 -0.494 0.000 0.825 307 L CB 2.462 43.752 42.059 -1.282 0.000 1.386 307 L HN 0.808 9.038 8.230 -0.000 0.000 0.417 308 Q N 1.290 121.023 119.800 -0.112 0.000 2.578 308 Q HA 0.531 4.868 4.340 -0.004 0.000 0.284 308 Q C -2.062 173.897 176.000 -0.069 0.000 0.960 308 Q CA -1.008 54.775 55.803 -0.034 0.000 0.809 308 Q CB 2.232 30.985 28.738 0.026 0.000 1.462 308 Q HN 0.773 9.043 8.270 -0.000 0.000 0.392 309 L N 1.498 122.689 121.223 -0.052 0.000 2.350 309 L HA 0.603 4.940 4.340 -0.004 0.000 0.275 309 L C -0.269 176.588 176.870 -0.022 0.000 1.099 309 L CA -0.366 54.449 54.840 -0.043 0.000 0.808 309 L CB 1.280 43.312 42.059 -0.045 0.000 1.149 309 L HN 0.659 8.889 8.230 -0.000 0.000 0.442 310 K N 2.933 123.337 120.400 0.007 0.000 2.498 310 K HA 0.412 4.729 4.320 -0.004 0.000 0.254 310 K C -1.085 175.520 176.600 0.009 0.000 0.933 310 K CA -0.870 55.421 56.287 0.007 0.000 0.806 310 K CB 2.076 34.601 32.500 0.041 0.000 1.301 310 K HN 0.466 8.716 8.250 -0.000 0.000 0.432 311 R N 3.148 123.638 120.500 -0.016 0.000 2.308 311 R HA 0.155 4.493 4.340 -0.004 0.000 0.305 311 R C 0.686 176.974 176.300 -0.021 0.000 1.053 311 R CA -0.019 56.067 56.100 -0.024 0.000 0.957 311 R CB 0.805 31.076 30.300 -0.048 0.000 1.022 311 R HN 0.651 8.921 8.270 -0.000 0.000 0.461 312 K N 2.271 122.657 120.400 -0.023 0.000 1.985 312 K HA -0.140 4.178 4.320 -0.004 0.000 0.210 312 K C 1.535 178.115 176.600 -0.033 0.000 1.047 312 K CA 1.141 57.404 56.287 -0.040 0.000 0.932 312 K CB -0.020 32.448 32.500 -0.053 0.000 0.716 312 K HN 0.419 8.669 8.250 -0.000 0.000 0.439 313 R N 0.656 121.141 120.500 -0.024 0.000 2.555 313 R HA 0.028 4.366 4.340 -0.004 0.000 0.272 313 R C 0.658 176.955 176.300 -0.005 0.000 1.089 313 R CA 0.448 56.540 56.100 -0.012 0.000 1.126 313 R CB 0.337 30.634 30.300 -0.005 0.000 1.250 313 R HN 0.305 8.575 8.270 -0.000 0.000 0.551 314 G N -1.238 107.551 108.800 -0.018 0.000 2.641 314 G HA2 0.210 4.168 3.960 -0.004 0.000 0.211 314 G HA3 0.210 4.168 3.960 -0.004 0.000 0.211 314 G C 0.743 175.629 174.900 -0.024 0.000 1.338 314 G CA 0.437 45.523 45.100 -0.022 0.000 0.572 314 G HN 0.375 8.665 8.290 -0.000 0.000 1.023 315 G N 0.897 109.678 108.800 -0.031 0.000 2.179 315 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.220 315 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.220 315 G C -0.023 174.851 174.900 -0.044 0.000 0.990 315 G CA 0.463 45.545 45.100 -0.031 0.000 0.646 315 G HN 0.938 9.228 8.290 -0.000 0.000 0.517 316 D N 0.693 121.061 120.400 -0.054 0.000 2.304 316 D HA 0.542 5.179 4.640 -0.004 0.000 0.247 316 D C 0.768 177.032 176.300 -0.060 0.000 1.089 316 D CA 0.189 54.152 54.000 -0.062 0.000 0.910 316 D CB 2.038 42.791 40.800 -0.079 0.000 1.199 316 D HN 1.035 9.405 8.370 -0.000 0.000 0.426 317 V N -1.360 118.516 119.914 -0.062 0.000 3.113 317 V HA 0.748 4.865 4.120 -0.004 0.000 0.316 317 V C 0.162 176.228 176.094 -0.048 0.000 1.125 317 V CA -0.939 61.324 62.300 -0.061 0.000 1.026 317 V CB 1.234 33.003 31.823 -0.090 0.000 1.080 317 V HN 0.776 8.966 8.190 -0.000 0.000 0.444 318 S N 0.245 115.923 115.700 -0.037 0.000 2.707 318 S HA 0.450 4.918 4.470 -0.004 0.000 0.276 318 S C -0.385 174.207 174.600 -0.013 0.000 1.179 318 S CA -0.657 57.531 58.200 -0.021 0.000 0.992 318 S CB 0.764 63.956 63.200 -0.014 0.000 1.030 318 S HN 0.821 9.131 8.310 -0.000 0.000 0.554 319 D N 1.824 122.224 120.400 0.001 0.000 2.425 319 D HA 0.241 4.879 4.640 -0.004 0.000 0.247 319 D C -0.142 176.178 176.300 0.035 0.000 1.147 319 D CA 0.450 54.457 54.000 0.012 0.000 0.879 319 D CB 0.656 41.468 40.800 0.020 0.000 1.179 319 D HN 0.446 8.816 8.370 -0.000 0.000 0.456 320 S N 2.618 118.351 115.700 0.055 0.000 2.565 320 S HA 0.199 4.666 4.470 -0.004 0.000 0.276 320 S C 0.483 175.183 174.600 0.166 0.000 1.326 320 S CA -0.541 57.733 58.200 0.122 0.000 1.045 320 S CB 1.190 64.503 63.200 0.188 0.000 0.918 320 S HN 0.182 8.492 8.310 -0.000 0.000 0.505 321 K N 2.226 122.720 120.400 0.157 0.000 2.156 321 K HA 0.388 4.705 4.320 -0.004 0.000 0.250 321 K C -0.171 176.531 176.600 0.171 0.000 0.955 321 K CA -0.619 55.757 56.287 0.147 0.000 0.855 321 K CB 1.459 34.014 32.500 0.092 0.000 1.101 321 K HN 0.622 8.872 8.250 -0.000 0.000 0.434 322 Q N 0.484 120.345 119.800 0.101 0.000 2.260 322 Q HA 0.453 4.791 4.340 -0.004 0.000 0.238 322 Q C -1.103 174.921 176.000 0.041 0.000 0.948 322 Q CA -0.396 55.358 55.803 -0.081 0.000 0.895 322 Q CB 0.926 29.548 28.738 -0.192 0.000 1.218 322 Q HN 0.395 8.665 8.270 -0.000 0.000 0.470 323 F N -0.127 119.700 119.950 -0.205 0.000 2.596 323 F HA 0.382 4.908 4.527 -0.003 0.000 0.311 323 F C -1.175 174.499 175.800 -0.211 0.000 1.116 323 F CA -0.380 57.543 58.000 -0.130 0.000 0.957 323 F CB 2.095 41.089 39.000 -0.010 0.000 1.250 323 F HN 0.324 8.624 8.300 -0.000 0.000 0.444 324 T N 5.145 119.359 114.554 -0.567 0.000 2.779 324 T HA 0.361 4.708 4.350 -0.004 0.000 0.280 324 T C -1.221 173.196 174.700 -0.471 0.000 0.987 324 T CA -0.235 61.606 62.100 -0.432 0.000 0.966 324 T CB 0.415 69.086 68.868 -0.329 0.000 0.933 324 T HN 0.315 8.555 8.240 -0.000 0.000 0.442 325 Y N 2.371 122.493 120.300 -0.296 0.000 2.335 325 Y HA 0.424 4.971 4.550 -0.005 0.000 0.331 325 Y C -0.125 175.590 175.900 -0.310 0.000 1.094 325 Y CA -0.359 57.608 58.100 -0.223 0.000 1.253 325 Y CB 0.519 38.744 38.460 -0.392 0.000 1.203 325 Y HN 0.568 8.848 8.280 -0.000 0.000 0.508 326 Y N 3.696 124.001 120.300 0.009 0.000 2.524 326 Y HA 0.453 5.000 4.550 -0.005 0.000 0.344 326 Y C -1.993 173.902 175.900 -0.009 0.000 1.012 326 Y CA -2.549 55.528 58.100 -0.039 0.000 1.068 326 Y CB 1.465 39.883 38.460 -0.069 0.000 1.249 326 Y HN 0.475 8.755 8.280 -0.000 0.000 0.468 327 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 327 P CA 0.000 63.140 63.100 0.067 0.000 0.800 327 P CB 0.000 31.727 31.700 0.044 0.000 0.726