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 2c2y_1_A DATA FIRST_RESID 2 DATA SEQUENCE GAIMLDGKAT RDEIFGDLKQ RVAALDAAGR TPGLGTILVG DDPGSQAYVR DATA SEQUENCE GKHADCAKVG ITSIRRDLPA DISTATLNET IDELNANPDC TGYIVQLPLP DATA SEQUENCE KHLDENAALE RVDPAKDADG LHPTNLGRLV LGTPAPLPCT PRGIVHLLRR DATA SEQUENCE YDISIAGAHV VVIGRGVTVG RPLGLLLTRR SENATVTLCH TGTRDLPALT DATA SEQUENCE RQADIVVAAV GVAHLLTADM VRPGAAVIDV GVSRTDDGLV GDVHPDVWEL DATA SEQUENCE AGHVSPNPGG VGPLTRAFLL TNVVELAERR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 2 G HA3 0.000 4.006 3.960 0.077 0.000 0.244 2 G C 0.000 174.962 174.900 0.103 0.000 0.946 2 G CA 0.000 45.162 45.100 0.103 0.000 0.502 3 A N 1.419 124.341 122.820 0.169 0.000 2.445 3 A HA 0.626 4.993 4.320 0.077 0.000 0.242 3 A C 0.739 178.371 177.584 0.081 0.000 1.075 3 A CA -0.182 51.876 52.037 0.034 0.000 0.777 3 A CB 0.063 18.986 19.000 -0.128 0.000 1.013 3 A HN 0.804 8.954 8.150 -0.000 0.000 0.493 4 I N 2.404 122.893 120.570 -0.135 0.000 2.648 4 I HA -0.005 4.211 4.170 0.077 0.000 0.284 4 I C 0.817 176.956 176.117 0.037 0.000 1.153 4 I CA 0.268 61.528 61.300 -0.066 0.000 1.426 4 I CB 0.530 38.397 38.000 -0.222 0.000 1.381 4 I HN 0.617 8.827 8.210 -0.000 0.000 0.571 5 M N 7.334 127.041 119.600 0.179 0.000 2.143 5 M HA 0.241 4.767 4.480 0.077 0.000 0.348 5 M C -0.654 175.626 176.300 -0.034 0.000 1.375 5 M CA -0.461 54.984 55.300 0.242 0.000 1.124 5 M CB 0.418 33.183 32.600 0.274 0.000 1.669 5 M HN 0.437 8.727 8.290 -0.000 0.000 0.469 6 L N 4.841 125.959 121.223 -0.175 0.000 2.385 6 L HA 0.112 4.499 4.340 0.077 0.000 0.285 6 L C 0.284 177.111 176.870 -0.072 0.000 1.125 6 L CA -0.330 54.243 54.840 -0.445 0.000 0.890 6 L CB -0.215 41.612 42.059 -0.387 0.000 1.251 6 L HN 0.519 8.749 8.230 -0.000 0.000 0.445 7 D N 2.647 123.111 120.400 0.105 0.000 2.402 7 D HA 0.089 4.775 4.640 0.077 0.000 0.235 7 D C 1.149 177.550 176.300 0.169 0.000 1.226 7 D CA 0.029 54.133 54.000 0.173 0.000 0.918 7 D CB 1.631 42.561 40.800 0.218 0.000 1.043 7 D HN 0.578 8.948 8.370 -0.000 0.000 0.506 8 G N 3.577 112.444 108.800 0.112 0.000 2.421 8 G HA2 -0.207 3.799 3.960 0.077 0.000 0.217 8 G HA3 -0.207 3.799 3.960 0.077 0.000 0.217 8 G C 1.482 176.411 174.900 0.048 0.000 1.143 8 G CA 0.287 45.445 45.100 0.098 0.000 0.784 8 G HN 0.409 8.699 8.290 -0.000 0.000 0.541 9 K N 0.633 121.049 120.400 0.027 0.000 2.026 9 K HA 0.027 4.393 4.320 0.077 0.000 0.208 9 K C 2.937 179.513 176.600 -0.040 0.000 1.048 9 K CA 1.068 57.338 56.287 -0.028 0.000 0.929 9 K CB -0.231 32.260 32.500 -0.015 0.000 0.713 9 K HN 0.251 8.501 8.250 -0.000 0.000 0.439 10 A N 1.127 123.956 122.820 0.016 0.000 1.933 10 A HA -0.133 4.233 4.320 0.077 0.000 0.218 10 A C 2.237 179.835 177.584 0.023 0.000 1.175 10 A CA 1.930 53.979 52.037 0.020 0.000 0.628 10 A CB -0.865 18.170 19.000 0.057 0.000 0.814 10 A HN 0.256 8.406 8.150 -0.000 0.000 0.444 11 T N -0.664 113.931 114.554 0.069 0.000 2.777 11 T HA -0.138 4.258 4.350 0.077 0.000 0.266 11 T C 2.073 176.780 174.700 0.012 0.000 1.040 11 T CA 1.343 63.504 62.100 0.103 0.000 1.141 11 T CB -0.253 68.745 68.868 0.216 0.000 0.868 11 T HN 0.566 8.806 8.240 -0.000 0.000 0.444 12 R N 1.117 121.570 120.500 -0.077 0.000 2.081 12 R HA -0.153 4.233 4.340 0.077 0.000 0.235 12 R C 1.698 177.771 176.300 -0.377 0.000 1.131 12 R CA 1.855 57.801 56.100 -0.258 0.000 0.960 12 R CB -0.379 29.709 30.300 -0.354 0.000 0.856 12 R HN 0.280 8.550 8.270 -0.000 0.000 0.436 13 D N 0.438 120.667 120.400 -0.285 0.000 2.144 13 D HA -0.183 4.504 4.640 0.077 0.000 0.199 13 D C 1.700 177.977 176.300 -0.038 0.000 0.984 13 D CA 1.152 55.035 54.000 -0.195 0.000 0.834 13 D CB -0.197 40.540 40.800 -0.105 0.000 0.955 13 D HN 0.456 8.826 8.370 -0.000 0.000 0.465 14 E N 0.143 120.331 120.200 -0.019 0.000 2.077 14 E HA -0.141 4.255 4.350 0.077 0.000 0.193 14 E C 2.269 178.892 176.600 0.039 0.000 0.989 14 E CA 0.599 57.013 56.400 0.025 0.000 0.800 14 E CB -0.025 29.700 29.700 0.042 0.000 0.746 14 E HN 0.235 8.595 8.360 -0.000 0.000 0.452 15 I N 0.210 120.786 120.570 0.010 0.000 2.202 15 I HA -0.251 3.965 4.170 0.077 0.000 0.242 15 I C 1.962 178.160 176.117 0.135 0.000 1.091 15 I CA 0.654 61.948 61.300 -0.010 0.000 1.368 15 I CB -0.247 37.639 38.000 -0.190 0.000 1.058 15 I HN 0.134 8.344 8.210 -0.000 0.000 0.410 16 F N 1.272 121.162 119.950 -0.100 0.000 2.091 16 F HA -0.207 4.367 4.527 0.078 0.000 0.299 16 F C 2.544 178.316 175.800 -0.047 0.000 1.103 16 F CA 1.430 59.388 58.000 -0.070 0.000 1.228 16 F CB -1.688 37.283 39.000 -0.047 0.000 0.984 16 F HN 0.062 8.362 8.300 -0.000 0.000 0.477 17 G N -0.940 107.956 108.800 0.161 0.000 2.418 17 G HA2 -0.314 3.693 3.960 0.077 0.000 0.217 17 G HA3 -0.314 3.693 3.960 0.077 0.000 0.217 17 G C 1.376 176.301 174.900 0.041 0.000 1.158 17 G CA 1.142 46.290 45.100 0.079 0.000 0.771 17 G HN 0.369 8.659 8.290 -0.000 0.000 0.545 18 D N 0.000 120.423 120.400 0.037 0.000 2.097 18 D HA -0.101 4.586 4.640 0.077 0.000 0.195 18 D C 2.381 178.678 176.300 -0.005 0.000 0.989 18 D CA 0.579 54.589 54.000 0.015 0.000 0.827 18 D CB -0.237 40.571 40.800 0.014 0.000 0.966 18 D HN 0.110 8.480 8.370 -0.000 0.000 0.456 19 L N 0.878 122.088 121.223 -0.021 0.000 2.046 19 L HA -0.075 4.311 4.340 0.077 0.000 0.208 19 L C 2.348 179.181 176.870 -0.061 0.000 1.077 19 L CA 1.515 56.318 54.840 -0.061 0.000 0.747 19 L CB -0.993 40.993 42.059 -0.121 0.000 0.896 19 L HN 0.108 8.338 8.230 -0.000 0.000 0.432 20 K N -0.748 119.622 120.400 -0.051 0.000 2.057 20 K HA -0.220 4.146 4.320 0.077 0.000 0.207 20 K C 2.050 178.635 176.600 -0.024 0.000 1.049 20 K CA 1.497 57.759 56.287 -0.043 0.000 0.931 20 K CB 0.038 32.524 32.500 -0.023 0.000 0.714 20 K HN 0.414 8.664 8.250 -0.000 0.000 0.440 21 Q N -0.171 119.622 119.800 -0.012 0.000 2.079 21 Q HA -0.119 4.268 4.340 0.077 0.000 0.200 21 Q C 2.147 178.141 176.000 -0.010 0.000 0.974 21 Q CA 1.470 57.269 55.803 -0.007 0.000 0.840 21 Q CB -0.008 28.731 28.738 0.001 0.000 0.898 21 Q HN 0.254 8.524 8.270 -0.000 0.000 0.430 22 R N -0.208 120.284 120.500 -0.014 0.000 2.148 22 R HA -0.064 4.322 4.340 0.077 0.000 0.227 22 R C 2.176 178.465 176.300 -0.018 0.000 1.103 22 R CA 0.884 56.976 56.100 -0.013 0.000 0.983 22 R CB -0.074 30.218 30.300 -0.014 0.000 0.874 22 R HN 0.078 8.348 8.270 -0.000 0.000 0.451 23 V N 0.589 120.487 119.914 -0.028 0.000 2.488 23 V HA -0.124 4.042 4.120 0.077 0.000 0.246 23 V C 2.306 178.387 176.094 -0.021 0.000 1.046 23 V CA 1.712 63.995 62.300 -0.029 0.000 1.053 23 V CB -0.347 31.449 31.823 -0.045 0.000 0.679 23 V HN 0.369 8.559 8.190 -0.000 0.000 0.458 24 A N 0.162 122.972 122.820 -0.018 0.000 1.933 24 A HA -0.128 4.238 4.320 0.077 0.000 0.218 24 A C 2.375 179.954 177.584 -0.008 0.000 1.175 24 A CA 2.057 54.087 52.037 -0.012 0.000 0.628 24 A CB -0.617 18.378 19.000 -0.009 0.000 0.814 24 A HN 0.556 8.706 8.150 -0.000 0.000 0.444 25 A N -0.606 122.210 122.820 -0.008 0.000 1.968 25 A HA 0.099 4.465 4.320 0.077 0.000 0.217 25 A C 2.129 179.710 177.584 -0.005 0.000 1.169 25 A CA 1.240 53.275 52.037 -0.005 0.000 0.638 25 A CB -0.447 18.551 19.000 -0.003 0.000 0.812 25 A HN 0.455 8.605 8.150 -0.000 0.000 0.446 26 L N -0.681 120.538 121.223 -0.007 0.000 2.072 26 L HA -0.155 4.231 4.340 0.077 0.000 0.205 26 L C 2.431 179.297 176.870 -0.006 0.000 1.079 26 L CA 1.557 56.393 54.840 -0.006 0.000 0.752 26 L CB -0.419 41.635 42.059 -0.008 0.000 0.906 26 L HN 0.460 8.690 8.230 -0.000 0.000 0.436 27 D N 0.311 120.706 120.400 -0.008 0.000 2.123 27 D HA -0.203 4.484 4.640 0.077 0.000 0.196 27 D C 2.070 178.367 176.300 -0.005 0.000 0.992 27 D CA 1.459 55.454 54.000 -0.007 0.000 0.833 27 D CB 0.360 41.154 40.800 -0.009 0.000 0.954 27 D HN 0.314 8.684 8.370 -0.000 0.000 0.455 28 A N 0.626 123.444 122.820 -0.004 0.000 2.015 28 A HA 0.052 4.418 4.320 0.077 0.000 0.219 28 A C 2.123 179.706 177.584 -0.002 0.000 1.163 28 A CA 1.636 53.671 52.037 -0.003 0.000 0.646 28 A CB -0.341 18.658 19.000 -0.003 0.000 0.806 28 A HN 0.293 8.443 8.150 -0.000 0.000 0.448 29 A N -1.547 121.271 122.820 -0.002 0.000 2.278 29 A HA 0.439 4.806 4.320 0.077 0.000 0.212 29 A C 1.583 179.166 177.584 -0.002 0.000 1.213 29 A CA 0.957 52.993 52.037 -0.001 0.000 0.840 29 A CB -1.008 17.991 19.000 -0.001 0.000 0.866 29 A HN 1.827 9.977 8.150 -0.000 0.000 0.489 30 G N -0.127 108.671 108.800 -0.002 0.000 2.198 30 G HA2 -0.262 3.744 3.960 0.077 0.000 0.257 30 G HA3 -0.262 3.744 3.960 0.077 0.000 0.257 30 G C 0.361 175.260 174.900 -0.002 0.000 1.042 30 G CA 0.399 45.498 45.100 -0.002 0.000 0.791 30 G HN 0.568 8.858 8.290 -0.000 0.000 0.502 31 R N 0.118 120.616 120.500 -0.002 0.000 2.734 31 R HA 0.187 4.573 4.340 0.077 0.000 0.395 31 R C 0.196 176.495 176.300 -0.002 0.000 1.096 31 R CA -0.214 55.885 56.100 -0.001 0.000 1.071 31 R CB 0.446 30.746 30.300 -0.000 0.000 1.348 31 R HN 0.275 8.545 8.270 -0.000 0.000 0.600 32 T N 3.766 118.318 114.554 -0.003 0.000 2.908 32 T HA 0.062 4.459 4.350 0.077 0.000 0.301 32 T C -2.106 172.592 174.700 -0.002 0.000 1.019 32 T CA -0.456 61.641 62.100 -0.005 0.000 1.152 32 T CB 0.513 69.378 68.868 -0.006 0.000 0.966 32 T HN 0.081 8.320 8.240 -0.000 0.000 0.540 33 P HA 0.483 4.903 4.420 -0.000 0.000 0.277 33 P C -0.228 177.077 177.300 0.009 0.000 1.240 33 P CA -0.473 62.628 63.100 0.002 0.000 0.798 33 P CB 0.835 32.531 31.700 -0.007 0.000 0.979 34 G N 1.346 110.160 108.800 0.022 0.000 2.566 34 G HA2 0.549 4.555 3.960 0.077 0.000 0.311 34 G HA3 0.549 4.555 3.960 0.077 0.000 0.311 34 G C -1.807 173.130 174.900 0.062 0.000 1.322 34 G CA -0.504 44.619 45.100 0.038 0.000 0.969 34 G HN 0.508 8.798 8.290 -0.000 0.000 0.490 35 L N 2.673 123.948 121.223 0.088 0.000 2.272 35 L HA 0.788 5.174 4.340 0.077 0.000 0.289 35 L C 0.633 177.618 176.870 0.191 0.000 1.032 35 L CA -0.295 54.612 54.840 0.112 0.000 0.810 35 L CB 1.268 43.359 42.059 0.054 0.000 1.205 35 L HN 0.568 8.798 8.230 -0.000 0.000 0.422 36 G N 2.455 111.369 108.800 0.189 0.000 2.425 36 G HA2 0.581 4.587 3.960 0.077 0.000 0.302 36 G HA3 0.581 4.587 3.960 0.077 0.000 0.302 36 G C -0.801 174.235 174.900 0.227 0.000 1.159 36 G CA -0.021 45.192 45.100 0.189 0.000 0.865 36 G HN 0.744 9.034 8.290 -0.000 0.000 0.515 37 T N -1.164 113.525 114.554 0.225 0.000 2.886 37 T HA 0.631 5.028 4.350 0.077 0.000 0.292 37 T C -0.423 174.365 174.700 0.147 0.000 1.012 37 T CA -0.659 61.559 62.100 0.196 0.000 0.982 37 T CB 1.606 70.602 68.868 0.213 0.000 1.018 37 T HN 0.349 8.589 8.240 -0.000 0.000 0.451 38 I N 3.224 123.880 120.570 0.144 0.000 2.339 38 I HA 0.474 4.690 4.170 0.077 0.000 0.290 38 I C -0.987 175.184 176.117 0.090 0.000 0.994 38 I CA -1.028 60.331 61.300 0.098 0.000 1.191 38 I CB 1.616 39.678 38.000 0.102 0.000 1.343 38 I HN 0.480 8.690 8.210 -0.000 0.000 0.458 39 L N 8.544 129.812 121.223 0.076 0.000 2.372 39 L HA 0.551 4.937 4.340 0.077 0.000 0.274 39 L C -0.931 175.973 176.870 0.056 0.000 0.988 39 L CA -0.402 54.481 54.840 0.072 0.000 0.833 39 L CB 1.713 43.821 42.059 0.082 0.000 1.236 39 L HN 0.271 8.501 8.230 -0.000 0.000 0.410 40 V N 6.108 126.053 119.914 0.052 0.000 2.370 40 V HA 0.891 5.057 4.120 0.077 0.000 0.283 40 V C 0.862 176.986 176.094 0.051 0.000 1.023 40 V CA 0.306 62.634 62.300 0.047 0.000 0.857 40 V CB 0.320 32.165 31.823 0.036 0.000 0.985 40 V HN 1.141 9.331 8.190 -0.000 0.000 0.443 41 G N 5.272 114.103 108.800 0.051 0.000 2.593 41 G HA2 -0.158 3.848 3.960 0.077 0.000 0.237 41 G HA3 -0.158 3.848 3.960 0.077 0.000 0.237 41 G C -0.185 174.741 174.900 0.043 0.000 1.312 41 G CA 0.295 45.424 45.100 0.049 0.000 0.896 41 G HN 1.222 9.512 8.290 -0.000 0.000 0.574 42 D N -0.597 119.827 120.400 0.039 0.000 2.760 42 D HA 0.359 5.045 4.640 0.077 0.000 0.314 42 D C -0.051 176.267 176.300 0.030 0.000 1.464 42 D CA 0.401 54.421 54.000 0.033 0.000 0.797 42 D CB 0.107 40.922 40.800 0.025 0.000 1.149 42 D HN 0.617 8.987 8.370 -0.000 0.000 0.455 43 D N 1.177 121.599 120.400 0.037 0.000 2.520 43 D HA 0.011 4.697 4.640 0.077 0.000 0.243 43 D C -1.240 175.074 176.300 0.024 0.000 1.160 43 D CA -0.940 53.081 54.000 0.034 0.000 0.877 43 D CB 1.342 42.171 40.800 0.048 0.000 1.150 43 D HN -0.060 8.310 8.370 -0.000 0.000 0.494 44 P HA -0.065 4.355 4.420 -0.000 0.000 0.216 44 P C 1.302 178.572 177.300 -0.050 0.000 1.150 44 P CA 1.182 64.273 63.100 -0.015 0.000 0.837 44 P CB 0.103 31.791 31.700 -0.019 0.000 0.786 45 G N -0.767 107.997 108.800 -0.059 0.000 2.404 45 G HA2 -0.217 3.789 3.960 0.077 0.000 0.215 45 G HA3 -0.217 3.789 3.960 0.077 0.000 0.215 45 G C 1.681 176.505 174.900 -0.126 0.000 1.174 45 G CA 0.870 45.871 45.100 -0.164 0.000 0.780 45 G HN 0.182 8.472 8.290 -0.000 0.000 0.537 46 S N 0.446 116.195 115.700 0.083 0.000 2.370 46 S HA -0.163 4.353 4.470 0.077 0.000 0.226 46 S C 2.362 177.039 174.600 0.129 0.000 1.033 46 S CA 1.473 59.789 58.200 0.193 0.000 1.011 46 S CB -0.278 63.005 63.200 0.137 0.000 0.852 46 S HN 0.523 8.833 8.310 -0.000 0.000 0.457 47 Q N 0.577 120.410 119.800 0.056 0.000 2.084 47 Q HA -0.051 4.335 4.340 0.077 0.000 0.202 47 Q C 2.521 178.539 176.000 0.030 0.000 0.978 47 Q CA 1.419 57.249 55.803 0.046 0.000 0.844 47 Q CB -0.346 28.406 28.738 0.024 0.000 0.898 47 Q HN 0.613 8.883 8.270 -0.000 0.000 0.426 48 A N -0.105 122.688 122.820 -0.045 0.000 1.969 48 A HA -0.171 4.196 4.320 0.077 0.000 0.218 48 A C 1.627 179.179 177.584 -0.053 0.000 1.169 48 A CA 1.035 53.019 52.037 -0.088 0.000 0.635 48 A CB -0.595 18.292 19.000 -0.188 0.000 0.810 48 A HN 0.331 8.481 8.150 -0.000 0.000 0.445 49 Y N -0.213 120.104 120.300 0.029 0.000 2.163 49 Y HA -0.145 4.451 4.550 0.076 0.000 0.288 49 Y C 2.651 178.561 175.900 0.017 0.000 1.136 49 Y CA 1.233 59.346 58.100 0.023 0.000 1.147 49 Y CB -0.835 37.636 38.460 0.018 0.000 0.987 49 Y HN 0.087 8.367 8.280 -0.000 0.000 0.509 50 V N -0.020 120.012 119.914 0.197 0.000 2.343 50 V HA -0.277 3.889 4.120 0.077 0.000 0.247 50 V C 2.470 178.650 176.094 0.143 0.000 1.051 50 V CA 1.709 64.086 62.300 0.128 0.000 1.036 50 V CB -0.511 31.403 31.823 0.151 0.000 0.654 50 V HN 0.317 8.507 8.190 -0.000 0.000 0.451 51 R N 0.023 120.605 120.500 0.136 0.000 2.083 51 R HA -0.158 4.229 4.340 0.077 0.000 0.237 51 R C 2.459 178.826 176.300 0.112 0.000 1.137 51 R CA 1.726 57.902 56.100 0.126 0.000 0.951 51 R CB -0.922 29.422 30.300 0.074 0.000 0.851 51 R HN 0.597 8.867 8.270 -0.000 0.000 0.434 52 G N 1.016 109.873 108.800 0.094 0.000 2.422 52 G HA2 -0.267 3.740 3.960 0.077 0.000 0.218 52 G HA3 -0.267 3.740 3.960 0.077 0.000 0.218 52 G C 1.301 176.250 174.900 0.082 0.000 1.146 52 G CA 0.713 45.870 45.100 0.095 0.000 0.769 52 G HN 0.287 8.577 8.290 -0.000 0.000 0.547 53 K N -0.571 119.851 120.400 0.036 0.000 2.057 53 K HA -0.031 4.335 4.320 0.077 0.000 0.206 53 K C 2.310 178.847 176.600 -0.104 0.000 1.050 53 K CA 1.044 57.296 56.287 -0.059 0.000 0.935 53 K CB -0.196 32.210 32.500 -0.157 0.000 0.715 53 K HN 0.277 8.527 8.250 -0.000 0.000 0.439 54 H N -0.029 119.066 119.070 0.041 0.000 2.428 54 H HA 0.041 4.643 4.556 0.077 0.000 0.296 54 H C 2.028 177.363 175.328 0.012 0.000 1.062 54 H CA 1.295 57.355 56.048 0.020 0.000 1.350 54 H CB -0.051 29.725 29.762 0.023 0.000 1.403 54 H HN 0.240 8.520 8.280 -0.000 0.000 0.533 55 A N 1.075 123.974 122.820 0.133 0.000 1.930 55 A HA -0.150 4.216 4.320 0.077 0.000 0.217 55 A C 2.035 179.656 177.584 0.061 0.000 1.175 55 A CA 1.694 53.783 52.037 0.088 0.000 0.627 55 A CB -0.153 18.898 19.000 0.085 0.000 0.815 55 A HN 0.250 8.400 8.150 -0.000 0.000 0.443 56 D N -0.401 120.032 120.400 0.057 0.000 2.117 56 D HA -0.113 4.573 4.640 0.077 0.000 0.198 56 D C 2.039 178.241 176.300 -0.163 0.000 0.982 56 D CA 1.277 55.272 54.000 -0.008 0.000 0.828 56 D CB -0.661 40.181 40.800 0.069 0.000 0.967 56 D HN 0.430 8.800 8.370 -0.000 0.000 0.464 57 C N 1.246 120.492 119.300 -0.090 0.000 2.413 57 C HA -0.122 4.384 4.460 0.077 0.000 0.276 57 C C 2.951 177.905 174.990 -0.059 0.000 1.236 57 C CA 0.991 59.961 59.018 -0.080 0.000 1.735 57 C CB -1.051 26.703 27.740 0.023 0.000 2.031 57 C HN 0.386 8.616 8.230 -0.000 0.000 0.474 58 A N 0.249 123.064 122.820 -0.008 0.000 1.940 58 A HA -0.239 4.127 4.320 0.077 0.000 0.219 58 A C 2.126 179.694 177.584 -0.027 0.000 1.176 58 A CA 1.821 53.855 52.037 -0.006 0.000 0.631 58 A CB -0.504 18.507 19.000 0.018 0.000 0.814 58 A HN 0.729 8.879 8.150 -0.000 0.000 0.446 59 K N -0.542 119.832 120.400 -0.042 0.000 2.147 59 K HA -0.097 4.269 4.320 0.077 0.000 0.205 59 K C 1.619 178.170 176.600 -0.081 0.000 1.049 59 K CA 1.659 57.923 56.287 -0.037 0.000 0.936 59 K CB -0.229 32.272 32.500 0.002 0.000 0.722 59 K HN 0.587 8.837 8.250 -0.000 0.000 0.446 60 V N -4.227 115.594 119.914 -0.156 0.000 3.660 60 V HA 0.387 4.553 4.120 0.077 0.000 0.276 60 V C 0.876 176.912 176.094 -0.096 0.000 1.317 60 V CA 0.400 62.606 62.300 -0.157 0.000 1.097 60 V CB 0.334 31.988 31.823 -0.281 0.000 0.863 60 V HN 0.347 8.537 8.190 -0.000 0.000 0.438 61 G N 0.911 109.668 108.800 -0.072 0.000 2.134 61 G HA2 -0.185 3.821 3.960 0.077 0.000 0.209 61 G HA3 -0.185 3.821 3.960 0.077 0.000 0.209 61 G C -0.160 174.718 174.900 -0.038 0.000 0.993 61 G CA 0.093 45.167 45.100 -0.043 0.000 0.669 61 G HN 0.567 8.857 8.290 -0.000 0.000 0.519 62 I N 2.151 122.694 120.570 -0.045 0.000 2.395 62 I HA 0.253 4.470 4.170 0.077 0.000 0.289 62 I C 1.069 177.189 176.117 0.004 0.000 1.023 62 I CA -0.456 60.829 61.300 -0.025 0.000 1.350 62 I CB 1.159 39.136 38.000 -0.039 0.000 1.409 62 I HN 0.042 8.252 8.210 -0.000 0.000 0.507 63 T N 4.569 119.130 114.554 0.010 0.000 2.940 63 T HA 0.039 4.436 4.350 0.077 0.000 0.309 63 T C 0.276 175.005 174.700 0.049 0.000 1.056 63 T CA -0.130 61.979 62.100 0.016 0.000 1.137 63 T CB 0.368 69.240 68.868 0.006 0.000 0.976 63 T HN 0.521 8.761 8.240 -0.000 0.000 0.547 64 S N 2.582 118.296 115.700 0.023 0.000 2.438 64 S HA 0.460 4.976 4.470 0.077 0.000 0.293 64 S C 0.002 174.547 174.600 -0.092 0.000 1.141 64 S CA -0.649 57.543 58.200 -0.014 0.000 1.080 64 S CB 0.093 63.159 63.200 -0.223 0.000 0.978 64 S HN 0.475 8.785 8.310 -0.000 0.000 0.479 65 I N 4.077 124.644 120.570 -0.006 0.000 2.382 65 I HA 0.420 4.636 4.170 0.077 0.000 0.286 65 I C 0.179 176.284 176.117 -0.020 0.000 1.002 65 I CA -0.459 60.826 61.300 -0.026 0.000 1.135 65 I CB 1.197 39.203 38.000 0.010 0.000 1.288 65 I HN 0.302 8.512 8.210 -0.000 0.000 0.448 66 R N 5.864 126.312 120.500 -0.086 0.000 2.514 66 R HA 0.584 4.970 4.340 0.077 0.000 0.301 66 R C -0.742 175.548 176.300 -0.017 0.000 0.962 66 R CA -1.037 55.042 56.100 -0.035 0.000 0.882 66 R CB 1.989 32.230 30.300 -0.098 0.000 1.143 66 R HN 0.400 8.670 8.270 -0.000 0.000 0.452 67 R N 2.469 122.976 120.500 0.011 0.000 2.352 67 R HA 0.243 4.629 4.340 0.077 0.000 0.304 67 R C -1.190 175.122 176.300 0.020 0.000 1.104 67 R CA -0.582 55.517 56.100 -0.003 0.000 0.991 67 R CB 1.099 31.384 30.300 -0.025 0.000 1.140 67 R HN 0.559 8.829 8.270 -0.000 0.000 0.540 68 D N 4.335 124.744 120.400 0.015 0.000 2.373 68 D HA 0.343 5.030 4.640 0.077 0.000 0.227 68 D C 0.244 176.556 176.300 0.021 0.000 1.091 68 D CA -0.219 53.796 54.000 0.025 0.000 0.840 68 D CB 1.885 42.698 40.800 0.022 0.000 1.060 68 D HN 0.222 8.592 8.370 -0.000 0.000 0.502 69 L N 3.258 124.498 121.223 0.028 0.000 2.330 69 L HA 0.494 4.880 4.340 0.077 0.000 0.271 69 L C -2.200 174.692 176.870 0.035 0.000 1.013 69 L CA -2.040 52.818 54.840 0.029 0.000 0.816 69 L CB 1.989 44.066 42.059 0.031 0.000 1.287 69 L HN 0.071 8.301 8.230 -0.000 0.000 0.435 70 P HA 0.092 4.512 4.420 -0.000 0.000 0.274 70 P C 0.052 177.387 177.300 0.059 0.000 1.231 70 P CA -0.402 62.721 63.100 0.039 0.000 0.790 70 P CB 1.205 32.922 31.700 0.030 0.000 0.951 71 A N 1.990 124.847 122.820 0.062 0.000 2.178 71 A HA -0.168 4.198 4.320 0.077 0.000 0.218 71 A C 1.046 178.718 177.584 0.148 0.000 1.157 71 A CA 1.785 53.879 52.037 0.095 0.000 0.689 71 A CB -1.233 17.811 19.000 0.073 0.000 0.787 71 A HN 0.672 8.822 8.150 -0.000 0.000 0.465 72 D N -0.747 119.704 120.400 0.086 0.000 2.462 72 D HA 0.233 4.919 4.640 0.077 0.000 0.221 72 D C 0.524 176.868 176.300 0.073 0.000 1.173 72 D CA -0.497 53.516 54.000 0.023 0.000 0.831 72 D CB -0.818 39.957 40.800 -0.041 0.000 1.001 72 D HN 0.590 8.960 8.370 -0.000 0.000 0.499 73 I N -0.950 119.707 120.570 0.145 0.000 2.993 73 I HA 0.194 4.410 4.170 0.077 0.000 0.286 73 I C 0.734 176.976 176.117 0.208 0.000 1.215 73 I CA -0.827 60.550 61.300 0.127 0.000 1.393 73 I CB 0.521 38.574 38.000 0.089 0.000 1.371 73 I HN 0.015 8.225 8.210 -0.000 0.000 0.602 74 S N 2.453 118.226 115.700 0.123 0.000 2.655 74 S HA 0.250 4.766 4.470 0.077 0.000 0.265 74 S C 0.962 175.617 174.600 0.091 0.000 1.240 74 S CA -0.155 58.120 58.200 0.125 0.000 0.986 74 S CB 1.247 64.488 63.200 0.069 0.000 0.985 74 S HN 0.750 9.060 8.310 -0.000 0.000 0.562 75 T N 1.263 115.860 114.554 0.072 0.000 2.777 75 T HA -0.008 4.388 4.350 0.077 0.000 0.266 75 T C 2.135 176.851 174.700 0.028 0.000 1.040 75 T CA 1.476 63.596 62.100 0.032 0.000 1.141 75 T CB -0.936 67.948 68.868 0.026 0.000 0.868 75 T HN 0.787 9.027 8.240 -0.000 0.000 0.444 76 A N 1.069 123.908 122.820 0.031 0.000 1.972 76 A HA -0.116 4.251 4.320 0.077 0.000 0.219 76 A C 2.505 180.103 177.584 0.022 0.000 1.169 76 A CA 1.962 54.013 52.037 0.024 0.000 0.635 76 A CB -1.057 17.956 19.000 0.022 0.000 0.810 76 A HN 0.465 8.615 8.150 -0.000 0.000 0.446 77 T N -0.154 114.416 114.554 0.027 0.000 2.857 77 T HA -0.068 4.328 4.350 0.077 0.000 0.266 77 T C 1.804 176.516 174.700 0.020 0.000 1.048 77 T CA 1.289 63.403 62.100 0.023 0.000 1.139 77 T CB -0.284 68.603 68.868 0.030 0.000 0.874 77 T HN 0.295 8.535 8.240 -0.000 0.000 0.455 78 L N 2.216 123.452 121.223 0.023 0.000 2.046 78 L HA -0.045 4.341 4.340 0.077 0.000 0.208 78 L C 1.874 178.756 176.870 0.021 0.000 1.077 78 L CA 1.713 56.564 54.840 0.019 0.000 0.747 78 L CB -0.867 41.199 42.059 0.012 0.000 0.896 78 L HN 0.100 8.330 8.230 -0.000 0.000 0.432 79 N N -0.098 118.615 118.700 0.022 0.000 2.188 79 N HA -0.172 4.614 4.740 0.077 0.000 0.184 79 N C 1.757 177.279 175.510 0.019 0.000 1.018 79 N CA 1.403 54.468 53.050 0.026 0.000 0.858 79 N CB -0.163 38.338 38.487 0.024 0.000 0.989 79 N HN 0.517 8.897 8.380 -0.000 0.000 0.426 80 E N -0.270 119.937 120.200 0.011 0.000 2.110 80 E HA -0.092 4.304 4.350 0.077 0.000 0.193 80 E C 1.554 178.147 176.600 -0.012 0.000 0.988 80 E CA 1.319 57.720 56.400 0.002 0.000 0.804 80 E CB -0.012 29.688 29.700 0.001 0.000 0.745 80 E HN 0.326 8.686 8.360 -0.000 0.000 0.458 81 T N 1.011 115.556 114.554 -0.015 0.000 2.737 81 T HA -0.094 4.302 4.350 0.077 0.000 0.265 81 T C 1.958 176.612 174.700 -0.078 0.000 1.038 81 T CA 0.788 62.861 62.100 -0.045 0.000 1.144 81 T CB -0.158 68.691 68.868 -0.032 0.000 0.866 81 T HN 0.088 8.328 8.240 -0.000 0.000 0.434 82 I N 1.468 122.026 120.570 -0.021 0.000 2.127 82 I HA -0.211 4.005 4.170 0.077 0.000 0.241 82 I C 2.337 178.467 176.117 0.022 0.000 1.075 82 I CA 1.322 62.640 61.300 0.030 0.000 1.334 82 I CB -0.361 37.709 38.000 0.116 0.000 1.040 82 I HN 0.144 8.354 8.210 -0.000 0.000 0.405 83 D N 0.357 120.769 120.400 0.020 0.000 2.144 83 D HA -0.218 4.468 4.640 0.077 0.000 0.199 83 D C 2.064 178.357 176.300 -0.012 0.000 0.984 83 D CA 1.056 55.066 54.000 0.018 0.000 0.834 83 D CB -0.336 40.473 40.800 0.015 0.000 0.955 83 D HN 0.382 8.752 8.370 -0.000 0.000 0.465 84 E N 0.888 121.063 120.200 -0.041 0.000 2.047 84 E HA -0.131 4.265 4.350 0.077 0.000 0.191 84 E C 2.366 178.907 176.600 -0.098 0.000 0.987 84 E CA 0.497 56.862 56.400 -0.058 0.000 0.799 84 E CB -0.215 29.449 29.700 -0.061 0.000 0.752 84 E HN 0.281 8.641 8.360 -0.000 0.000 0.449 85 L N 1.047 122.151 121.223 -0.199 0.000 2.083 85 L HA -0.193 4.193 4.340 0.077 0.000 0.209 85 L C 2.361 179.156 176.870 -0.125 0.000 1.083 85 L CA 1.049 55.690 54.840 -0.331 0.000 0.752 85 L CB -0.635 40.854 42.059 -0.950 0.000 0.899 85 L HN 0.117 8.347 8.230 -0.000 0.000 0.433 86 N N 0.540 119.240 118.700 0.001 0.000 2.137 86 N HA -0.177 4.610 4.740 0.077 0.000 0.190 86 N C 1.612 177.152 175.510 0.050 0.000 1.017 86 N CA 1.709 54.825 53.050 0.110 0.000 0.859 86 N CB -0.197 38.356 38.487 0.110 0.000 1.002 86 N HN 0.338 8.718 8.380 -0.000 0.000 0.428 87 A N -0.337 122.491 122.820 0.013 0.000 2.308 87 A HA 0.068 4.434 4.320 0.077 0.000 0.217 87 A C 0.781 178.363 177.584 -0.002 0.000 1.216 87 A CA -0.294 51.747 52.037 0.007 0.000 0.864 87 A CB -0.111 18.889 19.000 0.001 0.000 0.902 87 A HN 0.107 8.257 8.150 -0.000 0.000 0.499 88 N N 1.610 120.302 118.700 -0.013 0.000 2.399 88 N HA 0.099 4.885 4.740 0.077 0.000 0.259 88 N C -1.777 173.732 175.510 -0.001 0.000 1.160 88 N CA -1.666 51.373 53.050 -0.018 0.000 0.946 88 N CB 1.217 39.677 38.487 -0.045 0.000 1.156 88 N HN 0.116 8.496 8.380 -0.000 0.000 0.489 89 P HA -0.034 4.386 4.420 -0.000 0.000 0.226 89 P C -0.002 177.302 177.300 0.007 0.000 1.153 89 P CA 0.858 63.961 63.100 0.006 0.000 0.777 89 P CB 0.584 32.285 31.700 0.002 0.000 0.794 90 D N -1.211 119.191 120.400 0.004 0.000 2.354 90 D HA -0.005 4.682 4.640 0.077 0.000 0.209 90 D C 0.380 176.690 176.300 0.017 0.000 1.015 90 D CA 0.204 54.208 54.000 0.007 0.000 0.867 90 D CB -0.472 40.328 40.800 -0.000 0.000 0.933 90 D HN 0.117 8.487 8.370 -0.000 0.000 0.520 91 C N 2.014 121.326 119.300 0.021 0.000 2.289 91 C HA 0.255 4.761 4.460 0.077 0.000 0.340 91 C C 2.236 177.270 174.990 0.074 0.000 1.152 91 C CA -0.028 59.019 59.018 0.048 0.000 1.650 91 C CB -1.183 26.573 27.740 0.026 0.000 2.203 91 C HN 0.335 8.565 8.230 -0.000 0.000 0.511 92 T N 3.192 117.786 114.554 0.066 0.000 2.896 92 T HA 0.278 4.674 4.350 0.077 0.000 0.263 92 T C 0.773 175.518 174.700 0.074 0.000 1.050 92 T CA 1.205 63.339 62.100 0.056 0.000 1.140 92 T CB -0.111 68.776 68.868 0.032 0.000 0.877 92 T HN 1.002 9.242 8.240 -0.000 0.000 0.457 93 G N -0.312 108.549 108.800 0.102 0.000 2.704 93 G HA2 0.591 4.597 3.960 0.077 0.000 0.293 93 G HA3 0.591 4.597 3.960 0.077 0.000 0.293 93 G C -1.815 173.205 174.900 0.199 0.000 1.421 93 G CA -0.841 44.320 45.100 0.101 0.000 0.870 93 G HN 0.598 8.888 8.290 -0.000 0.000 0.492 94 Y N -0.762 119.544 120.300 0.011 0.000 2.638 94 Y HA 0.798 5.395 4.550 0.077 0.000 0.335 94 Y C -0.991 174.916 175.900 0.012 0.000 1.155 94 Y CA -1.748 56.361 58.100 0.015 0.000 1.046 94 Y CB 1.410 39.886 38.460 0.027 0.000 1.303 94 Y HN 0.813 9.093 8.280 -0.000 0.000 0.460 95 I N -0.385 120.268 120.570 0.138 0.000 2.740 95 I HA 0.810 5.026 4.170 0.077 0.000 0.303 95 I C -1.471 174.730 176.117 0.140 0.000 1.044 95 I CA -1.428 59.893 61.300 0.036 0.000 1.064 95 I CB 2.114 40.114 38.000 0.001 0.000 1.249 95 I HN 0.463 8.673 8.210 -0.000 0.000 0.433 96 V N 3.824 123.784 119.914 0.076 0.000 2.350 96 V HA 0.400 4.567 4.120 0.077 0.000 0.276 96 V C 0.066 176.187 176.094 0.045 0.000 1.028 96 V CA -0.453 61.903 62.300 0.093 0.000 0.860 96 V CB 0.834 32.706 31.823 0.081 0.000 0.990 96 V HN 0.858 9.048 8.190 -0.000 0.000 0.453 97 Q N 4.027 123.860 119.800 0.055 0.000 2.313 97 Q HA 0.401 4.787 4.340 0.077 0.000 0.266 97 Q C -1.077 174.943 176.000 0.033 0.000 0.989 97 Q CA 0.140 55.967 55.803 0.041 0.000 0.890 97 Q CB 0.989 29.771 28.738 0.072 0.000 1.200 97 Q HN 0.554 8.824 8.270 -0.000 0.000 0.396 98 L N 6.361 127.592 121.223 0.014 0.000 2.330 98 L HA 0.671 5.057 4.340 0.077 0.000 0.271 98 L C -2.090 174.801 176.870 0.035 0.000 1.013 98 L CA -2.042 52.805 54.840 0.012 0.000 0.816 98 L CB 1.298 43.350 42.059 -0.012 0.000 1.287 98 L HN 0.741 8.971 8.230 -0.000 0.000 0.435 99 P HA 0.310 4.730 4.420 -0.000 0.000 0.281 99 P C -0.995 176.316 177.300 0.018 0.000 1.249 99 P CA -0.639 62.473 63.100 0.020 0.000 0.810 99 P CB 1.049 32.762 31.700 0.022 0.000 1.008 100 L N 3.678 124.901 121.223 -0.001 0.000 2.375 100 L HA 0.429 4.815 4.340 0.077 0.000 0.271 100 L C -1.965 174.892 176.870 -0.023 0.000 1.107 100 L CA -2.077 52.753 54.840 -0.017 0.000 0.806 100 L CB -0.703 41.329 42.059 -0.044 0.000 1.146 100 L HN 0.297 8.527 8.230 -0.000 0.000 0.447 101 P HA -0.043 4.377 4.420 -0.000 0.000 0.264 101 P C 0.011 177.280 177.300 -0.051 0.000 1.173 101 P CA 0.152 63.260 63.100 0.014 0.000 0.761 101 P CB 0.500 32.251 31.700 0.085 0.000 0.794 102 K N 1.691 122.121 120.400 0.049 0.000 2.362 102 K HA -0.126 4.240 4.320 0.077 0.000 0.200 102 K C 1.708 178.326 176.600 0.031 0.000 1.046 102 K CA 1.029 57.334 56.287 0.029 0.000 0.952 102 K CB -0.603 31.928 32.500 0.052 0.000 0.753 102 K HN 0.626 8.876 8.250 -0.000 0.000 0.466 103 H N -0.622 118.453 119.070 0.009 0.000 2.556 103 H HA 0.074 4.676 4.556 0.077 0.000 0.268 103 H C -0.199 175.134 175.328 0.008 0.000 0.996 103 H CA 0.228 56.280 56.048 0.008 0.000 1.157 103 H CB -0.296 29.470 29.762 0.008 0.000 1.355 103 H HN 0.041 8.321 8.280 -0.000 0.000 0.597 104 L N 2.005 122.983 121.223 -0.407 0.000 2.296 104 L HA 0.156 4.543 4.340 0.077 0.000 0.286 104 L C -0.025 176.765 176.870 -0.134 0.000 1.023 104 L CA -0.962 53.698 54.840 -0.300 0.000 0.812 104 L CB 1.910 43.746 42.059 -0.371 0.000 1.223 104 L HN -0.051 8.179 8.230 -0.000 0.000 0.421 105 D N 2.998 123.351 120.400 -0.079 0.000 2.357 105 D HA -0.024 4.662 4.640 0.077 0.000 0.265 105 D C 1.072 177.344 176.300 -0.046 0.000 1.334 105 D CA 0.415 54.387 54.000 -0.048 0.000 0.984 105 D CB 0.696 41.479 40.800 -0.029 0.000 1.077 105 D HN 0.527 8.897 8.370 -0.000 0.000 0.514 106 E N 2.610 122.782 120.200 -0.046 0.000 2.049 106 E HA -0.280 4.116 4.350 0.077 0.000 0.198 106 E C 1.383 177.961 176.600 -0.036 0.000 1.007 106 E CA 1.057 57.434 56.400 -0.039 0.000 0.809 106 E CB 0.081 29.760 29.700 -0.035 0.000 0.749 106 E HN 0.453 8.813 8.360 -0.000 0.000 0.450 107 N N 0.171 118.847 118.700 -0.040 0.000 2.166 107 N HA -0.134 4.652 4.740 0.077 0.000 0.186 107 N C 1.586 177.066 175.510 -0.050 0.000 1.019 107 N CA 1.392 54.411 53.050 -0.051 0.000 0.856 107 N CB -0.094 38.362 38.487 -0.051 0.000 0.993 107 N HN 0.152 8.532 8.380 -0.000 0.000 0.426 108 A N 0.303 123.103 122.820 -0.034 0.000 1.908 108 A HA -0.019 4.347 4.320 0.077 0.000 0.218 108 A C 2.328 179.906 177.584 -0.009 0.000 1.181 108 A CA 1.915 53.940 52.037 -0.021 0.000 0.627 108 A CB -1.240 17.752 19.000 -0.013 0.000 0.818 108 A HN 0.435 8.585 8.150 -0.000 0.000 0.445 109 A N -0.209 122.607 122.820 -0.008 0.000 1.902 109 A HA -0.034 4.332 4.320 0.077 0.000 0.217 109 A C 2.144 179.741 177.584 0.023 0.000 1.181 109 A CA 1.500 53.546 52.037 0.015 0.000 0.623 109 A CB -0.617 18.389 19.000 0.011 0.000 0.818 109 A HN 0.487 8.637 8.150 -0.000 0.000 0.443 110 L N -0.687 120.527 121.223 -0.016 0.000 2.131 110 L HA -0.172 4.214 4.340 0.077 0.000 0.210 110 L C 2.426 179.248 176.870 -0.080 0.000 1.092 110 L CA 1.432 56.246 54.840 -0.043 0.000 0.759 110 L CB -0.581 41.428 42.059 -0.082 0.000 0.903 110 L HN 0.452 8.682 8.230 -0.000 0.000 0.435 111 E N -0.202 119.938 120.200 -0.101 0.000 2.285 111 E HA -0.159 4.237 4.350 0.077 0.000 0.194 111 E C 2.168 178.852 176.600 0.140 0.000 0.997 111 E CA 0.312 56.641 56.400 -0.117 0.000 0.845 111 E CB 0.048 29.688 29.700 -0.100 0.000 0.782 111 E HN 0.352 8.712 8.360 -0.000 0.000 0.491 112 R N 1.097 121.659 120.500 0.103 0.000 2.193 112 R HA 0.004 4.390 4.340 0.077 0.000 0.213 112 R C 0.428 176.820 176.300 0.154 0.000 1.055 112 R CA 0.068 56.239 56.100 0.118 0.000 0.995 112 R CB 0.260 30.609 30.300 0.083 0.000 0.893 112 R HN -0.081 8.189 8.270 -0.000 0.000 0.459 113 V N 2.776 122.796 119.914 0.176 0.000 2.694 113 V HA -0.113 4.053 4.120 0.077 0.000 0.306 113 V C 0.202 176.327 176.094 0.053 0.000 1.054 113 V CA 0.230 62.612 62.300 0.136 0.000 1.161 113 V CB 0.753 32.579 31.823 0.006 0.000 0.916 113 V HN 0.218 8.408 8.190 -0.000 0.000 0.490 114 D N 7.537 127.941 120.400 0.006 0.000 2.371 114 D HA 0.123 4.810 4.640 0.077 0.000 0.256 114 D C -1.340 174.814 176.300 -0.243 0.000 1.193 114 D CA -1.939 52.004 54.000 -0.096 0.000 0.881 114 D CB 1.743 42.541 40.800 -0.003 0.000 1.143 114 D HN 0.251 8.621 8.370 -0.000 0.000 0.473 115 P HA -0.085 4.335 4.420 -0.000 0.000 0.223 115 P C 0.753 177.932 177.300 -0.201 0.000 1.144 115 P CA 0.720 63.551 63.100 -0.449 0.000 0.783 115 P CB 0.087 31.480 31.700 -0.513 0.000 0.771 116 A N -0.161 122.575 122.820 -0.139 0.000 2.209 116 A HA -0.062 4.305 4.320 0.077 0.000 0.212 116 A C 1.657 179.209 177.584 -0.052 0.000 1.158 116 A CA 0.998 52.992 52.037 -0.073 0.000 0.742 116 A CB -0.623 18.350 19.000 -0.045 0.000 0.790 116 A HN 0.171 8.321 8.150 -0.000 0.000 0.472 117 K N -0.011 120.343 120.400 -0.077 0.000 2.564 117 K HA 0.071 4.437 4.320 0.077 0.000 0.205 117 K C -0.823 175.669 176.600 -0.181 0.000 1.053 117 K CA -0.113 56.138 56.287 -0.061 0.000 1.072 117 K CB 0.422 32.957 32.500 0.058 0.000 0.822 117 K HN 0.279 8.529 8.250 -0.000 0.000 0.497 118 D N 1.188 121.492 120.400 -0.160 0.000 2.517 118 D HA 0.160 4.846 4.640 0.077 0.000 0.220 118 D C 0.986 177.228 176.300 -0.097 0.000 1.158 118 D CA -0.235 53.668 54.000 -0.161 0.000 0.992 118 D CB 0.844 41.587 40.800 -0.095 0.000 1.058 118 D HN 0.203 8.573 8.370 -0.000 0.000 0.516 119 A N 3.245 126.004 122.820 -0.102 0.000 1.972 119 A HA -0.154 4.212 4.320 0.077 0.000 0.219 119 A C 1.811 179.378 177.584 -0.028 0.000 1.169 119 A CA 1.017 53.027 52.037 -0.045 0.000 0.635 119 A CB -0.100 18.883 19.000 -0.028 0.000 0.810 119 A HN 0.460 8.610 8.150 -0.000 0.000 0.446 120 D N -0.914 119.459 120.400 -0.045 0.000 2.312 120 D HA 0.115 4.801 4.640 0.077 0.000 0.211 120 D C 1.498 177.787 176.300 -0.018 0.000 0.964 120 D CA 1.233 55.215 54.000 -0.030 0.000 0.877 120 D CB -0.267 40.506 40.800 -0.045 0.000 0.924 120 D HN 0.580 8.950 8.370 -0.000 0.000 0.515 121 G N 0.640 109.429 108.800 -0.018 0.000 2.198 121 G HA2 -0.287 3.720 3.960 0.077 0.000 0.260 121 G HA3 -0.287 3.720 3.960 0.077 0.000 0.260 121 G C 0.764 175.663 174.900 -0.003 0.000 1.025 121 G CA 0.454 45.550 45.100 -0.007 0.000 0.769 121 G HN 0.425 8.715 8.290 -0.000 0.000 0.507 122 L N -0.777 120.444 121.223 -0.003 0.000 2.766 122 L HA 0.287 4.673 4.340 0.077 0.000 0.242 122 L C 1.135 178.001 176.870 -0.006 0.000 1.136 122 L CA -0.621 54.211 54.840 -0.013 0.000 0.933 122 L CB 0.221 42.260 42.059 -0.034 0.000 1.241 122 L HN 0.395 8.625 8.230 -0.000 0.000 0.522 123 H N 2.671 121.704 119.070 -0.061 0.000 2.928 123 H HA 0.021 4.623 4.556 0.077 0.000 0.338 123 H C -1.366 173.938 175.328 -0.040 0.000 1.047 123 H CA -0.879 55.136 56.048 -0.056 0.000 1.435 123 H CB 1.129 30.852 29.762 -0.065 0.000 1.428 123 H HN -0.136 8.144 8.280 -0.000 0.000 0.590 124 P HA -0.190 4.230 4.420 -0.000 0.000 0.216 124 P C 1.101 178.454 177.300 0.090 0.000 1.150 124 P CA 1.611 64.666 63.100 -0.075 0.000 0.843 124 P CB 0.171 31.774 31.700 -0.161 0.000 0.787 125 T N -0.390 114.371 114.554 0.345 0.000 2.746 125 T HA -0.122 4.274 4.350 0.077 0.000 0.267 125 T C 1.693 176.456 174.700 0.106 0.000 1.039 125 T CA 1.754 63.983 62.100 0.214 0.000 1.142 125 T CB -0.964 68.007 68.868 0.172 0.000 0.866 125 T HN 0.330 8.570 8.240 -0.000 0.000 0.444 126 N N 0.638 119.405 118.700 0.113 0.000 2.270 126 N HA 0.118 4.904 4.740 0.077 0.000 0.181 126 N C 1.725 177.253 175.510 0.029 0.000 1.016 126 N CA 0.491 53.566 53.050 0.042 0.000 0.870 126 N CB -0.198 38.305 38.487 0.027 0.000 0.979 126 N HN 0.249 8.629 8.380 -0.000 0.000 0.431 127 L N 0.199 121.443 121.223 0.034 0.000 2.093 127 L HA -0.019 4.368 4.340 0.077 0.000 0.208 127 L C 2.523 179.398 176.870 0.008 0.000 1.085 127 L CA 0.896 55.742 54.840 0.010 0.000 0.755 127 L CB -0.584 41.474 42.059 -0.001 0.000 0.904 127 L HN 0.266 8.496 8.230 -0.000 0.000 0.435 128 G N -0.235 108.575 108.800 0.017 0.000 2.402 128 G HA2 -0.224 3.782 3.960 0.077 0.000 0.216 128 G HA3 -0.224 3.782 3.960 0.077 0.000 0.216 128 G C 1.726 176.631 174.900 0.009 0.000 1.162 128 G CA 0.336 45.443 45.100 0.012 0.000 0.777 128 G HN 0.258 8.548 8.290 -0.000 0.000 0.539 129 R N -0.617 119.889 120.500 0.011 0.000 2.120 129 R HA -0.007 4.379 4.340 0.077 0.000 0.234 129 R C 2.416 178.716 176.300 0.000 0.000 1.123 129 R CA 1.023 57.126 56.100 0.005 0.000 0.975 129 R CB -0.408 29.894 30.300 0.003 0.000 0.866 129 R HN 0.383 8.653 8.270 -0.000 0.000 0.446 130 L N 0.583 121.806 121.223 -0.000 0.000 2.027 130 L HA -0.130 4.256 4.340 0.077 0.000 0.206 130 L C 1.963 178.830 176.870 -0.005 0.000 1.074 130 L CA 1.588 56.425 54.840 -0.005 0.000 0.745 130 L CB -0.419 41.636 42.059 -0.008 0.000 0.898 130 L HN -0.102 8.128 8.230 -0.000 0.000 0.433 131 V N -0.022 119.890 119.914 -0.003 0.000 2.282 131 V HA -0.330 3.837 4.120 0.077 0.000 0.249 131 V C 2.534 178.626 176.094 -0.003 0.000 1.057 131 V CA 2.314 64.611 62.300 -0.003 0.000 1.032 131 V CB -0.705 31.117 31.823 -0.003 0.000 0.645 131 V HN 0.480 8.670 8.190 -0.000 0.000 0.447 132 L N -0.267 120.955 121.223 -0.002 0.000 2.446 132 L HA 0.282 4.668 4.340 0.077 0.000 0.219 132 L C 1.712 178.581 176.870 -0.002 0.000 1.116 132 L CA 0.874 55.713 54.840 -0.002 0.000 0.844 132 L CB -0.317 41.742 42.059 -0.000 0.000 0.970 132 L HN 0.594 8.824 8.230 -0.000 0.000 0.457 133 G N 0.684 109.482 108.800 -0.003 0.000 2.132 133 G HA2 -0.263 3.743 3.960 0.077 0.000 0.228 133 G HA3 -0.263 3.743 3.960 0.077 0.000 0.228 133 G C 0.356 175.254 174.900 -0.003 0.000 1.000 133 G CA 0.343 45.441 45.100 -0.004 0.000 0.693 133 G HN 0.331 8.621 8.290 -0.000 0.000 0.515 134 T N 0.466 115.019 114.554 -0.002 0.000 2.799 134 T HA 0.629 5.025 4.350 0.077 0.000 0.286 134 T C -2.097 172.601 174.700 -0.003 0.000 0.973 134 T CA -1.552 60.547 62.100 -0.002 0.000 1.035 134 T CB 1.575 70.441 68.868 -0.002 0.000 0.932 134 T HN 0.037 8.277 8.240 -0.000 0.000 0.469 135 P HA 0.474 4.894 4.420 -0.000 0.000 0.264 135 P C -0.839 176.459 177.300 -0.003 0.000 1.193 135 P CA 0.069 63.168 63.100 -0.001 0.000 0.763 135 P CB 0.491 32.191 31.700 0.001 0.000 0.810 136 A N 4.153 126.971 122.820 -0.003 0.000 2.544 136 A HA 0.584 4.950 4.320 0.077 0.000 0.291 136 A C -3.013 174.569 177.584 -0.004 0.000 1.055 136 A CA -1.209 50.824 52.037 -0.007 0.000 0.651 136 A CB -0.148 18.846 19.000 -0.010 0.000 1.296 136 A HN 0.264 8.414 8.150 -0.000 0.000 0.431 137 P HA 0.381 4.801 4.420 -0.000 0.000 0.264 137 P C -0.889 176.409 177.300 -0.003 0.000 1.183 137 P CA 0.137 63.236 63.100 -0.002 0.000 0.763 137 P CB 0.167 31.861 31.700 -0.011 0.000 0.807 138 L N 6.037 127.258 121.223 -0.003 0.000 2.331 138 L HA 0.527 4.913 4.340 0.077 0.000 0.275 138 L C -2.181 174.678 176.870 -0.019 0.000 1.022 138 L CA -2.684 52.145 54.840 -0.018 0.000 0.812 138 L CB 0.921 42.958 42.059 -0.037 0.000 1.257 138 L HN 0.268 8.498 8.230 -0.000 0.000 0.435 139 P HA 0.073 4.493 4.420 -0.000 0.000 0.271 139 P C 0.630 177.910 177.300 -0.033 0.000 1.216 139 P CA -0.133 62.952 63.100 -0.025 0.000 0.771 139 P CB 0.608 32.291 31.700 -0.028 0.000 0.864 140 C N 2.298 121.597 119.300 -0.001 0.000 2.413 140 C HA -0.125 4.381 4.460 0.077 0.000 0.276 140 C C 2.695 177.687 174.990 0.004 0.000 1.248 140 C CA 1.640 60.681 59.018 0.039 0.000 1.742 140 C CB -1.885 25.904 27.740 0.082 0.000 2.017 140 C HN 0.603 8.833 8.230 -0.000 0.000 0.481 141 T N 1.343 115.892 114.554 -0.010 0.000 2.732 141 T HA -0.058 4.338 4.350 0.077 0.000 0.261 141 T C -0.268 174.404 174.700 -0.047 0.000 1.040 141 T CA 1.573 63.667 62.100 -0.011 0.000 1.145 141 T CB -1.372 67.492 68.868 -0.006 0.000 0.866 141 T HN 0.362 8.602 8.240 -0.000 0.000 0.427 142 P HA -0.082 4.338 4.420 -0.000 0.000 0.216 142 P C 1.535 178.755 177.300 -0.133 0.000 1.153 142 P CA 1.169 64.225 63.100 -0.074 0.000 0.858 142 P CB -0.019 31.643 31.700 -0.064 0.000 0.789 143 R N -0.597 119.774 120.500 -0.214 0.000 2.081 143 R HA -0.071 4.315 4.340 0.077 0.000 0.235 143 R C 2.360 178.287 176.300 -0.621 0.000 1.131 143 R CA 1.818 57.662 56.100 -0.426 0.000 0.960 143 R CB -1.085 28.889 30.300 -0.544 0.000 0.856 143 R HN 0.193 8.463 8.270 -0.000 0.000 0.436 144 G N 0.388 108.923 108.800 -0.443 0.000 2.448 144 G HA2 -0.157 3.849 3.960 0.077 0.000 0.218 144 G HA3 -0.157 3.849 3.960 0.077 0.000 0.218 144 G C 1.419 176.338 174.900 0.032 0.000 1.135 144 G CA 0.279 45.310 45.100 -0.115 0.000 0.784 144 G HN 0.217 8.507 8.290 -0.000 0.000 0.543 145 I N 0.498 121.055 120.570 -0.022 0.000 2.179 145 I HA -0.167 4.049 4.170 0.077 0.000 0.242 145 I C 2.709 178.824 176.117 -0.004 0.000 1.088 145 I CA 0.648 61.946 61.300 -0.004 0.000 1.357 145 I CB -0.183 37.803 38.000 -0.024 0.000 1.051 145 I HN 0.020 8.230 8.210 -0.000 0.000 0.409 146 V N 0.167 120.058 119.914 -0.038 0.000 2.427 146 V HA -0.310 3.856 4.120 0.077 0.000 0.248 146 V C 2.438 178.540 176.094 0.013 0.000 1.051 146 V CA 2.196 64.478 62.300 -0.031 0.000 1.048 146 V CB -0.899 30.888 31.823 -0.059 0.000 0.666 146 V HN 0.487 8.677 8.190 -0.000 0.000 0.456 147 H N -0.406 118.633 119.070 -0.052 0.000 2.357 147 H HA -0.153 4.449 4.556 0.077 0.000 0.301 147 H C 1.990 177.385 175.328 0.111 0.000 1.082 147 H CA 1.897 57.980 56.048 0.058 0.000 1.342 147 H CB -0.003 29.873 29.762 0.189 0.000 1.389 147 H HN 0.277 8.557 8.280 -0.000 0.000 0.511 148 L N 0.197 121.554 121.223 0.224 0.000 2.046 148 L HA -0.111 4.276 4.340 0.077 0.000 0.208 148 L C 2.087 179.028 176.870 0.118 0.000 1.077 148 L CA 1.430 56.389 54.840 0.197 0.000 0.747 148 L CB -0.723 41.428 42.059 0.155 0.000 0.896 148 L HN 0.399 8.629 8.230 -0.000 0.000 0.432 149 L N -0.830 120.409 121.223 0.028 0.000 1.989 149 L HA -0.240 4.146 4.340 0.077 0.000 0.211 149 L C 2.741 179.601 176.870 -0.017 0.000 1.071 149 L CA 1.617 56.439 54.840 -0.029 0.000 0.749 149 L CB -0.560 41.466 42.059 -0.056 0.000 0.890 149 L HN 0.208 8.438 8.230 -0.000 0.000 0.431 150 R N -0.548 119.926 120.500 -0.043 0.000 2.120 150 R HA -0.165 4.221 4.340 0.077 0.000 0.234 150 R C 2.367 178.614 176.300 -0.090 0.000 1.123 150 R CA 0.868 56.924 56.100 -0.073 0.000 0.975 150 R CB -0.304 29.937 30.300 -0.099 0.000 0.866 150 R HN 0.132 8.402 8.270 -0.000 0.000 0.446 151 R N 0.292 120.731 120.500 -0.102 0.000 2.120 151 R HA -0.144 4.242 4.340 0.077 0.000 0.234 151 R C 0.725 176.925 176.300 -0.168 0.000 1.123 151 R CA 1.544 57.561 56.100 -0.138 0.000 0.975 151 R CB -0.265 30.000 30.300 -0.059 0.000 0.866 151 R HN 0.253 8.523 8.270 -0.000 0.000 0.446 152 Y N 0.664 120.918 120.300 -0.077 0.000 2.493 152 Y HA 0.200 4.798 4.550 0.079 0.000 0.275 152 Y C -0.005 175.848 175.900 -0.077 0.000 1.183 152 Y CA -0.038 58.030 58.100 -0.054 0.000 1.258 152 Y CB 0.322 38.746 38.460 -0.061 0.000 1.108 152 Y HN 0.105 8.385 8.280 -0.000 0.000 0.521 153 D N -0.141 120.262 120.400 0.005 0.000 3.012 153 D HA -0.220 4.466 4.640 0.077 0.000 0.222 153 D C -0.307 175.976 176.300 -0.029 0.000 1.167 153 D CA 0.721 54.713 54.000 -0.013 0.000 0.854 153 D CB -1.475 39.327 40.800 0.002 0.000 1.107 153 D HN 0.325 8.695 8.370 -0.000 0.000 0.421 154 I N 1.243 121.769 120.570 -0.074 0.000 2.471 154 I HA 0.017 4.233 4.170 0.077 0.000 0.286 154 I C 1.129 177.208 176.117 -0.064 0.000 1.079 154 I CA -0.121 61.110 61.300 -0.114 0.000 1.398 154 I CB 0.853 38.719 38.000 -0.223 0.000 1.403 154 I HN -0.034 8.176 8.210 -0.000 0.000 0.530 155 S N 6.643 122.318 115.700 -0.042 0.000 2.549 155 S HA 0.309 4.826 4.470 0.077 0.000 0.279 155 S C 0.885 175.468 174.600 -0.027 0.000 1.321 155 S CA -0.692 57.492 58.200 -0.027 0.000 1.054 155 S CB 1.491 64.683 63.200 -0.014 0.000 0.899 155 S HN 0.450 8.760 8.310 -0.000 0.000 0.497 156 I N 0.972 121.528 120.570 -0.023 0.000 2.947 156 I HA 0.200 4.416 4.170 0.077 0.000 0.263 156 I C 1.583 177.693 176.117 -0.012 0.000 1.130 156 I CA 0.240 61.528 61.300 -0.019 0.000 1.448 156 I CB -1.759 36.228 38.000 -0.022 0.000 1.222 156 I HN 0.789 8.999 8.210 -0.000 0.000 0.453 157 A N 1.143 123.956 122.820 -0.012 0.000 2.524 157 A HA 0.391 4.757 4.320 0.077 0.000 0.250 157 A C 1.492 179.072 177.584 -0.008 0.000 1.078 157 A CA 0.909 52.941 52.037 -0.010 0.000 0.761 157 A CB -0.578 18.416 19.000 -0.010 0.000 1.012 157 A HN 0.841 8.991 8.150 -0.000 0.000 0.500 158 G N 1.221 110.016 108.800 -0.009 0.000 2.205 158 G HA2 0.082 4.089 3.960 0.077 0.000 0.261 158 G HA3 0.082 4.089 3.960 0.077 0.000 0.261 158 G C 0.687 175.588 174.900 0.002 0.000 0.980 158 G CA 0.562 45.657 45.100 -0.009 0.000 0.632 158 G HN 2.236 10.526 8.290 -0.000 0.000 0.533 159 A N 0.037 122.863 122.820 0.011 0.000 2.462 159 A HA 0.537 4.904 4.320 0.077 0.000 0.243 159 A C 0.210 177.841 177.584 0.078 0.000 1.076 159 A CA 0.499 52.557 52.037 0.034 0.000 0.773 159 A CB 0.107 19.118 19.000 0.018 0.000 1.010 159 A HN 0.824 8.974 8.150 -0.000 0.000 0.493 160 H N 1.789 120.846 119.070 -0.021 0.000 2.782 160 H HA 0.456 5.059 4.556 0.079 0.000 0.285 160 H C -0.965 174.347 175.328 -0.026 0.000 1.093 160 H CA -0.595 55.440 56.048 -0.022 0.000 1.410 160 H CB 0.451 30.200 29.762 -0.021 0.000 1.439 160 H HN 0.362 8.642 8.280 -0.000 0.000 0.469 161 V N 6.783 126.820 119.914 0.206 0.000 2.370 161 V HA 0.115 4.282 4.120 0.077 0.000 0.279 161 V C -0.085 176.022 176.094 0.022 0.000 1.029 161 V CA -0.760 61.569 62.300 0.049 0.000 0.870 161 V CB 1.408 33.249 31.823 0.031 0.000 0.984 161 V HN 0.486 8.676 8.190 -0.000 0.000 0.451 162 V N 6.154 126.009 119.914 -0.099 0.000 2.350 162 V HA 0.330 4.496 4.120 0.077 0.000 0.276 162 V C -0.007 176.053 176.094 -0.056 0.000 1.028 162 V CA -0.390 61.850 62.300 -0.101 0.000 0.860 162 V CB 1.765 33.478 31.823 -0.184 0.000 0.990 162 V HN 0.643 8.833 8.190 -0.000 0.000 0.453 163 V N 7.277 127.175 119.914 -0.027 0.000 2.370 163 V HA 0.444 4.610 4.120 0.077 0.000 0.279 163 V C 0.028 176.113 176.094 -0.014 0.000 1.029 163 V CA -0.345 61.946 62.300 -0.015 0.000 0.870 163 V CB 1.446 33.270 31.823 0.002 0.000 0.984 163 V HN 0.658 8.848 8.190 -0.000 0.000 0.451 164 I N 4.883 125.445 120.570 -0.014 0.000 2.307 164 I HA 0.763 4.979 4.170 0.077 0.000 0.289 164 I C 0.696 176.824 176.117 0.018 0.000 1.021 164 I CA -0.047 61.250 61.300 -0.006 0.000 1.224 164 I CB 1.080 39.072 38.000 -0.013 0.000 1.376 164 I HN 0.839 9.049 8.210 -0.000 0.000 0.470 165 G N 5.332 114.161 108.800 0.048 0.000 2.697 165 G HA2 -0.035 3.971 3.960 0.077 0.000 0.684 165 G HA3 -0.035 3.971 3.960 0.077 0.000 0.684 165 G C -0.367 174.573 174.900 0.067 0.000 1.274 165 G CA -1.019 44.117 45.100 0.060 0.000 0.806 165 G HN 0.855 9.145 8.290 -0.000 0.000 0.644 166 R N 0.918 121.454 120.500 0.058 0.000 2.690 166 R HA 0.525 4.911 4.340 0.077 0.000 0.419 166 R C 0.857 177.157 176.300 -0.000 0.000 1.090 166 R CA -0.065 56.054 56.100 0.032 0.000 1.064 166 R CB 0.704 31.009 30.300 0.009 0.000 1.391 166 R HN 1.148 9.418 8.270 -0.000 0.000 0.586 167 G N 0.653 109.454 108.800 0.002 0.000 2.432 167 G HA2 0.166 4.172 3.960 0.077 0.000 0.239 167 G HA3 0.166 4.172 3.960 0.077 0.000 0.239 167 G C 1.101 175.992 174.900 -0.015 0.000 1.291 167 G CA -0.165 44.930 45.100 -0.009 0.000 0.863 167 G HN 0.203 8.493 8.290 -0.000 0.000 0.560 168 V N 0.034 119.934 119.914 -0.023 0.000 2.970 168 V HA -0.040 4.126 4.120 0.077 0.000 0.260 168 V C 2.100 178.178 176.094 -0.027 0.000 1.100 168 V CA 2.116 64.400 62.300 -0.027 0.000 1.122 168 V CB -0.821 30.982 31.823 -0.033 0.000 0.721 168 V HN 0.837 9.027 8.190 -0.000 0.000 0.483 169 T N -3.968 110.571 114.554 -0.026 0.000 3.001 169 T HA 0.315 4.711 4.350 0.077 0.000 0.251 169 T C 1.133 175.819 174.700 -0.024 0.000 1.040 169 T CA 0.851 62.934 62.100 -0.028 0.000 0.985 169 T CB 0.856 69.703 68.868 -0.034 0.000 1.011 169 T HN 0.337 8.577 8.240 -0.000 0.000 0.509 170 V N 0.569 120.472 119.914 -0.018 0.000 3.927 170 V HA 0.447 4.613 4.120 0.077 0.000 0.190 170 V C 2.803 178.891 176.094 -0.011 0.000 1.201 170 V CA 0.499 62.790 62.300 -0.015 0.000 1.324 170 V CB -0.941 30.876 31.823 -0.010 0.000 1.545 170 V HN 0.371 8.561 8.190 -0.000 0.000 0.534 171 G N 0.433 109.232 108.800 -0.003 0.000 2.514 171 G HA2 -0.263 3.744 3.960 0.077 0.000 0.217 171 G HA3 -0.263 3.744 3.960 0.077 0.000 0.217 171 G C 1.632 176.536 174.900 0.006 0.000 1.198 171 G CA 1.418 46.522 45.100 0.006 0.000 0.780 171 G HN 0.398 8.688 8.290 -0.000 0.000 0.565 172 R N 0.711 121.212 120.500 0.003 0.000 2.070 172 R HA -0.050 4.336 4.340 0.077 0.000 0.233 172 R C 0.229 176.526 176.300 -0.006 0.000 1.137 172 R CA 1.707 57.807 56.100 0.000 0.000 0.945 172 R CB -0.940 29.356 30.300 -0.008 0.000 0.845 172 R HN 0.389 8.659 8.270 -0.000 0.000 0.430 173 P HA -0.173 4.247 4.420 -0.000 0.000 0.217 173 P C 1.427 178.716 177.300 -0.018 0.000 1.150 173 P CA 1.132 64.222 63.100 -0.017 0.000 0.832 173 P CB -0.042 31.645 31.700 -0.022 0.000 0.787 174 L N -0.192 121.020 121.223 -0.018 0.000 2.043 174 L HA -0.141 4.246 4.340 0.077 0.000 0.212 174 L C 2.515 179.377 176.870 -0.013 0.000 1.075 174 L CA 2.339 57.167 54.840 -0.020 0.000 0.752 174 L CB -1.382 40.666 42.059 -0.017 0.000 0.891 174 L HN 0.063 8.293 8.230 -0.000 0.000 0.432 175 G N -0.271 108.527 108.800 -0.004 0.000 2.442 175 G HA2 -0.258 3.748 3.960 0.077 0.000 0.219 175 G HA3 -0.258 3.748 3.960 0.077 0.000 0.219 175 G C 1.569 176.467 174.900 -0.002 0.000 1.141 175 G CA 0.733 45.834 45.100 0.003 0.000 0.763 175 G HN 0.364 8.654 8.290 -0.000 0.000 0.554 176 L N -0.555 120.664 121.223 -0.006 0.000 2.109 176 L HA 0.061 4.447 4.340 0.077 0.000 0.207 176 L C 2.633 179.495 176.870 -0.013 0.000 1.086 176 L CA 0.295 55.129 54.840 -0.009 0.000 0.760 176 L CB -0.391 41.663 42.059 -0.009 0.000 0.910 176 L HN 0.203 8.433 8.230 -0.000 0.000 0.437 177 L N -0.130 121.081 121.223 -0.019 0.000 2.027 177 L HA -0.156 4.230 4.340 0.077 0.000 0.206 177 L C 2.242 179.099 176.870 -0.023 0.000 1.074 177 L CA 1.708 56.533 54.840 -0.026 0.000 0.745 177 L CB -0.349 41.687 42.059 -0.039 0.000 0.898 177 L HN 0.100 8.330 8.230 -0.000 0.000 0.433 178 L N -0.831 120.381 121.223 -0.019 0.000 2.275 178 L HA -0.114 4.272 4.340 0.077 0.000 0.215 178 L C 1.852 178.715 176.870 -0.011 0.000 1.119 178 L CA 1.377 56.208 54.840 -0.015 0.000 0.790 178 L CB -0.780 41.273 42.059 -0.009 0.000 0.919 178 L HN 0.498 8.728 8.230 -0.000 0.000 0.443 179 T N -3.872 110.675 114.554 -0.010 0.000 3.122 179 T HA 0.138 4.534 4.350 0.077 0.000 0.250 179 T C 0.904 175.597 174.700 -0.011 0.000 1.067 179 T CA -0.456 61.638 62.100 -0.010 0.000 0.966 179 T CB -0.055 68.808 68.868 -0.008 0.000 1.002 179 T HN 0.124 8.364 8.240 -0.000 0.000 0.542 180 R N 1.141 121.634 120.500 -0.012 0.000 2.694 180 R HA 0.342 4.728 4.340 0.077 0.000 0.268 180 R C 1.352 177.645 176.300 -0.011 0.000 1.061 180 R CA -0.390 55.704 56.100 -0.011 0.000 1.133 180 R CB 0.672 30.965 30.300 -0.012 0.000 1.020 180 R HN 0.222 8.492 8.270 -0.000 0.000 0.475 181 R N 0.455 120.950 120.500 -0.009 0.000 2.159 181 R HA -0.140 4.246 4.340 0.077 0.000 0.237 181 R C 2.103 178.399 176.300 -0.008 0.000 1.131 181 R CA 1.936 58.031 56.100 -0.009 0.000 0.982 181 R CB -0.099 30.196 30.300 -0.007 0.000 0.868 181 R HN 0.692 8.962 8.270 -0.000 0.000 0.453 182 S N -0.365 115.331 115.700 -0.007 0.000 2.522 182 S HA -0.011 4.505 4.470 0.077 0.000 0.227 182 S C 1.249 175.844 174.600 -0.009 0.000 0.986 182 S CA 0.713 58.909 58.200 -0.006 0.000 0.929 182 S CB 0.224 63.421 63.200 -0.004 0.000 0.769 182 S HN 0.205 8.515 8.310 -0.000 0.000 0.529 183 E N 1.011 121.204 120.200 -0.012 0.000 2.182 183 E HA 0.303 4.699 4.350 0.077 0.000 0.195 183 E C 0.431 177.024 176.600 -0.013 0.000 0.933 183 E CA 0.313 56.705 56.400 -0.014 0.000 0.940 183 E CB 0.021 29.711 29.700 -0.017 0.000 0.945 183 E HN 0.334 8.694 8.360 -0.000 0.000 0.477 184 N N -0.909 117.783 118.700 -0.012 0.000 2.926 184 N HA -0.137 4.649 4.740 0.077 0.000 0.249 184 N C -1.261 174.241 175.510 -0.013 0.000 1.100 184 N CA 0.727 53.769 53.050 -0.013 0.000 0.777 184 N CB -1.358 37.122 38.487 -0.012 0.000 1.112 184 N HN 0.228 8.608 8.380 -0.000 0.000 0.552 185 A N -0.645 122.169 122.820 -0.010 0.000 2.286 185 A HA 0.664 5.031 4.320 0.077 0.000 0.286 185 A C 0.519 178.098 177.584 -0.009 0.000 1.097 185 A CA 0.211 52.246 52.037 -0.004 0.000 0.821 185 A CB 0.546 19.549 19.000 0.005 0.000 1.076 185 A HN 0.243 8.393 8.150 -0.000 0.000 0.490 186 T N 1.119 115.664 114.554 -0.014 0.000 2.817 186 T HA 0.486 4.882 4.350 0.077 0.000 0.293 186 T C -0.426 174.294 174.700 0.034 0.000 0.964 186 T CA -0.064 62.009 62.100 -0.045 0.000 1.085 186 T CB 0.708 69.475 68.868 -0.167 0.000 0.921 186 T HN 0.420 8.660 8.240 -0.000 0.000 0.502 187 V N 3.641 123.575 119.914 0.033 0.000 2.483 187 V HA 0.510 4.677 4.120 0.077 0.000 0.297 187 V C 0.420 176.569 176.094 0.091 0.000 1.027 187 V CA -0.970 61.379 62.300 0.080 0.000 0.855 187 V CB 1.829 33.674 31.823 0.038 0.000 0.995 187 V HN 1.031 9.221 8.190 -0.000 0.000 0.424 188 T N 5.294 119.940 114.554 0.153 0.000 2.767 188 T HA 0.678 5.075 4.350 0.077 0.000 0.284 188 T C -0.625 174.096 174.700 0.035 0.000 0.973 188 T CA -0.431 61.730 62.100 0.101 0.000 0.996 188 T CB 0.540 69.500 68.868 0.153 0.000 0.927 188 T HN 0.395 8.635 8.240 -0.000 0.000 0.456 189 L N 4.751 125.987 121.223 0.023 0.000 2.255 189 L HA 0.480 4.866 4.340 0.077 0.000 0.289 189 L C 0.047 176.889 176.870 -0.046 0.000 1.046 189 L CA -0.842 54.013 54.840 0.025 0.000 0.816 189 L CB 0.588 42.688 42.059 0.069 0.000 1.197 189 L HN 0.742 8.972 8.230 -0.000 0.000 0.427 190 C N 1.621 120.870 119.300 -0.085 0.000 2.486 190 C HA 0.926 5.433 4.460 0.077 0.000 0.348 190 C C -0.060 174.826 174.990 -0.172 0.000 1.203 190 C CA -0.447 58.418 59.018 -0.255 0.000 1.911 190 C CB 1.205 28.853 27.740 -0.154 0.000 2.340 190 C HN 0.999 9.229 8.230 -0.000 0.000 0.511 191 H N -3.212 115.857 119.070 -0.003 0.000 2.848 191 H HA 0.254 4.856 4.556 0.077 0.000 0.264 191 H C 0.545 175.872 175.328 -0.001 0.000 1.474 191 H CA 0.101 56.148 56.048 -0.002 0.000 1.149 191 H CB -0.603 29.157 29.762 -0.003 0.000 1.843 191 H HN 0.436 8.716 8.280 -0.000 0.000 0.583 192 T N -2.928 111.766 114.554 0.233 0.000 2.977 192 T HA -0.018 4.379 4.350 0.077 0.000 0.271 192 T C 1.786 176.579 174.700 0.157 0.000 1.105 192 T CA 1.122 63.303 62.100 0.135 0.000 1.116 192 T CB -0.848 68.069 68.868 0.082 0.000 0.878 192 T HN 0.796 9.036 8.240 -0.000 0.000 0.509 193 G N 0.721 109.730 108.800 0.349 0.000 2.985 193 G HA2 0.159 4.165 3.960 0.077 0.000 0.209 193 G HA3 0.159 4.165 3.960 0.077 0.000 0.209 193 G C 0.464 175.423 174.900 0.099 0.000 1.165 193 G CA -0.197 45.048 45.100 0.243 0.000 0.776 193 G HN 0.491 8.781 8.290 -0.000 0.000 0.541 194 T N 1.289 115.817 114.554 -0.043 0.000 2.779 194 T HA 0.251 4.647 4.350 0.077 0.000 0.296 194 T C 0.397 175.065 174.700 -0.054 0.000 0.938 194 T CA -0.315 61.706 62.100 -0.132 0.000 1.119 194 T CB 1.242 69.969 68.868 -0.235 0.000 0.891 194 T HN 0.255 8.495 8.240 -0.000 0.000 0.526 195 R N 3.293 123.769 120.500 -0.040 0.000 2.298 195 R HA 0.094 4.481 4.340 0.077 0.000 0.310 195 R C -0.371 175.911 176.300 -0.030 0.000 1.068 195 R CA -0.190 55.896 56.100 -0.023 0.000 0.957 195 R CB 0.181 30.473 30.300 -0.013 0.000 1.003 195 R HN 0.660 8.930 8.270 -0.000 0.000 0.454 196 D N 3.786 124.172 120.400 -0.023 0.000 2.828 196 D HA -0.183 4.503 4.640 0.077 0.000 0.241 196 D C 0.567 176.847 176.300 -0.034 0.000 1.142 196 D CA 0.566 54.552 54.000 -0.024 0.000 0.755 196 D CB -0.425 40.364 40.800 -0.019 0.000 1.014 196 D HN 0.591 8.961 8.370 -0.000 0.000 0.420 197 L N 2.460 123.660 121.223 -0.038 0.000 2.012 197 L HA 0.033 4.419 4.340 0.077 0.000 0.210 197 L C -0.859 175.983 176.870 -0.046 0.000 1.073 197 L CA 2.112 56.923 54.840 -0.048 0.000 0.748 197 L CB -0.987 41.045 42.059 -0.045 0.000 0.891 197 L HN 0.205 8.435 8.230 -0.000 0.000 0.431 198 P HA -0.205 4.215 4.420 -0.000 0.000 0.216 198 P C 1.511 178.787 177.300 -0.041 0.000 1.150 198 P CA 2.124 65.201 63.100 -0.039 0.000 0.843 198 P CB -0.275 31.407 31.700 -0.031 0.000 0.787 199 A N -1.434 121.365 122.820 -0.034 0.000 2.070 199 A HA -0.129 4.238 4.320 0.077 0.000 0.220 199 A C 2.097 179.660 177.584 -0.035 0.000 1.159 199 A CA 1.319 53.339 52.037 -0.029 0.000 0.656 199 A CB -1.384 17.604 19.000 -0.020 0.000 0.800 199 A HN 0.164 8.314 8.150 -0.000 0.000 0.453 200 L N -0.994 120.199 121.223 -0.050 0.000 2.221 200 L HA -0.049 4.337 4.340 0.077 0.000 0.202 200 L C 2.905 179.697 176.870 -0.129 0.000 1.074 200 L CA 1.372 56.171 54.840 -0.069 0.000 0.795 200 L CB -0.801 41.221 42.059 -0.061 0.000 0.960 200 L HN 0.526 8.756 8.230 -0.000 0.000 0.458 201 T N -2.229 112.259 114.554 -0.110 0.000 2.833 201 T HA -0.199 4.197 4.350 0.077 0.000 0.269 201 T C 1.945 176.576 174.700 -0.115 0.000 1.054 201 T CA 0.927 62.954 62.100 -0.122 0.000 1.135 201 T CB -0.339 68.477 68.868 -0.086 0.000 0.869 201 T HN 0.214 8.454 8.240 -0.000 0.000 0.466 202 R N 1.048 121.498 120.500 -0.084 0.000 2.237 202 R HA 0.038 4.424 4.340 0.077 0.000 0.219 202 R C 2.620 178.880 176.300 -0.066 0.000 1.080 202 R CA 1.167 57.229 56.100 -0.065 0.000 0.995 202 R CB -0.203 30.070 30.300 -0.044 0.000 0.875 202 R HN 0.617 8.887 8.270 -0.000 0.000 0.462 203 Q N -0.220 119.524 119.800 -0.092 0.000 2.424 203 Q HA 0.152 4.539 4.340 0.077 0.000 0.204 203 Q C 0.137 176.054 176.000 -0.138 0.000 0.933 203 Q CA 0.118 55.879 55.803 -0.069 0.000 0.929 203 Q CB 0.607 29.338 28.738 -0.011 0.000 1.037 203 Q HN 0.178 8.448 8.270 -0.000 0.000 0.511 204 A N 1.160 123.840 122.820 -0.234 0.000 2.363 204 A HA 0.068 4.435 4.320 0.077 0.000 0.270 204 A C 0.176 177.697 177.584 -0.104 0.000 1.121 204 A CA -0.463 51.416 52.037 -0.263 0.000 0.800 204 A CB 0.430 19.265 19.000 -0.276 0.000 1.052 204 A HN 0.091 8.241 8.150 -0.000 0.000 0.493 205 D N 1.135 121.507 120.400 -0.047 0.000 2.194 205 D HA 0.048 4.734 4.640 0.077 0.000 0.204 205 D C 0.201 176.478 176.300 -0.039 0.000 0.964 205 D CA 1.498 55.486 54.000 -0.020 0.000 0.846 205 D CB 0.191 40.998 40.800 0.012 0.000 0.962 205 D HN 0.555 8.925 8.370 -0.000 0.000 0.490 206 I N 1.151 121.689 120.570 -0.053 0.000 2.499 206 I HA 0.185 4.401 4.170 0.077 0.000 0.288 206 I C -0.854 175.216 176.117 -0.079 0.000 1.048 206 I CA -0.774 60.489 61.300 -0.062 0.000 1.062 206 I CB 2.995 40.965 38.000 -0.050 0.000 1.238 206 I HN -0.393 7.817 8.210 -0.000 0.000 0.426 207 V N 6.776 126.640 119.914 -0.083 0.000 2.417 207 V HA 0.370 4.536 4.120 0.077 0.000 0.291 207 V C -0.076 175.977 176.094 -0.067 0.000 1.024 207 V CA -0.707 61.544 62.300 -0.082 0.000 0.861 207 V CB 1.992 33.763 31.823 -0.086 0.000 0.985 207 V HN 0.405 8.595 8.190 -0.000 0.000 0.436 208 V N 4.475 124.358 119.914 -0.053 0.000 2.328 208 V HA 0.616 4.782 4.120 0.077 0.000 0.278 208 V C 0.538 176.615 176.094 -0.029 0.000 1.021 208 V CA -0.476 61.800 62.300 -0.039 0.000 0.838 208 V CB 1.408 33.213 31.823 -0.030 0.000 0.999 208 V HN 0.955 9.145 8.190 -0.000 0.000 0.447 209 A N 4.401 127.206 122.820 -0.024 0.000 2.366 209 A HA 0.771 5.137 4.320 0.077 0.000 0.322 209 A C 0.549 178.135 177.584 0.003 0.000 1.397 209 A CA 0.045 52.077 52.037 -0.009 0.000 0.984 209 A CB 0.491 19.489 19.000 -0.004 0.000 1.149 209 A HN 1.291 9.441 8.150 -0.000 0.000 0.540 210 A N 2.744 125.568 122.820 0.006 0.000 3.176 210 A HA 0.502 4.869 4.320 0.077 0.000 0.265 210 A C 0.261 177.854 177.584 0.016 0.000 0.936 210 A CA 0.151 52.194 52.037 0.010 0.000 1.033 210 A CB 0.151 19.154 19.000 0.005 0.000 1.158 210 A HN 1.344 9.494 8.150 -0.000 0.000 0.485 211 V N -0.369 119.557 119.914 0.020 0.000 3.612 211 V HA 0.433 4.600 4.120 0.077 0.000 0.268 211 V C 1.186 177.293 176.094 0.021 0.000 1.365 211 V CA 1.222 63.536 62.300 0.024 0.000 1.044 211 V CB 0.307 32.147 31.823 0.029 0.000 0.820 211 V HN 1.709 9.899 8.190 -0.000 0.000 0.444 212 G N 1.231 110.043 108.800 0.020 0.000 2.326 212 G HA2 -0.155 3.852 3.960 0.077 0.000 0.286 212 G HA3 -0.155 3.852 3.960 0.077 0.000 0.286 212 G C -0.322 174.587 174.900 0.014 0.000 1.096 212 G CA 0.342 45.452 45.100 0.017 0.000 1.003 212 G HN 0.918 9.208 8.290 -0.000 0.000 0.503 213 V N 0.451 120.376 119.914 0.019 0.000 2.488 213 V HA 0.722 4.888 4.120 0.077 0.000 0.293 213 V C 0.785 176.891 176.094 0.019 0.000 1.027 213 V CA -0.646 61.664 62.300 0.017 0.000 0.862 213 V CB 1.482 33.320 31.823 0.026 0.000 1.008 213 V HN 1.623 9.813 8.190 -0.000 0.000 0.428 214 A N 3.705 126.513 122.820 -0.019 0.000 2.563 214 A HA 0.160 4.526 4.320 0.077 0.000 0.256 214 A C 0.912 178.502 177.584 0.010 0.000 1.056 214 A CA 0.950 52.932 52.037 -0.091 0.000 0.775 214 A CB -1.020 17.869 19.000 -0.186 0.000 0.973 214 A HN 1.289 9.439 8.150 -0.000 0.000 0.516 215 H N 0.142 119.238 119.070 0.043 0.000 2.776 215 H HA -0.176 4.417 4.556 0.061 0.000 0.300 215 H C 1.009 176.398 175.328 0.103 0.000 1.161 215 H CA 0.374 56.471 56.048 0.083 0.000 1.147 215 H CB -1.091 28.727 29.762 0.094 0.000 1.366 215 H HN 0.672 8.952 8.280 -0.000 0.000 0.397 216 L N 0.116 121.438 121.223 0.165 0.000 2.042 216 L HA -0.087 4.300 4.340 0.077 0.000 0.210 216 L C 1.065 177.982 176.870 0.078 0.000 1.076 216 L CA 1.480 56.379 54.840 0.099 0.000 0.749 216 L CB -0.131 41.963 42.059 0.059 0.000 0.893 216 L HN 0.250 8.480 8.230 -0.000 0.000 0.432 217 L N 1.247 122.516 121.223 0.075 0.000 2.278 217 L HA 0.206 4.592 4.340 0.077 0.000 0.287 217 L C 0.246 177.142 176.870 0.044 0.000 1.072 217 L CA 0.178 55.038 54.840 0.034 0.000 0.819 217 L CB 0.976 43.040 42.059 0.008 0.000 1.176 217 L HN 0.194 8.424 8.230 -0.000 0.000 0.435 218 T N 1.454 116.008 114.554 -0.001 0.000 2.950 218 T HA 0.656 5.052 4.350 0.077 0.000 0.288 218 T C 1.179 175.842 174.700 -0.061 0.000 1.035 218 T CA -0.282 61.787 62.100 -0.051 0.000 1.028 218 T CB 1.524 70.321 68.868 -0.118 0.000 1.109 218 T HN 0.607 8.847 8.240 -0.000 0.000 0.514 219 A N 1.316 124.088 122.820 -0.080 0.000 1.948 219 A HA -0.155 4.211 4.320 0.077 0.000 0.220 219 A C 1.982 179.533 177.584 -0.054 0.000 1.177 219 A CA 2.068 54.071 52.037 -0.057 0.000 0.636 219 A CB -1.110 17.860 19.000 -0.050 0.000 0.815 219 A HN 1.002 9.152 8.150 -0.000 0.000 0.449 220 D N -0.966 119.397 120.400 -0.062 0.000 2.371 220 D HA -0.076 4.610 4.640 0.077 0.000 0.221 220 D C 1.518 177.791 176.300 -0.045 0.000 0.986 220 D CA 0.875 54.845 54.000 -0.049 0.000 0.899 220 D CB -0.266 40.505 40.800 -0.050 0.000 0.902 220 D HN 0.556 8.926 8.370 -0.000 0.000 0.530 221 M N 0.287 119.858 119.600 -0.048 0.000 2.441 221 M HA 0.129 4.655 4.480 0.077 0.000 0.244 221 M C 0.042 176.310 176.300 -0.054 0.000 1.122 221 M CA 0.076 55.348 55.300 -0.047 0.000 1.041 221 M CB 1.457 34.031 32.600 -0.043 0.000 1.438 221 M HN -0.217 8.073 8.290 -0.000 0.000 0.484 222 V N 1.042 120.924 119.914 -0.054 0.000 2.483 222 V HA 0.339 4.505 4.120 0.077 0.000 0.295 222 V C 0.079 176.142 176.094 -0.051 0.000 1.035 222 V CA -0.987 61.277 62.300 -0.060 0.000 0.896 222 V CB 1.726 33.509 31.823 -0.066 0.000 0.986 222 V HN 0.265 8.455 8.190 -0.000 0.000 0.447 223 R N 5.346 125.814 120.500 -0.052 0.000 2.442 223 R HA 0.259 4.645 4.340 0.077 0.000 0.291 223 R C -2.468 173.812 176.300 -0.034 0.000 1.069 223 R CA -1.301 54.776 56.100 -0.039 0.000 1.022 223 R CB 0.783 31.060 30.300 -0.037 0.000 0.976 223 R HN 0.425 8.695 8.270 -0.000 0.000 0.443 224 P HA 0.048 4.468 4.420 -0.000 0.000 0.264 224 P C 0.200 177.491 177.300 -0.016 0.000 1.193 224 P CA 0.908 63.995 63.100 -0.022 0.000 0.763 224 P CB 0.965 32.656 31.700 -0.015 0.000 0.810 225 G N 1.762 110.552 108.800 -0.017 0.000 2.234 225 G HA2 -0.178 3.828 3.960 0.077 0.000 0.235 225 G HA3 -0.178 3.828 3.960 0.077 0.000 0.235 225 G C 0.477 175.387 174.900 0.017 0.000 0.997 225 G CA 0.004 45.104 45.100 -0.000 0.000 0.623 225 G HN 0.846 9.136 8.290 -0.000 0.000 0.514 226 A N 0.320 123.135 122.820 -0.009 0.000 2.366 226 A HA 0.807 5.173 4.320 0.077 0.000 0.249 226 A C 0.806 178.383 177.584 -0.012 0.000 1.084 226 A CA 1.096 53.124 52.037 -0.015 0.000 0.794 226 A CB 0.530 19.503 19.000 -0.044 0.000 1.034 226 A HN 2.092 10.242 8.150 -0.000 0.000 0.491 227 A N 0.765 123.571 122.820 -0.024 0.000 2.301 227 A HA 0.598 4.964 4.320 0.077 0.000 0.312 227 A C -0.550 176.977 177.584 -0.094 0.000 1.182 227 A CA -0.390 51.619 52.037 -0.046 0.000 0.826 227 A CB 0.586 19.529 19.000 -0.094 0.000 1.134 227 A HN 1.082 9.232 8.150 -0.000 0.000 0.501 228 V N 4.421 124.254 119.914 -0.135 0.000 2.483 228 V HA 0.343 4.509 4.120 0.077 0.000 0.297 228 V C -0.682 175.321 176.094 -0.151 0.000 1.027 228 V CA -0.451 61.758 62.300 -0.152 0.000 0.855 228 V CB 1.494 33.195 31.823 -0.203 0.000 0.995 228 V HN 0.729 8.919 8.190 -0.000 0.000 0.424 229 I N 3.695 124.203 120.570 -0.103 0.000 2.362 229 I HA 0.389 4.605 4.170 0.077 0.000 0.289 229 I C -0.368 175.718 176.117 -0.051 0.000 0.994 229 I CA -0.219 61.035 61.300 -0.076 0.000 1.158 229 I CB 1.670 39.637 38.000 -0.055 0.000 1.315 229 I HN 0.583 8.793 8.210 -0.000 0.000 0.451 230 D N 6.529 126.908 120.400 -0.035 0.000 2.443 230 D HA 0.332 5.018 4.640 0.077 0.000 0.221 230 D C 0.471 176.782 176.300 0.019 0.000 1.097 230 D CA -0.175 53.825 54.000 -0.000 0.000 0.865 230 D CB 1.505 42.318 40.800 0.022 0.000 1.034 230 D HN 0.253 8.623 8.370 -0.000 0.000 0.511 231 V N 2.665 122.589 119.914 0.017 0.000 2.911 231 V HA 0.307 4.474 4.120 0.077 0.000 0.237 231 V C 1.568 177.678 176.094 0.026 0.000 1.156 231 V CA 0.379 62.691 62.300 0.020 0.000 1.180 231 V CB -0.432 31.397 31.823 0.010 0.000 0.932 231 V HN 0.574 8.764 8.190 -0.000 0.000 0.483 232 G N 0.742 109.557 108.800 0.025 0.000 2.491 232 G HA2 0.402 4.408 3.960 0.077 0.000 0.238 232 G HA3 0.402 4.408 3.960 0.077 0.000 0.238 232 G C -0.853 174.065 174.900 0.031 0.000 1.277 232 G CA 0.244 45.359 45.100 0.025 0.000 0.851 232 G HN 0.166 8.456 8.290 -0.000 0.000 0.573 233 V N 1.190 121.120 119.914 0.026 0.000 2.686 233 V HA 0.680 4.846 4.120 0.077 0.000 0.306 233 V C -0.025 176.077 176.094 0.015 0.000 1.065 233 V CA -0.548 61.767 62.300 0.025 0.000 0.894 233 V CB 1.820 33.664 31.823 0.035 0.000 1.004 233 V HN 1.204 9.394 8.190 -0.000 0.000 0.424 234 S N 3.905 119.606 115.700 0.000 0.000 2.661 234 S HA 0.790 5.306 4.470 0.077 0.000 0.285 234 S C -0.797 173.794 174.600 -0.015 0.000 1.138 234 S CA -1.039 57.158 58.200 -0.006 0.000 0.855 234 S CB 2.314 65.507 63.200 -0.011 0.000 1.136 234 S HN 0.726 9.036 8.310 -0.000 0.000 0.484 235 R N 0.552 121.045 120.500 -0.012 0.000 2.229 235 R HA 0.586 4.972 4.340 0.077 0.000 0.328 235 R C -0.246 176.039 176.300 -0.024 0.000 1.009 235 R CA -0.052 56.039 56.100 -0.015 0.000 0.864 235 R CB 1.048 31.346 30.300 -0.005 0.000 1.085 235 R HN 0.824 9.094 8.270 -0.000 0.000 0.453 236 T N 0.671 115.204 114.554 -0.035 0.000 2.804 236 T HA 0.168 4.564 4.350 0.077 0.000 0.272 236 T C 0.499 175.183 174.700 -0.027 0.000 0.986 236 T CA -0.689 61.388 62.100 -0.038 0.000 0.999 236 T CB 1.112 69.940 68.868 -0.066 0.000 1.307 236 T HN 0.606 8.846 8.240 -0.000 0.000 0.586 237 D N 0.778 121.164 120.400 -0.023 0.000 2.218 237 D HA -0.047 4.639 4.640 0.077 0.000 0.204 237 D C 0.913 177.204 176.300 -0.016 0.000 0.976 237 D CA 1.031 55.022 54.000 -0.015 0.000 0.853 237 D CB 0.032 40.826 40.800 -0.010 0.000 0.939 237 D HN 0.512 8.882 8.370 -0.000 0.000 0.481 238 D N -0.222 120.164 120.400 -0.023 0.000 2.340 238 D HA 0.231 4.917 4.640 0.077 0.000 0.220 238 D C 1.505 177.793 176.300 -0.020 0.000 1.039 238 D CA 0.531 54.518 54.000 -0.021 0.000 0.866 238 D CB 0.746 41.531 40.800 -0.025 0.000 0.913 238 D HN 0.230 8.600 8.370 -0.000 0.000 0.523 239 G N 0.502 109.290 108.800 -0.021 0.000 2.443 239 G HA2 -0.180 3.827 3.960 0.077 0.000 0.209 239 G HA3 -0.180 3.827 3.960 0.077 0.000 0.209 239 G C -1.008 173.880 174.900 -0.021 0.000 1.176 239 G CA -0.789 44.301 45.100 -0.016 0.000 1.074 239 G HN 0.174 8.464 8.290 -0.000 0.000 0.577 240 L N 0.658 121.874 121.223 -0.012 0.000 2.276 240 L HA 0.639 5.026 4.340 0.077 0.000 0.286 240 L C 0.140 177.000 176.870 -0.017 0.000 1.061 240 L CA -0.835 54.000 54.840 -0.010 0.000 0.807 240 L CB 1.327 43.391 42.059 0.008 0.000 1.177 240 L HN 0.457 8.687 8.230 -0.000 0.000 0.429 241 V N 2.069 121.960 119.914 -0.039 0.000 2.735 241 V HA 0.588 4.754 4.120 0.077 0.000 0.310 241 V C 0.637 176.716 176.094 -0.025 0.000 1.061 241 V CA -0.627 61.634 62.300 -0.065 0.000 0.913 241 V CB 1.870 33.561 31.823 -0.219 0.000 1.005 241 V HN 0.862 9.052 8.190 -0.000 0.000 0.428 242 G N 0.990 109.817 108.800 0.045 0.000 2.588 242 G HA2 0.271 4.277 3.960 0.077 0.000 0.278 242 G HA3 0.271 4.277 3.960 0.077 0.000 0.278 242 G C 0.133 175.098 174.900 0.109 0.000 1.307 242 G CA -0.164 44.987 45.100 0.084 0.000 1.016 242 G HN 0.710 9.000 8.290 -0.000 0.000 0.503 243 D N -1.353 119.109 120.400 0.103 0.000 2.349 243 D HA 0.082 4.768 4.640 0.077 0.000 0.215 243 D C 0.622 177.006 176.300 0.139 0.000 1.016 243 D CA 0.356 54.417 54.000 0.101 0.000 0.870 243 D CB 0.606 41.439 40.800 0.055 0.000 0.917 243 D HN 0.021 8.391 8.370 -0.000 0.000 0.524 244 V N 0.866 120.875 119.914 0.160 0.000 2.417 244 V HA 0.156 4.322 4.120 0.077 0.000 0.291 244 V C -0.132 176.011 176.094 0.081 0.000 1.024 244 V CA -0.961 61.404 62.300 0.108 0.000 0.861 244 V CB 1.575 33.412 31.823 0.023 0.000 0.985 244 V HN 0.075 8.265 8.190 -0.000 0.000 0.436 245 H N 8.087 127.104 119.070 -0.088 0.000 2.848 245 H HA 0.155 4.725 4.556 0.023 0.000 0.341 245 H C -1.340 173.891 175.328 -0.162 0.000 1.060 245 H CA -0.884 54.964 56.048 -0.333 0.000 1.444 245 H CB 1.490 31.154 29.762 -0.164 0.000 1.446 245 H HN 0.401 8.681 8.280 -0.000 0.000 0.583 246 P HA -0.180 4.240 4.420 -0.000 0.000 0.220 246 P C 0.517 177.987 177.300 0.283 0.000 1.144 246 P CA 1.125 64.283 63.100 0.097 0.000 0.800 246 P CB 0.364 31.997 31.700 -0.112 0.000 0.772 247 D N -0.830 119.790 120.400 0.366 0.000 2.350 247 D HA -0.064 4.622 4.640 0.077 0.000 0.216 247 D C 1.893 178.277 176.300 0.140 0.000 0.968 247 D CA 0.446 54.578 54.000 0.220 0.000 0.894 247 D CB -0.542 40.324 40.800 0.109 0.000 0.909 247 D HN 0.031 8.401 8.370 -0.000 0.000 0.520 248 V N -0.452 119.539 119.914 0.128 0.000 2.515 248 V HA -0.184 3.982 4.120 0.077 0.000 0.250 248 V C 1.745 177.834 176.094 -0.009 0.000 1.058 248 V CA 0.913 63.216 62.300 0.005 0.000 1.064 248 V CB -0.536 31.241 31.823 -0.078 0.000 0.675 248 V HN 0.305 8.495 8.190 -0.000 0.000 0.461 249 W N 0.238 121.529 121.300 -0.014 0.000 2.364 249 W HA -0.125 4.576 4.660 0.067 0.000 0.281 249 W C 2.468 178.971 176.519 -0.027 0.000 1.219 249 W CA 1.190 58.521 57.345 -0.024 0.000 1.220 249 W CB -0.153 29.291 29.460 -0.026 0.000 1.127 249 W HN 0.206 8.386 8.180 -0.000 0.000 0.556 250 E N -0.150 120.158 120.200 0.179 0.000 2.031 250 E HA -0.158 4.239 4.350 0.077 0.000 0.193 250 E C 2.010 178.639 176.600 0.050 0.000 0.994 250 E CA 1.420 57.880 56.400 0.099 0.000 0.800 250 E CB -0.649 29.091 29.700 0.066 0.000 0.752 250 E HN 0.352 8.712 8.360 -0.000 0.000 0.447 251 L N -0.192 121.042 121.223 0.019 0.000 2.638 251 L HA 0.260 4.646 4.340 0.077 0.000 0.232 251 L C 0.991 177.843 176.870 -0.031 0.000 1.099 251 L CA -0.278 54.558 54.840 -0.006 0.000 0.883 251 L CB 0.272 42.325 42.059 -0.010 0.000 1.136 251 L HN -0.124 8.106 8.230 -0.000 0.000 0.492 252 A N 0.200 122.986 122.820 -0.058 0.000 2.466 252 A HA 0.378 4.744 4.320 0.077 0.000 0.238 252 A C 1.403 178.930 177.584 -0.095 0.000 1.074 252 A CA 0.567 52.547 52.037 -0.094 0.000 0.774 252 A CB 0.320 19.214 19.000 -0.178 0.000 1.015 252 A HN 0.302 8.452 8.150 -0.000 0.000 0.498 253 G N -0.524 108.232 108.800 -0.074 0.000 2.453 253 G HA2 0.305 4.311 3.960 0.077 0.000 0.215 253 G HA3 0.305 4.311 3.960 0.077 0.000 0.215 253 G C 0.312 174.990 174.900 -0.370 0.000 1.147 253 G CA 0.835 45.859 45.100 -0.126 0.000 0.802 253 G HN 0.836 9.126 8.290 -0.000 0.000 0.535 254 H N -2.485 116.490 119.070 -0.158 0.000 2.974 254 H HA 0.607 5.209 4.556 0.077 0.000 0.366 254 H C -1.388 173.713 175.328 -0.380 0.000 1.155 254 H CA -0.633 55.278 56.048 -0.229 0.000 1.186 254 H CB 2.571 32.213 29.762 -0.200 0.000 1.799 254 H HN 0.001 8.281 8.280 -0.000 0.000 0.541 255 V N 1.675 121.323 119.914 -0.443 0.000 2.733 255 V HA 0.389 4.555 4.120 0.077 0.000 0.306 255 V C -0.424 175.416 176.094 -0.422 0.000 1.084 255 V CA -1.028 60.868 62.300 -0.674 0.000 0.905 255 V CB 2.045 32.925 31.823 -1.572 0.000 1.010 255 V HN 0.925 9.115 8.190 -0.000 0.000 0.424 256 S N 5.229 120.791 115.700 -0.231 0.000 2.489 256 S HA 0.612 5.129 4.470 0.077 0.000 0.277 256 S C -2.228 172.405 174.600 0.054 0.000 1.230 256 S CA -1.178 56.983 58.200 -0.066 0.000 1.053 256 S CB 1.301 64.473 63.200 -0.047 0.000 0.955 256 S HN 0.588 8.898 8.310 -0.000 0.000 0.488 257 P HA 0.264 4.684 4.420 -0.000 0.000 0.274 257 P C -1.114 176.277 177.300 0.150 0.000 1.246 257 P CA -0.570 62.693 63.100 0.272 0.000 0.795 257 P CB 0.377 32.231 31.700 0.256 0.000 1.006 258 N N 1.033 119.821 118.700 0.147 0.000 2.577 258 N HA 0.300 5.086 4.740 0.077 0.000 0.275 258 N C -2.235 173.328 175.510 0.088 0.000 1.091 258 N CA -1.250 51.861 53.050 0.101 0.000 0.843 258 N CB 1.028 39.571 38.487 0.094 0.000 1.295 258 N HN 0.309 8.689 8.380 -0.000 0.000 0.530 259 P HA 0.472 4.892 4.420 -0.000 0.000 0.284 259 P C 0.505 177.843 177.300 0.064 0.000 1.292 259 P CA 0.058 63.195 63.100 0.062 0.000 0.800 259 P CB 0.877 32.606 31.700 0.048 0.000 1.188 260 G N -2.182 106.651 108.800 0.056 0.000 2.141 260 G HA2 -0.102 3.905 3.960 0.077 0.000 0.231 260 G HA3 -0.102 3.905 3.960 0.077 0.000 0.231 260 G C 0.519 175.457 174.900 0.063 0.000 0.984 260 G CA 0.434 45.565 45.100 0.051 0.000 0.660 260 G HN 0.911 9.201 8.290 -0.000 0.000 0.525 261 G N -0.749 108.091 108.800 0.066 0.000 2.508 261 G HA2 0.400 4.407 3.960 0.077 0.000 0.217 261 G HA3 0.400 4.407 3.960 0.077 0.000 0.217 261 G C 1.373 176.311 174.900 0.063 0.000 2.004 261 G CA 1.003 46.142 45.100 0.065 0.000 0.750 261 G HN 0.696 8.986 8.290 -0.000 0.000 0.730 262 V N 1.923 121.870 119.914 0.056 0.000 2.453 262 V HA 0.044 4.210 4.120 0.077 0.000 0.247 262 V C 3.111 179.244 176.094 0.065 0.000 1.048 262 V CA 1.941 64.277 62.300 0.060 0.000 1.049 262 V CB -0.744 31.103 31.823 0.041 0.000 0.672 262 V HN 0.509 8.699 8.190 -0.000 0.000 0.457 263 G N 1.188 110.022 108.800 0.058 0.000 2.529 263 G HA2 -0.247 3.759 3.960 0.077 0.000 0.219 263 G HA3 -0.247 3.759 3.960 0.077 0.000 0.219 263 G C -0.153 174.783 174.900 0.060 0.000 1.177 263 G CA 1.341 46.476 45.100 0.059 0.000 0.773 263 G HN 0.521 8.811 8.290 -0.000 0.000 0.573 264 P HA -0.005 4.415 4.420 -0.000 0.000 0.220 264 P C 1.899 179.215 177.300 0.027 0.000 1.148 264 P CA 0.422 63.529 63.100 0.010 0.000 0.803 264 P CB 0.021 31.706 31.700 -0.026 0.000 0.782 265 L N -1.098 120.175 121.223 0.082 0.000 2.131 265 L HA -0.054 4.332 4.340 0.077 0.000 0.206 265 L C 2.153 179.166 176.870 0.239 0.000 1.087 265 L CA 1.923 56.863 54.840 0.168 0.000 0.767 265 L CB -2.077 40.118 42.059 0.227 0.000 0.917 265 L HN 0.034 8.264 8.230 -0.000 0.000 0.441 266 T N -0.435 114.213 114.554 0.156 0.000 2.665 266 T HA -0.265 4.131 4.350 0.077 0.000 0.268 266 T C 2.057 176.837 174.700 0.132 0.000 1.035 266 T CA 1.843 64.023 62.100 0.133 0.000 1.151 266 T CB -0.108 68.799 68.868 0.066 0.000 0.862 266 T HN 0.096 8.336 8.240 -0.000 0.000 0.438 267 R N 1.598 122.164 120.500 0.110 0.000 2.081 267 R HA 0.100 4.487 4.340 0.077 0.000 0.235 267 R C 2.352 178.747 176.300 0.157 0.000 1.131 267 R CA 1.703 57.877 56.100 0.123 0.000 0.960 267 R CB -0.971 29.412 30.300 0.138 0.000 0.856 267 R HN 0.350 8.620 8.270 -0.000 0.000 0.436 268 A N -0.837 122.062 122.820 0.131 0.000 1.933 268 A HA -0.077 4.289 4.320 0.077 0.000 0.218 268 A C 1.973 179.451 177.584 -0.177 0.000 1.175 268 A CA 1.302 53.375 52.037 0.060 0.000 0.628 268 A CB -0.647 18.256 19.000 -0.161 0.000 0.814 268 A HN 0.413 8.563 8.150 -0.000 0.000 0.444 269 F N -1.207 118.762 119.950 0.030 0.000 2.615 269 F HA 0.067 4.640 4.527 0.076 0.000 0.297 269 F C 1.862 177.660 175.800 -0.003 0.000 1.124 269 F CA 0.508 58.505 58.000 -0.005 0.000 1.451 269 F CB -0.011 38.976 39.000 -0.023 0.000 1.103 269 F HN 0.258 8.558 8.300 -0.000 0.000 0.569 270 L N 0.345 121.643 121.223 0.124 0.000 1.994 270 L HA -0.195 4.191 4.340 0.077 0.000 0.208 270 L C 1.988 178.864 176.870 0.010 0.000 1.071 270 L CA 1.954 56.826 54.840 0.054 0.000 0.745 270 L CB -0.778 41.299 42.059 0.030 0.000 0.892 270 L HN 0.094 8.324 8.230 -0.000 0.000 0.431 271 L N -1.307 119.901 121.223 -0.026 0.000 2.093 271 L HA -0.162 4.224 4.340 0.077 0.000 0.208 271 L C 2.364 179.186 176.870 -0.080 0.000 1.085 271 L CA 1.605 56.394 54.840 -0.085 0.000 0.755 271 L CB -1.360 40.586 42.059 -0.189 0.000 0.904 271 L HN 0.315 8.545 8.230 -0.000 0.000 0.435 272 T N -0.173 114.329 114.554 -0.087 0.000 2.708 272 T HA -0.146 4.250 4.350 0.077 0.000 0.266 272 T C 1.738 176.451 174.700 0.021 0.000 1.037 272 T CA 1.481 63.542 62.100 -0.065 0.000 1.146 272 T CB -0.231 68.555 68.868 -0.136 0.000 0.865 272 T HN 0.273 8.513 8.240 -0.000 0.000 0.435 273 N N 0.831 119.567 118.700 0.060 0.000 2.104 273 N HA -0.075 4.711 4.740 0.077 0.000 0.190 273 N C 1.905 177.427 175.510 0.019 0.000 1.024 273 N CA 0.751 53.833 53.050 0.052 0.000 0.853 273 N CB -0.822 37.696 38.487 0.051 0.000 1.008 273 N HN 0.194 8.574 8.380 -0.000 0.000 0.424 274 V N 0.327 120.243 119.914 0.003 0.000 2.295 274 V HA -0.157 4.009 4.120 0.077 0.000 0.246 274 V C 2.338 178.428 176.094 -0.006 0.000 1.049 274 V CA 1.144 63.443 62.300 -0.002 0.000 1.024 274 V CB -0.475 31.342 31.823 -0.010 0.000 0.648 274 V HN 0.084 8.274 8.190 -0.000 0.000 0.447 275 V N -0.181 119.722 119.914 -0.018 0.000 2.343 275 V HA -0.265 3.902 4.120 0.077 0.000 0.247 275 V C 2.391 178.483 176.094 -0.004 0.000 1.051 275 V CA 2.087 64.376 62.300 -0.019 0.000 1.036 275 V CB -0.643 31.158 31.823 -0.037 0.000 0.654 275 V HN 0.609 8.799 8.190 -0.000 0.000 0.451 276 E N -0.049 120.155 120.200 0.007 0.000 2.072 276 E HA -0.168 4.228 4.350 0.077 0.000 0.191 276 E C 2.251 178.858 176.600 0.012 0.000 0.985 276 E CA 1.084 57.493 56.400 0.016 0.000 0.801 276 E CB -0.204 29.516 29.700 0.033 0.000 0.750 276 E HN 0.491 8.851 8.360 -0.000 0.000 0.452 277 L N 0.589 121.818 121.223 0.010 0.000 2.042 277 L HA -0.245 4.142 4.340 0.077 0.000 0.210 277 L C 2.542 179.416 176.870 0.006 0.000 1.076 277 L CA 1.185 56.029 54.840 0.006 0.000 0.749 277 L CB -0.439 41.623 42.059 0.005 0.000 0.893 277 L HN 0.171 8.401 8.230 -0.000 0.000 0.432 278 A N -0.343 122.480 122.820 0.005 0.000 1.898 278 A HA -0.197 4.169 4.320 0.077 0.000 0.216 278 A C 2.160 179.746 177.584 0.003 0.000 1.181 278 A CA 1.511 53.550 52.037 0.004 0.000 0.620 278 A CB -0.380 18.620 19.000 0.001 0.000 0.819 278 A HN 0.437 8.587 8.150 -0.000 0.000 0.442 279 E N -0.263 119.939 120.200 0.003 0.000 2.077 279 E HA -0.163 4.233 4.350 0.077 0.000 0.193 279 E C 1.997 178.600 176.600 0.005 0.000 0.989 279 E CA 1.033 57.435 56.400 0.004 0.000 0.800 279 E CB -0.170 29.534 29.700 0.006 0.000 0.746 279 E HN 0.531 8.891 8.360 -0.000 0.000 0.452 280 R N 0.755 121.259 120.500 0.006 0.000 2.357 280 R HA 0.034 4.421 4.340 0.077 0.000 0.202 280 R C 0.225 176.528 176.300 0.004 0.000 1.047 280 R CA 0.148 56.251 56.100 0.006 0.000 1.034 280 R CB -0.290 30.013 30.300 0.005 0.000 0.875 280 R HN 0.020 8.290 8.270 -0.000 0.000 0.473 281 R N 0.000 120.502 120.500 0.004 0.000 2.786 281 R HA 0.000 4.386 4.340 0.077 0.000 0.208 281 R CA 0.000 56.102 56.100 0.003 0.000 0.921 281 R CB 0.000 30.302 30.300 0.003 0.000 0.687 281 R HN 0.000 8.270 8.270 -0.000 0.000 0.535