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 2ksq_1_A DATA FIRST_RESID 2 DATA SEQUENCE GLFASKLFSN LFGNKEMRIL MVGLDGAGKT TVLYKLKLGE VITTIPTIGF DATA SEQUENCE NVECVQYCNI SFTVWDVGGQ DRIRSLWRHY YCNTEGVIFV VDSNDRSRIG DATA SEQUENCE EAREVMQRML NEDELCNAAW LVFANKQDLP EAMSAAEITE KLGLHSIRNR DATA SEQUENCE PWFIQATCAT SGEGLYEGLE WLSNCLKNST 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 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.999 3.960 0.066 0.000 0.244 2 G C 0.000 174.961 174.900 0.101 0.000 0.946 2 G CA 0.000 45.150 45.100 0.084 0.000 0.502 3 L N 1.116 122.408 121.223 0.114 0.000 2.027 3 L HA 0.102 4.503 4.340 0.102 0.000 0.206 3 L C 1.092 178.083 176.870 0.203 0.000 1.074 3 L CA 1.856 56.776 54.840 0.134 0.000 0.745 3 L CB -0.054 42.078 42.059 0.122 0.000 0.898 3 L HN -0.205 8.085 8.230 0.101 0.000 0.433 4 F N 0.072 120.032 119.950 0.018 0.000 2.128 4 F HA -0.214 4.318 4.527 0.009 0.000 0.295 4 F C 1.476 177.285 175.800 0.016 0.000 1.100 4 F CA 2.124 60.131 58.000 0.011 0.000 1.260 4 F CB -1.013 37.989 39.000 0.003 0.000 1.009 4 F HN -0.299 8.191 8.300 0.316 0.000 0.476 5 A N -1.708 121.201 122.820 0.148 0.000 1.859 5 A HA -0.336 3.995 4.320 0.018 0.000 0.217 5 A C 2.377 180.005 177.584 0.074 0.000 1.198 5 A CA 3.174 55.255 52.037 0.073 0.000 0.629 5 A CB -1.041 18.023 19.000 0.106 0.000 0.830 5 A HN 0.112 8.387 8.150 0.209 0.000 0.446 6 S N -2.316 113.450 115.700 0.109 0.000 2.402 6 S HA -0.344 4.247 4.470 0.200 0.000 0.233 6 S C 2.262 176.907 174.600 0.076 0.000 1.030 6 S CA 3.418 61.693 58.200 0.124 0.000 1.003 6 S CB -0.323 62.929 63.200 0.086 0.000 0.813 6 S HN -0.574 7.802 8.310 0.109 0.000 0.477 7 K N 2.037 122.433 120.400 -0.006 0.000 2.002 7 K HA -0.237 4.060 4.320 -0.038 0.000 0.209 7 K C 2.278 178.787 176.600 -0.150 0.000 1.048 7 K CA 2.671 58.907 56.287 -0.085 0.000 0.930 7 K CB -0.342 32.063 32.500 -0.160 0.000 0.714 7 K HN -0.820 7.321 8.250 0.002 0.111 0.438 8 L N -1.918 119.178 121.223 -0.211 0.000 2.187 8 L HA -0.334 3.840 4.340 -0.278 0.000 0.213 8 L C 2.561 179.309 176.870 -0.202 0.000 1.100 8 L CA 2.934 57.627 54.840 -0.246 0.000 0.765 8 L CB -0.501 41.395 42.059 -0.270 0.000 0.904 8 L HN -0.344 7.749 8.230 -0.229 0.000 0.437 9 F N -2.891 116.946 119.950 -0.189 0.000 2.367 9 F HA -0.219 4.201 4.527 -0.178 0.000 0.298 9 F C 1.028 176.605 175.800 -0.371 0.000 1.094 9 F CA 1.773 59.660 58.000 -0.189 0.000 1.409 9 F CB 0.078 39.027 39.000 -0.085 0.000 1.064 9 F HN -0.509 7.688 8.300 0.069 0.144 0.528 10 S N -1.412 114.185 115.700 -0.171 0.000 2.406 10 S HA -0.294 3.691 4.470 -0.809 0.000 0.228 10 S C 1.368 175.398 174.600 -0.950 0.000 1.020 10 S CA 3.507 61.377 58.200 -0.551 0.000 0.965 10 S CB 0.356 63.500 63.200 -0.093 0.000 0.798 10 S HN -0.298 7.835 8.310 -0.056 0.144 0.488 11 N N 1.886 120.298 118.700 -0.481 0.000 2.381 11 N HA -0.247 4.311 4.740 -0.302 0.000 0.182 11 N C 1.418 176.691 175.510 -0.394 0.000 1.025 11 N CA 2.310 55.142 53.050 -0.364 0.000 0.888 11 N CB -0.852 37.496 38.487 -0.233 0.000 0.965 11 N HN -0.385 7.795 8.380 -0.335 0.000 0.438 12 L N -1.244 119.704 121.223 -0.459 0.000 2.089 12 L HA -0.330 3.901 4.340 -0.181 0.000 0.213 12 L C -0.389 176.382 176.870 -0.166 0.000 1.079 12 L CA 2.555 57.235 54.840 -0.267 0.000 0.758 12 L CB 0.046 42.028 42.059 -0.130 0.000 0.891 12 L HN -0.794 6.997 8.230 -0.487 0.147 0.433 13 F N -8.333 111.632 119.950 0.026 0.000 2.837 13 F HA 0.228 4.759 4.527 0.007 0.000 0.298 13 F C -0.177 175.621 175.800 -0.005 0.000 1.161 13 F CA -2.212 55.794 58.000 0.011 0.000 1.353 13 F CB -1.092 37.919 39.000 0.017 0.000 0.951 13 F HN -0.810 6.684 8.300 -1.314 0.017 0.508 14 G N -0.042 108.778 108.800 0.033 0.000 2.371 14 G HA2 -0.004 4.011 3.960 0.092 0.000 0.205 14 G HA3 -0.004 3.969 3.960 0.022 0.000 0.205 14 G C -1.148 173.733 174.900 -0.032 0.000 1.486 14 G CA 0.345 45.466 45.100 0.035 0.000 0.553 14 G HN 0.016 8.078 8.290 -0.090 0.174 1.124 15 N N 1.591 120.244 118.700 -0.078 0.000 2.424 15 N HA -0.157 4.536 4.740 -0.078 0.000 0.257 15 N C 0.076 175.538 175.510 -0.081 0.000 1.250 15 N CA 0.716 53.716 53.050 -0.084 0.000 0.946 15 N CB 0.772 39.198 38.487 -0.101 0.000 1.175 15 N HN 0.039 8.230 8.380 -0.114 0.121 0.477 16 K N -4.385 115.957 120.400 -0.096 0.000 3.512 16 K HA -0.391 3.859 4.320 -0.116 0.000 0.309 16 K C -2.132 174.375 176.600 -0.154 0.000 1.350 16 K CA 1.972 58.193 56.287 -0.110 0.000 0.960 16 K CB -0.328 32.126 32.500 -0.078 0.000 1.290 16 K HN 0.406 8.599 8.250 -0.095 0.000 0.454 17 E N -2.850 117.256 120.200 -0.157 0.000 2.260 17 E HA 0.209 4.409 4.350 -0.249 0.000 0.266 17 E C -1.643 174.837 176.600 -0.200 0.000 0.887 17 E CA -1.025 55.267 56.400 -0.181 0.000 0.777 17 E CB 2.586 32.237 29.700 -0.081 0.000 1.205 17 E HN -0.535 7.678 8.360 -0.125 0.072 0.414 18 M N 3.128 122.536 119.600 -0.321 0.000 2.456 18 M HA 0.236 4.645 4.480 -0.119 0.000 0.324 18 M C -1.317 174.948 176.300 -0.058 0.000 1.124 18 M CA -0.710 54.468 55.300 -0.202 0.000 0.959 18 M CB 3.969 36.409 32.600 -0.267 0.000 1.692 18 M HN -0.219 7.785 8.290 -0.477 0.000 0.444 19 R N 1.951 122.448 120.500 -0.006 0.000 2.346 19 R HA 0.221 4.598 4.340 0.061 0.000 0.311 19 R C -1.621 174.692 176.300 0.022 0.000 0.983 19 R CA -1.364 54.745 56.100 0.016 0.000 0.880 19 R CB 0.945 31.220 30.300 -0.042 0.000 1.100 19 R HN 0.439 8.696 8.270 -0.022 0.000 0.453 20 I N 1.375 121.982 120.570 0.061 0.000 2.892 20 I HA 0.996 5.362 4.170 -0.044 -0.223 0.306 20 I C -1.209 174.893 176.117 -0.025 0.000 1.078 20 I CA -3.154 58.153 61.300 0.012 0.000 1.032 20 I CB 3.399 41.430 38.000 0.052 0.000 1.229 20 I HN 0.894 9.077 8.210 0.121 0.100 0.435 21 L N 2.231 123.380 121.223 -0.124 0.000 2.401 21 L HA 0.468 4.871 4.340 -0.065 -0.102 0.266 21 L C -2.102 174.684 176.870 -0.140 0.000 0.991 21 L CA -1.127 53.605 54.840 -0.179 0.000 0.818 21 L CB 4.515 46.301 42.059 -0.456 0.000 1.321 21 L HN 0.459 8.603 8.230 -0.143 0.000 0.413 22 M N 3.364 122.917 119.600 -0.077 0.000 2.093 22 M HA 0.538 5.150 4.480 -0.074 -0.176 0.297 22 M C -1.561 174.732 176.300 -0.012 0.000 0.938 22 M CA -0.800 54.467 55.300 -0.056 0.000 0.920 22 M CB 1.274 33.842 32.600 -0.053 0.000 1.517 22 M HN 0.903 9.083 8.290 -0.022 0.097 0.427 23 V N -2.872 117.022 119.914 -0.033 0.000 3.130 23 V HA 0.734 4.949 4.120 0.158 0.000 0.308 23 V C -1.769 174.315 176.094 -0.018 0.000 1.413 23 V CA -3.397 58.921 62.300 0.031 0.000 1.053 23 V CB 3.213 34.916 31.823 -0.199 0.000 1.075 23 V HN 0.094 8.259 8.190 -0.042 0.000 0.465 24 G N -1.854 107.062 108.800 0.194 0.000 2.350 24 G HA2 -0.104 4.066 3.960 0.351 0.000 0.085 24 G HA3 -0.104 3.431 3.960 -0.708 0.000 0.085 24 G C -1.968 173.074 174.900 0.238 0.000 1.159 24 G CA 0.391 45.485 45.100 -0.010 0.000 1.146 24 G HN -0.221 8.417 8.290 0.579 0.000 0.449 25 L N 0.609 121.825 121.223 -0.012 0.000 2.421 25 L HA 0.174 4.604 4.340 0.151 0.000 0.263 25 L C 0.725 177.638 176.870 0.070 0.000 1.122 25 L CA -1.219 53.666 54.840 0.075 0.000 0.804 25 L CB 1.467 43.545 42.059 0.033 0.000 1.150 25 L HN -0.132 7.941 8.230 -0.262 0.000 0.457 26 D N 0.670 121.112 120.400 0.070 0.000 2.363 26 D HA -0.171 4.514 4.640 0.074 0.000 0.226 26 D C -0.023 176.302 176.300 0.041 0.000 1.020 26 D CA 1.473 55.508 54.000 0.058 0.000 0.892 26 D CB 0.267 41.092 40.800 0.043 0.000 0.900 26 D HN 0.553 8.965 8.370 0.070 0.000 0.531 27 G N -4.347 104.472 108.800 0.032 0.000 3.342 27 G HA2 0.227 4.204 3.960 0.028 0.000 0.252 27 G HA3 0.227 4.202 3.960 0.026 0.000 0.252 27 G C -0.816 174.093 174.900 0.016 0.000 1.011 27 G CA -0.893 44.222 45.100 0.025 0.000 0.869 27 G HN -0.165 8.067 8.290 0.031 0.077 0.514 28 A N 0.384 123.203 122.820 -0.001 0.000 1.858 28 A HA -0.046 4.387 4.320 -0.010 -0.119 0.216 28 A C -0.011 177.572 177.584 -0.001 0.000 1.190 28 A CA 1.303 53.328 52.037 -0.020 0.000 0.617 28 A CB 0.915 19.863 19.000 -0.087 0.000 0.827 28 A HN -0.925 7.223 8.150 -0.003 0.000 0.443 29 G N -4.215 104.588 108.800 0.005 0.000 2.188 29 G HA2 -0.298 3.681 3.960 0.032 0.000 0.112 29 G HA3 -0.298 3.678 3.960 0.027 0.000 0.112 29 G C 0.333 175.241 174.900 0.012 0.000 1.048 29 G CA -0.267 44.846 45.100 0.021 0.000 0.720 29 G HN -0.106 8.184 8.290 0.001 0.000 0.487 30 K N -0.875 119.523 120.400 -0.004 0.000 2.103 30 K HA -0.313 3.987 4.320 -0.034 0.000 0.207 30 K C 0.854 177.426 176.600 -0.046 0.000 1.048 30 K CA 2.979 59.252 56.287 -0.024 0.000 0.930 30 K CB -0.636 31.858 32.500 -0.010 0.000 0.716 30 K HN 0.235 8.484 8.250 -0.001 0.000 0.444 31 T N 0.507 115.048 114.554 -0.022 0.000 2.857 31 T HA -0.162 4.162 4.350 -0.215 -0.104 0.266 31 T C 1.593 176.307 174.700 0.023 0.000 1.048 31 T CA 4.441 66.506 62.100 -0.059 0.000 1.139 31 T CB -0.497 68.405 68.868 0.058 0.000 0.874 31 T HN 0.184 8.417 8.240 0.012 0.014 0.455 32 T N 4.101 118.701 114.554 0.077 0.000 2.708 32 T HA -0.243 4.217 4.350 0.184 0.000 0.266 32 T C 2.176 176.928 174.700 0.087 0.000 1.037 32 T CA 4.421 66.589 62.100 0.114 0.000 1.146 32 T CB -0.183 68.733 68.868 0.079 0.000 0.865 32 T HN -0.194 7.989 8.240 0.056 0.091 0.435 33 V N 2.640 122.575 119.914 0.036 0.000 2.270 33 V HA -0.496 3.653 4.120 0.049 0.000 0.245 33 V C 1.522 177.599 176.094 -0.027 0.000 1.043 33 V CA 4.537 66.849 62.300 0.019 0.000 1.014 33 V CB -0.337 31.493 31.823 0.013 0.000 0.645 33 V HN -0.490 7.714 8.190 0.024 0.000 0.447 34 L N -0.718 120.443 121.223 -0.102 0.000 2.081 34 L HA -0.429 3.821 4.340 -0.150 0.000 0.212 34 L C 2.206 178.996 176.870 -0.134 0.000 1.080 34 L CA 3.052 57.785 54.840 -0.177 0.000 0.754 34 L CB 0.001 41.883 42.059 -0.294 0.000 0.893 34 L HN -0.633 7.533 8.230 -0.106 0.000 0.433 35 Y N -3.504 116.787 120.300 -0.015 0.000 2.337 35 Y HA -0.301 4.239 4.550 -0.016 0.000 0.293 35 Y C 2.188 178.085 175.900 -0.005 0.000 1.123 35 Y CA 2.792 60.886 58.100 -0.011 0.000 1.201 35 Y CB -0.964 37.493 38.460 -0.005 0.000 1.011 35 Y HN -0.551 7.684 8.280 -0.048 0.016 0.545 36 K N 0.674 121.163 120.400 0.148 0.000 2.025 36 K HA -0.266 4.252 4.320 0.099 -0.139 0.207 36 K C 1.652 178.289 176.600 0.062 0.000 1.049 36 K CA 2.291 58.635 56.287 0.095 0.000 0.933 36 K CB -0.780 31.768 32.500 0.080 0.000 0.714 36 K HN -0.679 7.548 8.250 0.131 0.102 0.438 37 L N -2.765 118.468 121.223 0.017 0.000 2.156 37 L HA -0.133 4.197 4.340 -0.016 0.000 0.208 37 L C 1.796 178.653 176.870 -0.023 0.000 1.095 37 L CA 2.999 57.816 54.840 -0.039 0.000 0.770 37 L CB 0.136 42.113 42.059 -0.137 0.000 0.914 37 L HN -0.062 8.171 8.230 0.006 0.000 0.439 38 K N -1.431 118.975 120.400 0.012 0.000 2.098 38 K HA -0.146 4.191 4.320 0.028 0.000 0.203 38 K C 1.284 177.931 176.600 0.079 0.000 1.051 38 K CA 2.339 58.651 56.287 0.042 0.000 0.957 38 K CB 0.736 33.262 32.500 0.042 0.000 0.738 38 K HN -0.475 7.768 8.250 0.018 0.018 0.447 39 L N -3.841 117.443 121.223 0.101 0.000 2.590 39 L HA 0.132 4.514 4.340 0.070 0.000 0.227 39 L C 0.475 177.383 176.870 0.063 0.000 1.099 39 L CA -0.001 54.888 54.840 0.082 0.000 0.872 39 L CB 1.602 43.709 42.059 0.080 0.000 1.088 39 L HN 0.023 8.197 8.230 0.123 0.130 0.479 40 G N -1.320 107.521 108.800 0.069 0.000 2.184 40 G HA2 -0.473 3.618 3.960 0.072 0.000 0.264 40 G HA3 -0.473 3.524 3.960 0.061 0.000 0.264 40 G C -1.608 173.324 174.900 0.054 0.000 0.975 40 G CA 0.378 45.516 45.100 0.064 0.000 0.642 40 G HN -0.073 8.159 8.290 0.074 0.102 0.536 41 E N -1.288 118.942 120.200 0.050 0.000 2.340 41 E HA 0.327 4.700 4.350 0.039 0.000 0.273 41 E C -2.300 174.323 176.600 0.038 0.000 0.891 41 E CA -1.993 54.429 56.400 0.036 0.000 0.757 41 E CB 3.201 32.910 29.700 0.016 0.000 1.231 41 E HN -0.628 7.680 8.360 0.056 0.086 0.439 42 V N 2.509 122.443 119.914 0.034 0.000 2.530 42 V HA -0.012 4.145 4.120 0.061 0.000 0.282 42 V C 0.093 176.190 176.094 0.005 0.000 1.048 42 V CA 0.078 62.400 62.300 0.037 0.000 0.997 42 V CB -0.147 31.700 31.823 0.040 0.000 0.987 42 V HN 0.169 8.378 8.190 0.032 0.000 0.477 43 I N 4.675 125.237 120.570 -0.013 0.000 3.264 43 I HA 0.517 4.660 4.170 -0.045 0.000 0.309 43 I C -1.054 175.042 176.117 -0.035 0.000 1.099 43 I CA -2.601 58.663 61.300 -0.059 0.000 0.989 43 I CB 2.352 40.257 38.000 -0.159 0.000 1.250 43 I HN -0.334 7.886 8.210 0.017 0.000 0.478 44 T N 0.869 115.395 114.554 -0.047 0.000 2.761 44 T HA -0.083 4.265 4.350 -0.004 0.000 0.287 44 T C -0.402 174.294 174.700 -0.007 0.000 0.931 44 T CA 0.448 62.535 62.100 -0.021 0.000 1.164 44 T CB 0.186 69.038 68.868 -0.026 0.000 0.876 44 T HN -0.047 8.154 8.240 -0.065 0.000 0.534 45 T N 6.540 121.112 114.554 0.031 0.000 2.928 45 T HA 0.171 4.577 4.350 0.093 0.000 0.284 45 T C -0.967 173.765 174.700 0.053 0.000 1.008 45 T CA -0.203 61.940 62.100 0.071 0.000 1.057 45 T CB 1.239 70.165 68.868 0.098 0.000 1.018 45 T HN 0.161 8.419 8.240 0.030 0.000 0.493 46 I N -2.069 118.540 120.570 0.064 0.000 3.102 46 I HA 0.465 4.657 4.170 0.037 0.000 0.310 46 I C -2.779 173.368 176.117 0.051 0.000 1.246 46 I CA -3.819 57.508 61.300 0.045 0.000 0.979 46 I CB 1.632 39.650 38.000 0.030 0.000 1.267 46 I HN -0.397 7.868 8.210 0.092 0.000 0.451 47 P HA 0.130 4.576 4.420 0.043 0.000 0.260 47 P C -0.832 176.490 177.300 0.038 0.000 1.207 47 P CA -0.163 62.959 63.100 0.037 0.000 0.780 47 P CB 0.262 31.977 31.700 0.025 0.000 0.789 48 T N 2.069 116.654 114.554 0.051 0.000 2.737 48 T HA 0.003 4.375 4.350 0.037 0.000 0.296 48 T C -0.313 174.408 174.700 0.035 0.000 0.922 48 T CA -0.529 61.600 62.100 0.048 0.000 1.079 48 T CB 0.356 69.266 68.868 0.070 0.000 0.892 48 T HN 0.041 8.317 8.240 0.060 0.000 0.514 49 I N 5.610 126.182 120.570 0.003 0.000 2.325 49 I HA 0.096 4.268 4.170 0.003 0.000 0.285 49 I C -0.231 175.855 176.117 -0.052 0.000 1.128 49 I CA -1.781 59.511 61.300 -0.013 0.000 1.261 49 I CB -2.887 35.099 38.000 -0.022 0.000 1.529 49 I HN 0.371 8.577 8.210 -0.006 0.000 0.557 50 G N 3.735 112.521 108.800 -0.024 0.000 2.384 50 G HA2 0.010 3.953 3.960 -0.029 0.000 0.113 50 G HA3 0.010 3.783 3.960 -0.313 0.000 0.113 50 G C -2.827 172.108 174.900 0.057 0.000 1.224 50 G CA 0.071 45.108 45.100 -0.105 0.000 1.126 50 G HN -0.645 7.623 8.290 0.038 0.045 0.461 51 F N -1.672 118.365 119.950 0.145 0.000 2.613 51 F HA 0.828 5.711 4.527 0.216 -0.226 0.314 51 F C -1.899 173.961 175.800 0.100 0.000 1.075 51 F CA -3.009 55.112 58.000 0.201 0.000 0.945 51 F CB 2.829 42.035 39.000 0.344 0.000 1.310 51 F HN -0.116 7.623 8.300 -0.935 0.000 0.467 52 N N 1.685 120.560 118.700 0.291 0.000 2.549 52 N HA 0.162 4.913 4.740 0.018 0.000 0.290 52 N C -1.857 173.534 175.510 -0.198 0.000 1.122 52 N CA -0.221 52.846 53.050 0.028 0.000 0.885 52 N CB 3.087 41.565 38.487 -0.015 0.000 1.455 52 N HN -0.020 8.541 8.380 0.351 0.030 0.521 53 V N 5.030 124.593 119.914 -0.584 0.000 2.834 53 V HA -0.008 3.567 4.120 -1.116 -0.124 0.301 53 V C -0.720 175.069 176.094 -0.507 0.000 1.066 53 V CA -0.590 61.064 62.300 -1.077 0.000 1.052 53 V CB 1.537 32.130 31.823 -2.049 0.000 1.021 53 V HN 0.273 8.155 8.190 -0.513 0.000 0.480 54 E N 7.136 127.114 120.200 -0.370 0.000 2.281 54 E HA 0.246 4.513 4.350 -0.138 0.000 0.266 54 E C -1.436 175.117 176.600 -0.079 0.000 0.893 54 E CA -1.311 54.990 56.400 -0.166 0.000 0.798 54 E CB 3.201 32.824 29.700 -0.130 0.000 1.245 54 E HN -0.386 7.728 8.360 -0.409 0.000 0.410 55 C N 4.171 123.445 119.300 -0.042 0.000 2.349 55 C HA 0.387 4.867 4.460 0.033 0.000 0.348 55 C C -1.134 173.886 174.990 0.050 0.000 1.223 55 C CA -1.939 57.087 59.018 0.013 0.000 1.746 55 C CB -1.589 26.155 27.740 0.007 0.000 2.360 55 C HN 0.566 8.764 8.230 -0.054 0.000 0.533 56 V N 5.181 125.151 119.914 0.093 0.000 2.735 56 V HA 0.356 4.540 4.120 0.108 0.000 0.310 56 V C -2.121 174.099 176.094 0.211 0.000 1.061 56 V CA -1.305 61.073 62.300 0.130 0.000 0.913 56 V CB 4.457 36.339 31.823 0.099 0.000 1.005 56 V HN 0.133 8.390 8.190 0.112 0.000 0.428 57 Q N 7.304 127.234 119.800 0.217 0.000 2.293 57 Q HA 0.483 5.177 4.340 0.241 -0.210 0.261 57 Q C -1.587 174.655 176.000 0.404 0.000 0.960 57 Q CA -1.341 54.610 55.803 0.247 0.000 0.882 57 Q CB 1.485 30.302 28.738 0.132 0.000 1.275 57 Q HN 0.163 8.543 8.270 0.182 0.000 0.445 58 Y N 5.776 126.238 120.300 0.270 0.000 2.362 58 Y HA 0.098 4.732 4.550 0.139 0.000 0.326 58 Y C -0.642 175.412 175.900 0.258 0.000 1.083 58 Y CA 0.486 58.739 58.100 0.255 0.000 1.073 58 Y CB 2.755 41.355 38.460 0.234 0.000 1.211 58 Y HN 0.779 9.233 8.280 0.475 0.110 0.433 59 C N 7.490 126.768 119.300 -0.038 0.000 4.350 59 C HA -0.348 4.051 4.460 -0.101 0.000 0.302 59 C C -0.290 174.714 174.990 0.024 0.000 1.390 59 C CA 0.678 59.686 59.018 -0.017 0.000 2.016 59 C CB -2.096 25.681 27.740 0.061 0.000 1.271 59 C HN 0.801 8.860 8.230 -0.285 0.000 0.760 60 N N -4.369 114.337 118.700 0.010 0.000 2.965 60 N HA -0.320 4.416 4.740 -0.007 0.000 0.232 60 N C -1.202 174.295 175.510 -0.020 0.000 0.913 60 N CA 1.470 54.516 53.050 -0.006 0.000 0.981 60 N CB -0.333 38.140 38.487 -0.023 0.000 1.077 60 N HN 0.515 8.888 8.380 0.002 0.009 0.589 61 I N -2.598 117.966 120.570 -0.010 0.000 2.676 61 I HA 0.093 4.382 4.170 -0.180 -0.227 0.309 61 I C -0.421 175.588 176.117 -0.180 0.000 0.990 61 I CA -0.800 60.387 61.300 -0.189 0.000 1.168 61 I CB 2.897 40.615 38.000 -0.471 0.000 1.343 61 I HN -0.245 7.800 8.210 0.084 0.215 0.482 62 S N 3.528 119.063 115.700 -0.274 0.000 2.567 62 S HA 0.375 4.974 4.470 0.002 -0.128 0.262 62 S C -0.706 173.783 174.600 -0.185 0.000 1.237 62 S CA -0.464 57.661 58.200 -0.126 0.000 1.093 62 S CB 0.123 63.288 63.200 -0.058 0.000 1.095 62 S HN -0.022 8.095 8.310 -0.322 0.000 0.489 63 F N 5.547 125.525 119.950 0.047 0.000 2.445 63 F HA 0.202 4.980 4.527 0.028 -0.234 0.359 63 F C 0.019 175.839 175.800 0.033 0.000 1.101 63 F CA -0.434 57.584 58.000 0.029 0.000 1.177 63 F CB 0.664 39.667 39.000 0.003 0.000 1.110 63 F HN 0.262 8.717 8.300 0.259 0.000 0.522 64 T N 6.436 121.113 114.554 0.205 0.000 2.753 64 T HA 0.496 5.115 4.350 0.147 -0.181 0.297 64 T C -0.656 174.196 174.700 0.253 0.000 0.981 64 T CA -0.780 61.447 62.100 0.211 0.000 0.956 64 T CB 0.347 69.388 68.868 0.288 0.000 0.936 64 T HN 0.333 8.681 8.240 0.179 0.000 0.463 65 V N 0.872 120.876 119.914 0.150 0.000 2.313 65 V HA 0.434 4.739 4.120 0.158 -0.090 0.278 65 V C -1.264 174.891 176.094 0.102 0.000 1.017 65 V CA -2.647 59.722 62.300 0.116 0.000 0.823 65 V CB 0.678 32.493 31.823 -0.013 0.000 1.010 65 V HN 0.038 8.267 8.190 0.064 0.000 0.443 66 W N 6.863 128.126 121.300 -0.061 0.000 2.361 66 W HA 0.139 5.011 4.660 0.011 -0.206 0.309 66 W C -1.089 175.429 176.519 -0.003 0.000 1.122 66 W CA -1.470 55.867 57.345 -0.013 0.000 1.208 66 W CB 1.316 30.775 29.460 -0.001 0.000 1.246 66 W HN -0.103 8.351 8.180 0.457 0.000 0.490 67 D N 3.849 124.360 120.400 0.186 0.000 2.454 67 D HA 0.664 5.635 4.640 0.128 -0.255 0.225 67 D C -0.529 175.938 176.300 0.278 0.000 1.081 67 D CA -1.972 52.114 54.000 0.144 0.000 0.864 67 D CB 1.517 42.309 40.800 -0.014 0.000 1.040 67 D HN 0.809 9.120 8.370 0.116 0.129 0.517 68 V N 6.828 126.973 119.914 0.385 0.000 2.539 68 V HA 0.590 5.218 4.120 0.487 -0.215 0.292 68 V C 0.415 176.789 176.094 0.466 0.000 1.045 68 V CA -2.174 60.439 62.300 0.522 0.000 0.945 68 V CB 1.308 33.602 31.823 0.785 0.000 0.993 68 V HN -0.164 8.229 8.190 0.339 0.000 0.464 69 G N 3.586 112.589 108.800 0.338 0.000 2.265 69 G HA2 -0.194 3.880 3.960 0.189 0.000 0.240 69 G HA3 -0.194 3.923 3.960 0.138 -0.074 0.240 69 G C -0.123 174.951 174.900 0.290 0.000 1.270 69 G CA 0.839 46.076 45.100 0.228 0.000 0.901 69 G HN 0.399 8.871 8.290 0.303 0.000 0.507 70 G N 0.554 109.510 108.800 0.259 0.000 2.880 70 G HA2 -0.169 4.178 3.960 0.659 0.000 0.209 70 G HA3 -0.169 4.036 3.960 0.311 -0.058 0.209 70 G C -0.228 174.718 174.900 0.076 0.000 1.157 70 G CA -0.441 44.853 45.100 0.324 0.000 0.779 70 G HN 0.517 8.922 8.290 0.193 0.000 0.539 71 Q N -0.323 119.482 119.800 0.009 0.000 2.540 71 Q HA -0.207 4.128 4.340 -0.008 0.000 0.256 71 Q C 0.420 176.337 176.000 -0.138 0.000 1.084 71 Q CA 1.091 56.870 55.803 -0.040 0.000 0.956 71 Q CB 0.710 29.432 28.738 -0.027 0.000 1.303 71 Q HN -0.432 7.811 8.270 0.040 0.050 0.509 72 D N 0.846 121.186 120.400 -0.100 0.000 2.084 72 D HA -0.301 4.241 4.640 -0.164 0.000 0.194 72 D C 1.773 177.979 176.300 -0.157 0.000 0.990 72 D CA 4.211 58.135 54.000 -0.127 0.000 0.826 72 D CB -0.129 40.632 40.800 -0.065 0.000 0.971 72 D HN 0.344 8.680 8.370 -0.056 0.000 0.453 73 R N -2.497 117.938 120.500 -0.108 0.000 2.159 73 R HA -0.202 4.087 4.340 -0.085 0.000 0.237 73 R C 1.946 178.167 176.300 -0.131 0.000 1.131 73 R CA 2.278 58.321 56.100 -0.095 0.000 0.982 73 R CB -0.621 29.645 30.300 -0.056 0.000 0.868 73 R HN -0.463 7.918 8.270 -0.080 -0.160 0.453 74 I N -3.954 116.504 120.570 -0.186 0.000 3.030 74 I HA -0.038 4.050 4.170 -0.136 0.000 0.270 74 I C 1.170 176.968 176.117 -0.531 0.000 1.211 74 I CA -0.082 61.076 61.300 -0.237 0.000 1.479 74 I CB -0.921 36.986 38.000 -0.154 0.000 1.105 74 I HN -0.908 7.037 8.210 -0.178 0.159 0.447 75 R N 0.145 120.231 120.500 -0.690 0.000 2.140 75 R HA -0.491 2.605 4.340 -2.072 0.000 0.250 75 R C 2.805 178.789 176.300 -0.526 0.000 1.150 75 R CA 3.928 59.435 56.100 -0.988 0.000 0.966 75 R CB -0.692 29.278 30.300 -0.549 0.000 0.869 75 R HN -0.347 7.498 8.270 -0.496 0.127 0.445 76 S N -1.419 114.119 115.700 -0.271 0.000 2.383 76 S HA -0.254 4.173 4.470 -0.072 0.000 0.227 76 S C 1.528 176.088 174.600 -0.066 0.000 1.026 76 S CA 2.795 60.927 58.200 -0.113 0.000 0.981 76 S CB -0.268 62.889 63.200 -0.072 0.000 0.818 76 S HN -0.204 7.939 8.310 -0.257 0.012 0.472 77 L N 0.710 121.887 121.223 -0.077 0.000 2.349 77 L HA -0.197 4.202 4.340 0.098 0.000 0.220 77 L C 1.580 178.482 176.870 0.054 0.000 1.130 77 L CA 2.638 57.507 54.840 0.048 0.000 0.791 77 L CB -0.777 41.346 42.059 0.106 0.000 0.918 77 L HN -0.125 7.920 8.230 -0.145 0.098 0.444 78 W N -2.069 119.121 121.300 -0.183 0.000 2.424 78 W HA -0.268 3.858 4.660 -0.891 0.000 0.264 78 W C 1.209 177.182 176.519 -0.910 0.000 1.229 78 W CA 1.713 58.694 57.345 -0.607 0.000 1.208 78 W CB -1.292 28.075 29.460 -0.156 0.000 1.127 78 W HN -0.625 7.351 8.180 -0.062 0.166 0.588 79 R N -5.344 115.050 120.500 -0.178 0.000 2.363 79 R HA -0.056 4.189 4.340 -0.159 0.000 0.236 79 R C 0.203 176.418 176.300 -0.143 0.000 0.966 79 R CA 0.519 56.529 56.100 -0.150 0.000 1.100 79 R CB -1.278 28.986 30.300 -0.060 0.000 1.125 79 R HN -0.693 7.492 8.270 -0.051 0.054 0.514 80 H N -1.237 117.687 119.070 -0.243 0.000 2.581 80 H HA 0.207 4.699 4.556 -0.107 0.000 0.275 80 H C -0.325 174.933 175.328 -0.116 0.000 1.126 80 H CA -1.577 54.395 56.048 -0.127 0.000 1.097 80 H CB 0.886 30.635 29.762 -0.022 0.000 1.626 80 H HN -0.211 7.838 8.280 -0.220 0.100 0.565 81 Y N 0.305 120.650 120.300 0.075 0.000 2.365 81 Y HA -0.393 4.046 4.550 -0.186 0.000 0.287 81 Y C -0.343 175.460 175.900 -0.163 0.000 1.162 81 Y CA 1.381 59.413 58.100 -0.113 0.000 1.260 81 Y CB -0.181 38.208 38.460 -0.118 0.000 0.976 81 Y HN -0.860 7.189 8.280 -0.277 0.064 0.548 82 Y N -6.186 114.090 120.300 -0.040 0.000 4.545 82 Y HA -0.256 4.276 4.550 -0.031 0.000 0.244 82 Y C -0.862 174.966 175.900 -0.120 0.000 1.121 82 Y CA -0.172 57.867 58.100 -0.102 0.000 2.110 82 Y CB -1.336 36.988 38.460 -0.227 0.000 1.623 82 Y HN -0.276 8.022 8.280 0.109 0.048 0.711 83 C N -2.591 116.712 119.300 0.005 0.000 1.681 83 C HA -0.301 4.150 4.460 -0.016 0.000 0.189 83 C C -0.684 174.286 174.990 -0.034 0.000 0.949 83 C CA -0.070 58.934 59.018 -0.024 0.000 3.277 83 C CB -1.484 26.226 27.740 -0.050 0.000 1.871 83 C HN 0.169 8.391 8.230 0.036 0.029 0.206 84 N N -0.724 117.924 118.700 -0.087 0.000 2.251 84 N HA -0.090 4.612 4.740 -0.063 0.000 0.323 84 N C -1.357 174.071 175.510 -0.137 0.000 0.966 84 N CA 0.011 53.001 53.050 -0.101 0.000 0.656 84 N CB 0.269 38.687 38.487 -0.115 0.000 2.147 84 N HN 0.094 8.412 8.380 -0.104 0.000 0.877 85 T N -2.106 112.327 114.554 -0.203 0.000 2.831 85 T HA -0.235 4.009 4.350 -0.178 0.000 0.291 85 T C -0.379 174.212 174.700 -0.181 0.000 0.981 85 T CA 0.580 62.549 62.100 -0.219 0.000 1.174 85 T CB 0.437 69.102 68.868 -0.340 0.000 0.929 85 T HN -0.532 7.571 8.240 -0.228 0.000 0.532 86 E N 6.122 126.245 120.200 -0.129 0.000 2.250 86 E HA 0.041 4.318 4.350 -0.120 0.000 0.192 86 E C 0.053 176.567 176.600 -0.144 0.000 0.986 86 E CA 0.977 57.311 56.400 -0.111 0.000 0.849 86 E CB 1.218 30.885 29.700 -0.055 0.000 0.797 86 E HN 0.453 8.607 8.360 -0.096 0.149 0.482 87 G N -3.349 105.363 108.800 -0.147 0.000 2.719 87 G HA2 0.340 4.253 3.960 -0.239 0.000 0.298 87 G HA3 0.340 4.244 3.960 -0.093 0.000 0.298 87 G C -3.200 171.573 174.900 -0.212 0.000 1.411 87 G CA -0.370 44.627 45.100 -0.172 0.000 0.991 87 G HN -0.324 7.892 8.290 -0.124 0.000 0.509 88 V N 2.335 122.082 119.914 -0.278 0.000 2.850 88 V HA 0.442 4.559 4.120 -0.239 -0.140 0.315 88 V C -1.033 175.014 176.094 -0.077 0.000 1.064 88 V CA -1.938 60.218 62.300 -0.240 0.000 0.979 88 V CB 2.736 34.343 31.823 -0.360 0.000 1.039 88 V HN 0.252 8.097 8.190 -0.337 0.143 0.452 89 I N 2.541 123.084 120.570 -0.045 0.000 2.437 89 I HA 0.390 4.792 4.170 0.043 -0.207 0.279 89 I C -1.387 174.797 176.117 0.112 0.000 1.028 89 I CA -1.281 60.019 61.300 0.001 0.000 1.142 89 I CB 1.058 38.977 38.000 -0.136 0.000 1.266 89 I HN 0.841 8.902 8.210 -0.088 0.097 0.461 90 F N 9.261 129.266 119.950 0.092 0.000 2.424 90 F HA 0.564 5.366 4.527 0.083 -0.225 0.356 90 F C -1.492 174.393 175.800 0.143 0.000 1.110 90 F CA -1.836 56.241 58.000 0.129 0.000 1.161 90 F CB 2.311 41.435 39.000 0.208 0.000 1.115 90 F HN 0.855 9.283 8.300 0.403 0.114 0.507 91 V N 9.299 129.000 119.914 -0.354 0.000 2.364 91 V HA 0.097 4.377 4.120 0.004 -0.158 0.272 91 V C -1.509 174.400 176.094 -0.309 0.000 1.036 91 V CA 0.007 62.191 62.300 -0.194 0.000 0.880 91 V CB 0.492 32.243 31.823 -0.120 0.000 0.991 91 V HN -0.055 7.812 8.190 -0.537 0.000 0.460 92 V N 7.552 127.428 119.914 -0.063 0.000 2.444 92 V HA 0.168 4.252 4.120 -0.059 0.000 0.294 92 V C -1.267 174.842 176.094 0.025 0.000 1.022 92 V CA -2.443 59.860 62.300 0.006 0.000 0.850 92 V CB 2.040 33.966 31.823 0.171 0.000 0.992 92 V HN -0.310 7.902 8.190 0.037 0.000 0.426 93 D N 7.667 128.077 120.400 0.017 0.000 2.450 93 D HA -0.108 4.540 4.640 0.014 0.000 0.247 93 D C 0.070 176.384 176.300 0.023 0.000 1.162 93 D CA 1.705 55.716 54.000 0.019 0.000 0.879 93 D CB 0.864 41.676 40.800 0.020 0.000 1.163 93 D HN 0.491 8.867 8.370 0.010 0.000 0.472 94 S N 5.070 120.777 115.700 0.011 0.000 2.421 94 S HA -0.083 4.391 4.470 0.008 0.000 0.224 94 S C 0.942 175.545 174.600 0.005 0.000 1.035 94 S CA 2.350 60.552 58.200 0.003 0.000 0.953 94 S CB 0.890 64.080 63.200 -0.015 0.000 0.810 94 S HN 0.469 8.784 8.310 0.008 0.000 0.497 95 N N 0.319 119.022 118.700 0.006 0.000 2.461 95 N HA -0.114 4.628 4.740 0.004 0.000 0.188 95 N C -0.825 174.693 175.510 0.012 0.000 1.134 95 N CA 1.469 54.523 53.050 0.007 0.000 0.878 95 N CB 0.785 39.275 38.487 0.006 0.000 0.972 95 N HN -0.512 7.872 8.380 0.006 0.000 0.456 96 D N -0.353 120.057 120.400 0.017 0.000 2.514 96 D HA 0.133 4.784 4.640 0.019 0.000 0.267 96 D C -0.430 175.886 176.300 0.027 0.000 1.165 96 D CA -1.564 52.449 54.000 0.021 0.000 0.958 96 D CB -0.133 40.682 40.800 0.025 0.000 0.992 96 D HN -0.497 7.856 8.370 0.018 0.027 0.506 97 R N 2.704 123.218 120.500 0.022 0.000 2.148 97 R HA -0.222 4.135 4.340 0.029 0.000 0.227 97 R C 1.025 177.342 176.300 0.028 0.000 1.103 97 R CA 1.691 57.806 56.100 0.025 0.000 0.983 97 R CB -0.747 29.564 30.300 0.018 0.000 0.874 97 R HN -0.430 7.851 8.270 0.018 0.000 0.451 98 S N -0.886 114.829 115.700 0.025 0.000 2.359 98 S HA -0.174 4.310 4.470 0.023 0.000 0.224 98 S C 1.560 176.180 174.600 0.033 0.000 1.035 98 S CA 2.598 60.813 58.200 0.026 0.000 1.018 98 S CB -0.321 62.892 63.200 0.022 0.000 0.876 98 S HN 0.030 8.328 8.310 0.022 0.026 0.448 99 R N -1.875 118.649 120.500 0.039 0.000 2.334 99 R HA 0.170 4.539 4.340 0.048 0.000 0.216 99 R C 0.905 177.245 176.300 0.067 0.000 0.905 99 R CA -0.543 55.588 56.100 0.051 0.000 1.064 99 R CB -0.097 30.233 30.300 0.050 0.000 1.046 99 R HN -0.610 7.918 8.270 0.036 -0.236 0.508 100 I N -1.035 119.572 120.570 0.062 0.000 2.462 100 I HA -0.351 3.873 4.170 0.090 0.000 0.259 100 I C 1.674 177.846 176.117 0.091 0.000 1.156 100 I CA 2.693 64.038 61.300 0.076 0.000 1.417 100 I CB -0.615 37.419 38.000 0.057 0.000 1.088 100 I HN -0.904 7.147 8.210 0.049 0.189 0.442 101 G N -2.715 106.130 108.800 0.075 0.000 2.453 101 G HA2 -0.244 3.760 3.960 0.074 0.000 0.215 101 G HA3 -0.244 3.749 3.960 0.055 0.000 0.215 101 G C 0.863 175.816 174.900 0.088 0.000 1.147 101 G CA 1.293 46.436 45.100 0.072 0.000 0.802 101 G HN 0.143 8.420 8.290 0.063 0.050 0.535 102 E N 3.902 124.158 120.200 0.094 0.000 2.031 102 E HA -0.342 4.064 4.350 0.093 0.000 0.193 102 E C 1.993 178.700 176.600 0.178 0.000 0.994 102 E CA 2.695 59.162 56.400 0.111 0.000 0.800 102 E CB -0.510 29.247 29.700 0.095 0.000 0.752 102 E HN 0.039 8.337 8.360 0.082 0.112 0.447 103 A N -1.184 121.766 122.820 0.217 0.000 1.883 103 A HA -0.414 4.185 4.320 0.465 0.000 0.217 103 A C 1.731 179.562 177.584 0.413 0.000 1.186 103 A CA 3.766 56.035 52.037 0.387 0.000 0.624 103 A CB -0.726 18.470 19.000 0.327 0.000 0.822 103 A HN -0.381 7.869 8.150 0.168 0.000 0.444 104 R N -1.435 119.204 120.500 0.231 0.000 2.073 104 R HA -0.324 4.075 4.340 0.099 0.000 0.234 104 R C 2.128 178.436 176.300 0.013 0.000 1.134 104 R CA 2.899 59.065 56.100 0.110 0.000 0.952 104 R CB -0.310 30.047 30.300 0.096 0.000 0.850 104 R HN -0.593 7.797 8.270 0.200 0.000 0.433 105 E N -0.837 119.394 120.200 0.052 0.000 2.150 105 E HA -0.229 4.105 4.350 -0.027 0.000 0.193 105 E C 2.546 179.170 176.600 0.039 0.000 0.985 105 E CA 2.707 59.119 56.400 0.020 0.000 0.814 105 E CB -0.016 29.707 29.700 0.038 0.000 0.752 105 E HN 0.099 8.402 8.360 0.086 0.109 0.466 106 V N -0.610 119.387 119.914 0.140 0.000 2.307 106 V HA -0.482 3.766 4.120 0.214 0.000 0.245 106 V C 1.926 178.109 176.094 0.148 0.000 1.045 106 V CA 4.686 67.135 62.300 0.248 0.000 1.024 106 V CB -0.277 31.819 31.823 0.455 0.000 0.651 106 V HN 0.248 8.346 8.190 0.185 0.203 0.449 107 M N -2.259 117.252 119.600 -0.148 0.000 2.149 107 M HA -0.505 3.653 4.480 -0.536 0.000 0.261 107 M C 1.840 177.858 176.300 -0.471 0.000 1.064 107 M CA 3.859 58.771 55.300 -0.645 0.000 1.102 107 M CB -0.954 30.811 32.600 -1.393 0.000 1.369 107 M HN -0.168 8.080 8.290 -0.069 0.000 0.408 108 Q N -0.126 119.459 119.800 -0.359 0.000 2.096 108 Q HA -0.388 3.657 4.340 -0.493 0.000 0.204 108 Q C 2.372 178.241 176.000 -0.219 0.000 0.982 108 Q CA 3.756 59.357 55.803 -0.337 0.000 0.850 108 Q CB -0.351 28.250 28.738 -0.228 0.000 0.901 108 Q HN -0.297 7.794 8.270 -0.282 0.010 0.422 109 R N -2.007 118.444 120.500 -0.080 0.000 2.081 109 R HA -0.304 4.027 4.340 -0.015 0.000 0.235 109 R C 2.284 178.612 176.300 0.046 0.000 1.131 109 R CA 2.855 58.963 56.100 0.014 0.000 0.960 109 R CB -0.326 30.038 30.300 0.107 0.000 0.856 109 R HN -0.684 7.461 8.270 -0.049 0.095 0.436 110 M N -2.758 116.881 119.600 0.064 0.000 2.175 110 M HA -0.219 4.402 4.480 0.235 0.000 0.264 110 M C 2.929 179.260 176.300 0.051 0.000 1.063 110 M CA 3.395 58.777 55.300 0.136 0.000 1.119 110 M CB 0.426 33.109 32.600 0.139 0.000 1.377 110 M HN -0.679 7.553 8.290 0.040 0.082 0.415 111 L N -1.163 119.847 121.223 -0.356 0.000 2.291 111 L HA -0.206 3.484 4.340 -1.083 0.000 0.214 111 L C 0.422 177.063 176.870 -0.381 0.000 1.120 111 L CA 2.486 56.849 54.840 -0.795 0.000 0.799 111 L CB 0.262 41.584 42.059 -1.229 0.000 0.925 111 L HN 0.455 8.252 8.230 -0.404 0.190 0.446 112 N N -4.149 114.425 118.700 -0.210 0.000 2.336 112 N HA -0.033 4.622 4.740 -0.141 0.000 0.189 112 N C -0.733 174.765 175.510 -0.020 0.000 1.113 112 N CA 0.407 53.387 53.050 -0.116 0.000 0.858 112 N CB 0.824 39.249 38.487 -0.104 0.000 0.970 112 N HN -0.381 7.742 8.380 -0.190 0.143 0.471 113 E N 0.028 120.252 120.200 0.041 0.000 2.289 113 E HA -0.042 4.342 4.350 0.057 0.000 0.278 113 E C 1.038 177.695 176.600 0.095 0.000 1.032 113 E CA -0.497 55.953 56.400 0.084 0.000 0.854 113 E CB 0.945 30.727 29.700 0.136 0.000 1.046 113 E HN -0.903 7.306 8.360 0.047 0.179 0.409 114 D N 8.077 128.514 120.400 0.063 0.000 2.178 114 D HA -0.283 4.393 4.640 0.060 0.000 0.202 114 D C 1.400 177.737 176.300 0.062 0.000 0.974 114 D CA 3.131 57.164 54.000 0.055 0.000 0.841 114 D CB -0.557 40.262 40.800 0.031 0.000 0.953 114 D HN 0.577 8.975 8.370 0.048 0.000 0.478 115 E N -2.147 118.092 120.200 0.064 0.000 2.418 115 E HA -0.149 4.221 4.350 0.034 0.000 0.197 115 E C -0.537 176.111 176.600 0.080 0.000 1.026 115 E CA 1.151 57.585 56.400 0.057 0.000 0.862 115 E CB -0.059 29.670 29.700 0.048 0.000 0.799 115 E HN 0.040 8.419 8.360 0.065 0.020 0.518 116 L N -2.380 118.920 121.223 0.129 0.000 3.229 116 L HA 0.354 4.725 4.340 0.051 0.000 0.286 116 L C 0.206 177.205 176.870 0.215 0.000 1.239 116 L CA -1.356 53.572 54.840 0.147 0.000 1.035 116 L CB 0.655 42.868 42.059 0.258 0.000 1.408 116 L HN -0.452 7.671 8.230 0.143 0.192 0.593 117 C N -2.142 117.274 119.300 0.192 0.000 2.539 117 C HA -0.034 4.733 4.460 0.513 0.000 0.271 117 C C 0.025 175.089 174.990 0.124 0.000 1.412 117 C CA 0.605 59.774 59.018 0.251 0.000 1.729 117 C CB -1.261 26.567 27.740 0.146 0.000 1.739 117 C HN -0.797 7.407 8.230 0.130 0.103 0.570 118 N N -1.717 116.978 118.700 -0.009 0.000 2.197 118 N HA 0.059 4.781 4.740 -0.029 0.000 0.201 118 N C -0.831 174.554 175.510 -0.207 0.000 1.148 118 N CA -0.322 52.686 53.050 -0.070 0.000 0.883 118 N CB 1.025 39.484 38.487 -0.046 0.000 1.012 118 N HN -0.241 8.052 8.380 -0.016 0.077 0.507 119 A N -0.903 121.673 122.820 -0.407 0.000 2.295 119 A HA 0.169 4.253 4.320 -0.393 0.000 0.318 119 A C -1.291 175.673 177.584 -1.032 0.000 1.134 119 A CA -1.079 50.599 52.037 -0.598 0.000 0.827 119 A CB 1.965 20.622 19.000 -0.572 0.000 1.136 119 A HN -0.875 6.939 8.150 -0.378 0.109 0.493 120 A N 0.266 122.674 122.820 -0.687 0.000 2.267 120 A HA -0.074 4.031 4.320 -0.359 0.000 0.271 120 A C -0.934 176.231 177.584 -0.697 0.000 1.131 120 A CA -0.804 50.932 52.037 -0.501 0.000 0.818 120 A CB 1.681 20.580 19.000 -0.169 0.000 1.118 120 A HN -0.246 7.620 8.150 -0.473 0.000 0.501 121 W N -2.970 118.385 121.300 0.092 0.000 2.073 121 W HA 0.171 4.880 4.660 0.083 0.000 0.295 121 W C -2.349 174.314 176.519 0.240 0.000 1.005 121 W CA -0.600 56.825 57.345 0.134 0.000 1.451 121 W CB 1.997 31.521 29.460 0.107 0.000 1.515 121 W HN 0.094 8.416 8.180 0.237 0.000 0.341 122 L N 4.052 125.465 121.223 0.316 0.000 2.278 122 L HA 0.168 4.724 4.340 0.359 0.000 0.287 122 L C -2.000 175.083 176.870 0.355 0.000 1.072 122 L CA -0.906 54.115 54.840 0.302 0.000 0.819 122 L CB 0.745 42.893 42.059 0.149 0.000 1.176 122 L HN 0.977 9.203 8.230 0.184 0.114 0.435 123 V N 9.112 129.265 119.914 0.398 0.000 2.465 123 V HA 0.515 5.159 4.120 0.481 -0.234 0.279 123 V C -1.124 175.241 176.094 0.451 0.000 1.045 123 V CA -0.465 62.080 62.300 0.409 0.000 0.938 123 V CB 0.690 32.705 31.823 0.320 0.000 0.986 123 V HN 1.117 9.414 8.190 0.348 0.102 0.467 124 F N 7.302 127.298 119.950 0.078 0.000 2.500 124 F HA 0.495 5.218 4.527 -0.013 -0.204 0.349 124 F C -1.014 174.785 175.800 -0.002 0.000 1.127 124 F CA -2.506 55.502 58.000 0.013 0.000 0.998 124 F CB 3.210 42.215 39.000 0.008 0.000 1.237 124 F HN 0.841 9.380 8.300 0.399 0.000 0.439 125 A N 7.506 130.310 122.820 -0.026 0.000 2.473 125 A HA 0.135 4.682 4.320 0.023 -0.213 0.282 125 A C -0.845 176.726 177.584 -0.021 0.000 1.163 125 A CA -0.399 51.622 52.037 -0.026 0.000 0.827 125 A CB -0.244 18.707 19.000 -0.081 0.000 1.098 125 A HN 0.915 8.869 8.150 -0.152 0.105 0.515 126 N N 4.887 123.600 118.700 0.021 0.000 2.408 126 N HA 0.003 4.890 4.740 0.032 -0.127 0.260 126 N C 0.651 176.166 175.510 0.007 0.000 1.242 126 N CA 0.266 53.331 53.050 0.025 0.000 0.959 126 N CB 2.099 40.607 38.487 0.035 0.000 1.201 126 N HN -0.260 8.039 8.380 0.031 0.100 0.511 127 K N -3.884 116.523 120.400 0.011 0.000 3.341 127 K HA -0.436 4.028 4.320 0.012 -0.137 0.305 127 K C 1.030 177.627 176.600 -0.004 0.000 1.270 127 K CA 2.105 58.397 56.287 0.007 0.000 0.897 127 K CB -1.747 30.759 32.500 0.009 0.000 1.264 127 K HN 0.579 8.841 8.250 0.021 0.000 0.468 128 Q N -2.840 116.951 119.800 -0.016 0.000 2.226 128 Q HA -0.315 4.007 4.340 -0.030 0.000 0.204 128 Q C 0.621 176.611 176.000 -0.017 0.000 0.975 128 Q CA 2.857 58.643 55.803 -0.029 0.000 0.866 128 Q CB -0.319 28.386 28.738 -0.055 0.000 0.915 128 Q HN -0.554 7.660 8.270 -0.016 0.046 0.440 129 D N -6.425 113.971 120.400 -0.006 0.000 2.310 129 D HA -0.244 4.395 4.640 -0.002 0.000 0.212 129 D C 0.258 176.558 176.300 0.001 0.000 0.965 129 D CA 0.782 54.782 54.000 0.000 0.000 0.879 129 D CB -0.528 40.277 40.800 0.009 0.000 0.921 129 D HN 0.042 8.379 8.370 -0.003 0.031 0.510 130 L N 1.743 122.966 121.223 0.001 0.000 2.490 130 L HA 0.155 4.497 4.340 0.004 0.000 0.274 130 L C 0.265 177.134 176.870 -0.001 0.000 1.201 130 L CA -1.140 53.701 54.840 0.002 0.000 0.869 130 L CB -1.613 40.448 42.059 0.003 0.000 1.123 130 L HN -0.492 7.570 8.230 -0.000 0.167 0.484 131 P HA -0.198 4.222 4.420 -0.001 0.000 0.217 131 P C -0.266 177.032 177.300 -0.002 0.000 1.148 131 P CA 1.806 64.905 63.100 -0.000 0.000 0.834 131 P CB 0.263 31.963 31.700 0.001 0.000 0.783 132 E N -4.163 116.036 120.200 -0.002 0.000 2.423 132 E HA 0.071 4.419 4.350 -0.003 0.000 0.198 132 E C -1.165 175.433 176.600 -0.005 0.000 1.038 132 E CA -1.098 55.300 56.400 -0.002 0.000 1.011 132 E CB -0.447 29.253 29.700 0.000 0.000 1.118 132 E HN 0.068 8.397 8.360 -0.000 0.031 0.451 133 A N -0.387 122.428 122.820 -0.008 0.000 2.520 133 A HA -0.108 4.206 4.320 -0.009 0.000 0.245 133 A C -0.224 177.349 177.584 -0.018 0.000 1.072 133 A CA 0.387 52.416 52.037 -0.013 0.000 0.761 133 A CB 0.464 19.453 19.000 -0.017 0.000 1.004 133 A HN 0.195 8.161 8.150 -0.007 0.179 0.499 134 M N 5.878 125.467 119.600 -0.018 0.000 2.245 134 M HA -0.053 4.416 4.480 -0.018 0.000 0.344 134 M C -0.731 175.547 176.300 -0.037 0.000 1.170 134 M CA -0.073 55.214 55.300 -0.022 0.000 1.135 134 M CB 1.160 33.751 32.600 -0.016 0.000 1.574 134 M HN -0.013 8.163 8.290 -0.014 0.105 0.452 135 S N 2.266 117.943 115.700 -0.039 0.000 2.614 135 S HA 0.058 4.494 4.470 -0.057 0.000 0.265 135 S C 1.266 175.823 174.600 -0.072 0.000 1.303 135 S CA -1.059 57.109 58.200 -0.053 0.000 1.000 135 S CB 1.932 65.106 63.200 -0.043 0.000 0.935 135 S HN -0.131 8.161 8.310 -0.031 0.000 0.551 136 A N 1.396 124.158 122.820 -0.097 0.000 1.969 136 A HA -0.277 3.954 4.320 -0.149 0.000 0.218 136 A C 1.954 179.467 177.584 -0.119 0.000 1.169 136 A CA 2.835 54.791 52.037 -0.136 0.000 0.635 136 A CB -0.673 18.222 19.000 -0.174 0.000 0.810 136 A HN 0.693 8.788 8.150 -0.091 0.000 0.445 137 A N -2.480 120.290 122.820 -0.083 0.000 1.933 137 A HA -0.267 4.012 4.320 -0.068 0.000 0.218 137 A C 2.237 179.792 177.584 -0.049 0.000 1.175 137 A CA 2.894 54.895 52.037 -0.062 0.000 0.628 137 A CB -0.700 18.275 19.000 -0.043 0.000 0.814 137 A HN 0.278 8.361 8.150 -0.074 0.023 0.444 138 E N -0.999 119.175 120.200 -0.043 0.000 2.051 138 E HA -0.178 4.160 4.350 -0.020 0.000 0.189 138 E C 2.188 178.773 176.600 -0.025 0.000 0.979 138 E CA 2.170 58.554 56.400 -0.027 0.000 0.803 138 E CB -0.095 29.593 29.700 -0.019 0.000 0.761 138 E HN -0.761 7.571 8.360 -0.046 0.000 0.451 139 I N -1.486 119.061 120.570 -0.038 0.000 2.286 139 I HA -0.559 3.612 4.170 0.001 0.000 0.248 139 I C 2.182 178.272 176.117 -0.046 0.000 1.115 139 I CA 4.311 65.594 61.300 -0.029 0.000 1.392 139 I CB -0.140 37.835 38.000 -0.043 0.000 1.065 139 I HN -0.382 7.798 8.210 -0.049 0.000 0.418 140 T N 2.136 116.632 114.554 -0.096 0.000 2.701 140 T HA -0.456 3.776 4.350 -0.197 0.000 0.263 140 T C 1.552 176.220 174.700 -0.052 0.000 1.040 140 T CA 5.269 67.286 62.100 -0.138 0.000 1.147 140 T CB -0.179 68.577 68.868 -0.187 0.000 0.865 140 T HN -0.058 8.109 8.240 -0.102 0.012 0.426 141 E N 2.075 122.261 120.200 -0.024 0.000 2.038 141 E HA -0.435 3.930 4.350 0.026 0.000 0.195 141 E C 2.801 179.419 176.600 0.031 0.000 1.000 141 E CA 3.594 60.000 56.400 0.010 0.000 0.803 141 E CB -0.338 29.362 29.700 0.000 0.000 0.750 141 E HN -0.416 7.922 8.360 -0.038 0.000 0.448 142 K N -2.491 117.925 120.400 0.026 0.000 2.152 142 K HA -0.227 4.115 4.320 0.037 0.000 0.206 142 K C 1.364 178.009 176.600 0.074 0.000 1.048 142 K CA 2.036 58.348 56.287 0.042 0.000 0.933 142 K CB -0.233 32.289 32.500 0.037 0.000 0.721 142 K HN -0.190 8.068 8.250 0.012 0.000 0.447 143 L N -5.370 115.911 121.223 0.097 0.000 2.599 143 L HA -0.023 4.421 4.340 0.173 0.000 0.230 143 L C 0.326 177.358 176.870 0.270 0.000 1.141 143 L CA -0.182 54.775 54.840 0.195 0.000 0.877 143 L CB 0.395 42.598 42.059 0.240 0.000 1.009 143 L HN -0.719 7.421 8.230 0.062 0.127 0.447 144 G N -1.165 107.738 108.800 0.171 0.000 2.249 144 G HA2 -0.391 3.648 3.960 0.133 0.000 0.273 144 G HA3 -0.391 3.669 3.960 0.167 0.000 0.273 144 G C 0.592 175.667 174.900 0.292 0.000 1.036 144 G CA 0.990 46.202 45.100 0.186 0.000 0.824 144 G HN -0.032 8.122 8.290 0.112 0.203 0.504 145 L N -1.144 120.186 121.223 0.178 0.000 2.042 145 L HA -0.359 4.059 4.340 0.129 0.000 0.210 145 L C 1.229 178.149 176.870 0.084 0.000 1.076 145 L CA 3.158 58.000 54.840 0.003 0.000 0.749 145 L CB -0.743 41.105 42.059 -0.350 0.000 0.893 145 L HN -0.379 7.889 8.230 0.089 0.016 0.432 146 H N -3.584 115.502 119.070 0.028 0.000 2.462 146 H HA -0.220 4.351 4.556 0.026 0.000 0.292 146 H C 0.806 176.176 175.328 0.069 0.000 1.049 146 H CA 2.101 58.169 56.048 0.034 0.000 1.334 146 H CB 0.372 30.140 29.762 0.009 0.000 1.404 146 H HN 0.215 8.605 8.280 0.182 0.000 0.544 147 S N -3.081 112.757 115.700 0.229 0.000 2.528 147 S HA -0.050 4.511 4.470 0.152 0.000 0.219 147 S C -0.590 174.099 174.600 0.148 0.000 0.985 147 S CA 1.156 59.451 58.200 0.160 0.000 0.914 147 S CB 0.523 63.789 63.200 0.111 0.000 0.776 147 S HN -0.189 8.125 8.310 0.222 0.129 0.526 148 I N 1.846 122.553 120.570 0.229 0.000 2.330 148 I HA -0.026 4.202 4.170 0.096 0.000 0.286 148 I C -1.072 175.207 176.117 0.270 0.000 1.025 148 I CA -0.159 61.278 61.300 0.228 0.000 1.197 148 I CB 0.367 38.544 38.000 0.294 0.000 1.358 148 I HN -0.619 7.593 8.210 0.285 0.169 0.467 149 R N 7.318 127.901 120.500 0.138 0.000 2.668 149 R HA 0.234 4.678 4.340 0.174 0.000 0.435 149 R C -1.267 175.078 176.300 0.076 0.000 1.059 149 R CA 0.110 56.283 56.100 0.121 0.000 1.073 149 R CB 0.401 30.751 30.300 0.083 0.000 1.401 149 R HN 0.517 8.837 8.270 0.084 0.000 0.590 150 N N -0.642 118.080 118.700 0.038 0.000 2.197 150 N HA 0.081 4.836 4.740 0.025 0.000 0.201 150 N C -0.818 174.696 175.510 0.006 0.000 1.148 150 N CA 0.112 53.164 53.050 0.004 0.000 0.883 150 N CB 1.083 39.544 38.487 -0.042 0.000 1.012 150 N HN -0.225 8.168 8.380 0.021 0.000 0.507 151 R N -0.798 119.711 120.500 0.014 0.000 2.604 151 R HA 0.356 4.793 4.340 0.162 0.000 0.281 151 R C -2.712 173.758 176.300 0.283 0.000 1.020 151 R CA -2.860 53.288 56.100 0.081 0.000 0.899 151 R CB 2.291 32.448 30.300 -0.237 0.000 1.205 151 R HN -0.564 7.727 8.270 0.034 0.000 0.450 152 P HA 0.109 4.713 4.420 0.308 0.000 0.267 152 P C -1.980 175.650 177.300 0.550 0.000 1.328 152 P CA -0.149 63.172 63.100 0.369 0.000 0.990 152 P CB -0.492 31.349 31.700 0.236 0.000 1.168 153 W N 1.045 122.472 121.300 0.212 0.000 3.127 153 W HA 0.395 5.380 4.660 0.292 -0.149 0.330 153 W C -3.299 173.388 176.519 0.279 0.000 1.187 153 W CA -2.595 54.899 57.345 0.247 0.000 1.198 153 W CB 2.030 31.601 29.460 0.186 0.000 1.408 153 W HN -0.557 8.040 8.180 0.694 0.000 0.529 154 F N 0.950 120.868 119.950 -0.053 0.000 2.613 154 F HA 0.360 4.610 4.527 -0.462 0.000 0.314 154 F C -2.228 173.457 175.800 -0.192 0.000 1.075 154 F CA -2.045 55.807 58.000 -0.247 0.000 0.945 154 F CB 4.815 43.737 39.000 -0.131 0.000 1.310 154 F HN -0.310 8.217 8.300 0.378 0.000 0.467 155 I N 2.754 122.752 120.570 -0.954 0.000 2.378 155 I HA 0.314 4.456 4.170 -0.293 -0.148 0.291 155 I C -2.231 173.464 176.117 -0.703 0.000 0.992 155 I CA -1.200 59.719 61.300 -0.634 0.000 1.154 155 I CB 2.416 40.070 38.000 -0.577 0.000 1.315 155 I HN 0.010 7.183 8.210 -1.729 0.000 0.448 156 Q N 8.550 128.104 119.800 -0.411 0.000 2.347 156 Q HA 0.294 4.347 4.340 -0.478 0.000 0.271 156 Q C -2.073 173.559 176.000 -0.613 0.000 1.064 156 Q CA -1.815 53.664 55.803 -0.540 0.000 0.800 156 Q CB 4.871 33.232 28.738 -0.629 0.000 1.304 156 Q HN 0.468 8.501 8.270 -0.226 0.102 0.438 157 A N 6.417 128.962 122.820 -0.458 0.000 2.404 157 A HA 0.039 4.187 4.320 -0.287 0.000 0.273 157 A C -1.434 175.908 177.584 -0.404 0.000 1.144 157 A CA -0.233 51.599 52.037 -0.341 0.000 0.806 157 A CB 0.510 19.383 19.000 -0.211 0.000 1.080 157 A HN 0.517 8.436 8.150 -0.384 0.000 0.509 158 T N 3.429 117.787 114.554 -0.328 0.000 2.906 158 T HA 0.565 4.781 4.350 -0.223 0.000 0.295 158 T C -1.549 173.117 174.700 -0.057 0.000 1.061 158 T CA -1.935 60.038 62.100 -0.211 0.000 1.000 158 T CB 2.633 71.425 68.868 -0.125 0.000 1.103 158 T HN 0.409 8.500 8.240 -0.249 0.000 0.486 159 C N 6.158 125.453 119.300 -0.009 0.000 2.386 159 C HA 0.399 4.868 4.460 0.014 0.000 0.318 159 C C -0.481 174.538 174.990 0.048 0.000 1.128 159 C CA -0.991 58.037 59.018 0.017 0.000 1.438 159 C CB 1.733 29.479 27.740 0.010 0.000 1.987 159 C HN 0.076 8.303 8.230 -0.006 0.000 0.426 160 A N 7.322 130.176 122.820 0.057 0.000 1.968 160 A HA -0.181 4.185 4.320 0.077 0.000 0.217 160 A C 0.334 177.953 177.584 0.058 0.000 1.169 160 A CA 2.573 54.650 52.037 0.066 0.000 0.638 160 A CB -0.198 18.842 19.000 0.067 0.000 0.812 160 A HN 0.583 8.763 8.150 0.051 0.000 0.446 161 T N -3.294 111.288 114.554 0.046 0.000 2.737 161 T HA -0.374 4.001 4.350 0.042 0.000 0.269 161 T C 1.174 175.900 174.700 0.042 0.000 1.040 161 T CA 2.936 65.060 62.100 0.040 0.000 1.142 161 T CB -0.169 68.718 68.868 0.031 0.000 0.861 161 T HN 0.325 8.590 8.240 0.041 0.000 0.456 162 S N -2.803 112.924 115.700 0.046 0.000 2.545 162 S HA 0.071 4.569 4.470 0.046 0.000 0.232 162 S C -0.491 174.151 174.600 0.070 0.000 1.070 162 S CA 1.320 59.551 58.200 0.052 0.000 0.923 162 S CB 1.833 65.062 63.200 0.048 0.000 0.806 162 S HN -0.730 7.592 8.310 0.045 0.015 0.506 163 G N -0.561 108.286 108.800 0.077 0.000 2.163 163 G HA2 -0.399 3.622 3.960 0.091 0.000 0.213 163 G HA3 -0.399 3.623 3.960 0.105 0.000 0.213 163 G C -0.859 174.119 174.900 0.130 0.000 0.991 163 G CA -0.093 45.067 45.100 0.099 0.000 0.653 163 G HN 0.142 8.364 8.290 0.066 0.107 0.518 164 E N 2.041 122.307 120.200 0.109 0.000 2.384 164 E HA -0.020 4.483 4.350 0.255 0.000 0.266 164 E C 0.347 176.944 176.600 -0.005 0.000 1.012 164 E CA 0.810 57.284 56.400 0.123 0.000 0.901 164 E CB 0.646 30.403 29.700 0.095 0.000 0.967 164 E HN -0.670 7.698 8.360 0.084 0.042 0.435 165 G N 3.951 112.631 108.800 -0.201 0.000 2.267 165 G HA2 -0.374 3.245 3.960 -0.569 0.000 0.257 165 G HA3 -0.374 3.453 3.960 -0.223 0.000 0.257 165 G C 1.079 175.830 174.900 -0.250 0.000 0.998 165 G CA 1.548 46.427 45.100 -0.368 0.000 0.620 165 G HN 0.613 8.804 8.290 -0.165 0.000 0.529 166 L N 1.373 122.551 121.223 -0.075 0.000 2.056 166 L HA -0.233 4.318 4.340 0.352 0.000 0.207 166 L C 1.228 178.047 176.870 -0.086 0.000 1.078 166 L CA 2.945 57.831 54.840 0.076 0.000 0.749 166 L CB -0.527 41.574 42.059 0.071 0.000 0.901 166 L HN -0.729 7.377 8.230 -0.038 0.101 0.433 167 Y N -2.739 117.561 120.300 -0.000 0.000 2.181 167 Y HA -0.481 3.889 4.550 -0.300 0.000 0.288 167 Y C 1.579 177.448 175.900 -0.053 0.000 1.146 167 Y CA 2.675 60.729 58.100 -0.077 0.000 1.164 167 Y CB -1.721 36.785 38.460 0.076 0.000 0.982 167 Y HN -0.356 7.893 8.280 -0.051 0.000 0.515 168 E N 1.311 121.216 120.200 -0.491 0.000 2.118 168 E HA -0.447 3.776 4.350 -0.212 0.000 0.195 168 E C 2.348 178.896 176.600 -0.086 0.000 0.992 168 E CA 2.256 58.490 56.400 -0.277 0.000 0.804 168 E CB -0.627 28.920 29.700 -0.255 0.000 0.741 168 E HN -0.082 7.405 8.360 -1.455 0.000 0.458 169 G N -1.061 107.837 108.800 0.163 0.000 2.418 169 G HA2 -0.280 4.064 3.960 0.639 0.000 0.217 169 G HA3 -0.280 3.806 3.960 0.209 0.000 0.217 169 G C 1.055 175.941 174.900 -0.024 0.000 1.158 169 G CA 1.931 47.206 45.100 0.291 0.000 0.771 169 G HN -0.539 7.727 8.290 0.122 0.097 0.545 170 L N 0.508 121.587 121.223 -0.240 0.000 2.201 170 L HA -0.250 3.809 4.340 -0.468 0.000 0.212 170 L C 1.465 178.164 176.870 -0.285 0.000 1.105 170 L CA 2.756 57.330 54.840 -0.444 0.000 0.775 170 L CB 0.051 41.650 42.059 -0.767 0.000 0.913 170 L HN -0.662 7.420 8.230 -0.247 0.000 0.440 171 E N -0.109 119.994 120.200 -0.162 0.000 2.112 171 E HA -0.229 4.111 4.350 -0.015 0.000 0.190 171 E C 2.182 178.716 176.600 -0.110 0.000 0.979 171 E CA 2.741 59.060 56.400 -0.135 0.000 0.814 171 E CB -0.015 29.538 29.700 -0.244 0.000 0.762 171 E HN -0.562 7.565 8.360 -0.171 0.130 0.460 172 W N -0.911 120.407 121.300 0.030 0.000 2.381 172 W HA -0.347 4.322 4.660 0.016 0.000 0.301 172 W C 2.167 178.692 176.519 0.010 0.000 1.205 172 W CA 2.726 60.082 57.345 0.018 0.000 1.285 172 W CB 0.229 29.707 29.460 0.029 0.000 1.133 172 W HN -0.034 8.093 8.180 -0.087 0.000 0.521 173 L N -1.585 119.775 121.223 0.228 0.000 1.994 173 L HA -0.536 3.892 4.340 0.147 0.000 0.208 173 L C 1.459 178.429 176.870 0.166 0.000 1.071 173 L CA 2.983 57.911 54.840 0.147 0.000 0.745 173 L CB -0.032 42.067 42.059 0.067 0.000 0.892 173 L HN -0.479 7.863 8.230 0.188 0.000 0.431 174 S N -1.709 114.109 115.700 0.196 0.000 2.402 174 S HA -0.389 4.279 4.470 0.329 0.000 0.233 174 S C 2.115 176.816 174.600 0.169 0.000 1.030 174 S CA 2.967 61.333 58.200 0.276 0.000 1.003 174 S CB -0.284 63.159 63.200 0.406 0.000 0.813 174 S HN -0.375 8.009 8.310 0.124 0.000 0.477 175 N N 0.312 119.101 118.700 0.148 0.000 2.270 175 N HA -0.098 4.702 4.740 0.099 0.000 0.181 175 N C 0.719 176.295 175.510 0.109 0.000 1.016 175 N CA 1.663 54.788 53.050 0.125 0.000 0.870 175 N CB -0.261 38.319 38.487 0.155 0.000 0.979 175 N HN -0.510 7.845 8.380 0.160 0.121 0.431 176 C N -1.120 118.250 119.300 0.115 0.000 2.432 176 C HA -0.139 4.361 4.460 0.066 0.000 0.280 176 C C 1.315 176.340 174.990 0.058 0.000 1.353 176 C CA 1.684 60.749 59.018 0.078 0.000 1.766 176 C CB -0.817 26.965 27.740 0.071 0.000 1.924 176 C HN -0.357 7.853 8.230 0.143 0.106 0.509 177 L N -1.627 119.635 121.223 0.065 0.000 2.185 177 L HA -0.110 4.156 4.340 0.031 0.093 0.198 177 L C 0.026 176.916 176.870 0.033 0.000 1.079 177 L CA 2.116 56.981 54.840 0.042 0.000 0.780 177 L CB 0.937 43.020 42.059 0.041 0.000 0.955 177 L HN -0.532 7.730 8.230 0.087 0.020 0.462 178 K N -3.922 116.502 120.400 0.040 0.000 2.975 178 K HA -0.480 3.856 4.320 0.026 0.000 0.257 178 K C -0.009 176.593 176.600 0.004 0.000 1.005 178 K CA 1.740 58.042 56.287 0.025 0.000 0.738 178 K CB -2.485 30.032 32.500 0.029 0.000 1.236 178 K HN -0.336 7.950 8.250 0.059 0.000 0.483 179 N N -5.940 112.758 118.700 -0.004 0.000 3.078 179 N HA -0.469 4.257 4.740 -0.023 0.000 0.221 179 N C 0.286 175.789 175.510 -0.012 0.000 0.163 179 N CA 2.756 55.795 53.050 -0.019 0.000 3.866 179 N CB -1.880 36.586 38.487 -0.036 0.000 1.005 179 N HN 0.444 8.803 8.380 0.003 0.022 0.246 180 S N 3.099 118.794 115.700 -0.008 0.000 2.420 180 S HA -0.191 4.276 4.470 -0.005 0.000 0.237 180 S C 0.610 175.214 174.600 0.007 0.000 1.023 180 S CA 2.252 60.452 58.200 -0.000 0.000 0.991 180 S CB 0.515 63.718 63.200 0.006 0.000 0.792 180 S HN 0.328 8.571 8.310 -0.009 0.062 0.488 181 T N 0.000 114.560 114.554 0.009 0.000 3.816 181 T HA 0.000 4.357 4.350 0.012 0.000 0.228 181 T CA 0.000 62.108 62.100 0.013 0.000 1.349 181 T CB 0.000 68.880 68.868 0.020 0.000 0.612 181 T HN 0.000 8.207 8.240 0.009 0.039 0.658