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 1iku_1_A DATA FIRST_RESID 2 DATA SEQUENCE GNSKSGALSK EILEELQLNT KFTEEELSSW YQSFLKECPS GRITRQEFQT DATA SEQUENCE IYSKFFPEAD PKAYAQHVFR SFDANSDGTL DFKEYVIALH MTSAGKTNQK DATA SEQUENCE LEWAFSLYDV DGNGTISKNE VLEIVTAIFK MISPEDTKHL PEDENTPEKR DATA SEQUENCE AEKIWGFFGK KDDDKLTEKE FIEGTLANKE ILRLIQFE 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 3.966 3.960 0.010 0.000 0.244 2 G C 0.000 174.918 174.900 0.029 0.000 0.946 2 G CA 0.000 45.121 45.100 0.035 0.000 0.502 3 N N 0.293 119.006 118.700 0.022 0.000 2.555 3 N HA 0.102 4.868 4.740 0.043 0.000 0.265 3 N C -0.033 175.503 175.510 0.043 0.000 1.135 3 N CA -0.165 52.904 53.050 0.032 0.000 0.925 3 N CB 1.675 40.174 38.487 0.020 0.000 1.662 3 N HN -0.692 7.689 8.380 0.003 0.000 0.489 4 S N 4.353 120.086 115.700 0.055 0.000 2.387 4 S HA -0.399 4.119 4.470 0.081 0.000 0.230 4 S C 1.393 176.032 174.600 0.065 0.000 1.035 4 S CA 3.660 61.900 58.200 0.066 0.000 1.014 4 S CB 0.156 63.392 63.200 0.060 0.000 0.836 4 S HN 0.515 8.857 8.310 0.053 0.000 0.466 5 K N 1.139 121.571 120.400 0.054 0.000 2.015 5 K HA -0.369 3.988 4.320 0.062 0.000 0.216 5 K C 2.016 178.665 176.600 0.082 0.000 1.052 5 K CA 3.445 59.768 56.287 0.060 0.000 0.937 5 K CB -0.217 32.311 32.500 0.047 0.000 0.719 5 K HN 0.111 8.727 8.250 0.046 -0.339 0.446 6 S N -2.775 112.959 115.700 0.056 0.000 2.440 6 S HA -0.301 4.243 4.470 0.124 0.000 0.240 6 S C 1.775 176.493 174.600 0.196 0.000 1.014 6 S CA 3.000 61.242 58.200 0.071 0.000 0.980 6 S CB -0.606 62.520 63.200 -0.123 0.000 0.775 6 S HN 0.452 8.777 8.310 0.026 0.000 0.499 7 G N -0.238 108.645 108.800 0.139 0.000 2.403 7 G HA2 -0.184 3.898 3.960 0.203 0.000 0.216 7 G HA3 -0.184 3.879 3.960 0.131 -0.024 0.216 7 G C 0.180 175.175 174.900 0.159 0.000 1.154 7 G CA 1.313 46.510 45.100 0.163 0.000 0.784 7 G HN 0.126 8.278 8.290 0.097 0.196 0.538 8 A N 3.092 125.990 122.820 0.130 0.000 1.858 8 A HA -0.348 4.025 4.320 0.088 0.000 0.216 8 A C 1.604 179.258 177.584 0.117 0.000 1.190 8 A CA 2.768 54.868 52.037 0.105 0.000 0.617 8 A CB -0.687 18.364 19.000 0.085 0.000 0.827 8 A HN -0.172 7.939 8.150 0.118 0.109 0.443 9 L N -2.704 118.616 121.223 0.160 0.000 2.089 9 L HA -0.358 4.045 4.340 0.105 0.000 0.213 9 L C 2.496 179.400 176.870 0.057 0.000 1.079 9 L CA 2.641 57.572 54.840 0.151 0.000 0.758 9 L CB -0.270 41.977 42.059 0.314 0.000 0.891 9 L HN -0.474 7.864 8.230 0.181 0.000 0.433 10 S N -2.387 113.373 115.700 0.099 0.000 2.406 10 S HA -0.237 4.184 4.470 -0.080 0.000 0.228 10 S C 1.506 176.171 174.600 0.109 0.000 1.020 10 S CA 2.623 60.868 58.200 0.074 0.000 0.965 10 S CB -0.464 62.899 63.200 0.272 0.000 0.798 10 S HN -0.519 7.820 8.310 0.224 0.106 0.488 11 K N 2.411 122.874 120.400 0.105 0.000 1.973 11 K HA -0.390 3.991 4.320 0.102 0.000 0.212 11 K C 2.294 178.921 176.600 0.046 0.000 1.047 11 K CA 3.702 60.038 56.287 0.082 0.000 0.937 11 K CB -0.116 32.425 32.500 0.069 0.000 0.721 11 K HN -0.212 7.973 8.250 0.116 0.135 0.440 12 E N -2.077 118.143 120.200 0.033 0.000 2.097 12 E HA -0.334 4.021 4.350 0.007 0.000 0.196 12 E C 2.697 179.288 176.600 -0.015 0.000 1.000 12 E CA 3.040 59.446 56.400 0.010 0.000 0.804 12 E CB -0.176 29.532 29.700 0.015 0.000 0.740 12 E HN -0.702 7.684 8.360 0.044 0.000 0.454 13 I N 0.085 120.640 120.570 -0.025 0.000 2.094 13 I HA -0.401 3.893 4.170 -0.073 -0.167 0.234 13 I C 2.024 178.080 176.117 -0.101 0.000 1.063 13 I CA 4.070 65.327 61.300 -0.071 0.000 1.328 13 I CB 0.328 38.275 38.000 -0.089 0.000 1.058 13 I HN -0.591 7.607 8.210 -0.009 0.006 0.400 14 L N -3.668 117.500 121.223 -0.092 0.000 2.551 14 L HA -0.371 3.850 4.340 -0.197 0.000 0.230 14 L C 1.578 178.412 176.870 -0.060 0.000 1.163 14 L CA 2.080 56.859 54.840 -0.103 0.000 0.826 14 L CB -1.250 40.828 42.059 0.033 0.000 0.943 14 L HN 0.033 8.134 8.230 -0.050 0.099 0.452 15 E N -0.838 119.343 120.200 -0.031 0.000 2.075 15 E HA -0.171 4.180 4.350 0.002 0.000 0.190 15 E C 1.270 177.838 176.600 -0.053 0.000 0.969 15 E CA 2.301 58.690 56.400 -0.019 0.000 0.815 15 E CB 0.214 29.915 29.700 0.002 0.000 0.776 15 E HN -0.330 7.870 8.360 -0.029 0.142 0.457 16 E N -1.449 118.713 120.200 -0.064 0.000 2.208 16 E HA -0.244 4.070 4.350 -0.060 0.000 0.193 16 E C 2.102 178.634 176.600 -0.113 0.000 0.988 16 E CA 1.882 58.237 56.400 -0.075 0.000 0.828 16 E CB 0.014 29.674 29.700 -0.068 0.000 0.763 16 E HN -0.345 7.980 8.360 -0.058 0.000 0.478 17 L N -0.668 120.464 121.223 -0.151 0.000 1.957 17 L HA -0.358 3.829 4.340 -0.254 0.000 0.228 17 L C 1.136 177.887 176.870 -0.198 0.000 1.086 17 L CA 2.879 57.585 54.840 -0.224 0.000 0.796 17 L CB 0.424 42.325 42.059 -0.264 0.000 0.900 17 L HN -0.309 7.810 8.230 -0.141 0.027 0.439 18 Q N -7.227 112.477 119.800 -0.160 0.000 1.262 18 Q HA -0.055 4.233 4.340 -0.087 0.000 0.128 18 Q C -1.001 174.950 176.000 -0.082 0.000 0.660 18 Q CA -0.095 55.644 55.803 -0.107 0.000 0.607 18 Q CB 1.261 29.941 28.738 -0.097 0.000 1.076 18 Q HN 0.002 8.170 8.270 -0.169 0.000 0.323 19 L N -2.046 119.096 121.223 -0.134 0.000 2.946 19 L HA 0.083 4.389 4.340 -0.057 0.000 0.189 19 L C -1.182 175.685 176.870 -0.005 0.000 1.249 19 L CA -0.664 54.110 54.840 -0.110 0.000 1.098 19 L CB 1.018 42.834 42.059 -0.406 0.000 2.064 19 L HN -0.561 7.559 8.230 -0.183 0.000 0.522 20 N N -1.929 116.834 118.700 0.105 0.000 3.211 20 N HA 0.032 4.808 4.740 0.060 0.000 0.183 20 N C -1.390 174.205 175.510 0.141 0.000 1.447 20 N CA 0.343 53.447 53.050 0.090 0.000 0.840 20 N CB 0.967 39.475 38.487 0.037 0.000 1.611 20 N HN 0.123 8.640 8.380 0.228 0.000 0.610 21 T N 3.070 117.754 114.554 0.216 0.000 2.851 21 T HA 0.017 4.573 4.350 0.205 -0.083 0.298 21 T C 0.592 175.324 174.700 0.052 0.000 0.977 21 T CA 0.143 62.360 62.100 0.195 0.000 1.126 21 T CB 0.994 69.990 68.868 0.214 0.000 0.916 21 T HN -0.018 8.366 8.240 0.240 0.000 0.529 22 K N 8.426 128.742 120.400 -0.139 0.000 2.242 22 K HA -0.015 4.216 4.320 -0.148 0.000 0.200 22 K C -0.126 176.301 176.600 -0.290 0.000 1.050 22 K CA 0.015 56.133 56.287 -0.283 0.000 0.981 22 K CB 0.259 32.487 32.500 -0.452 0.000 0.795 22 K HN 0.414 8.523 8.250 -0.235 0.000 0.477 23 F N 0.308 120.138 119.950 -0.201 0.000 2.473 23 F HA -0.182 4.246 4.527 -0.165 0.000 0.405 23 F C 0.326 176.040 175.800 -0.143 0.000 0.988 23 F CA -0.407 57.468 58.000 -0.208 0.000 1.096 23 F CB -1.069 37.714 39.000 -0.362 0.000 0.944 23 F HN -0.338 7.401 8.300 -0.934 0.000 0.530 24 T N 2.761 117.330 114.554 0.024 0.000 2.716 24 T HA -0.260 4.099 4.350 0.016 0.000 0.335 24 T C 1.025 175.758 174.700 0.054 0.000 1.081 24 T CA 0.119 62.235 62.100 0.027 0.000 1.073 24 T CB 1.499 70.376 68.868 0.015 0.000 0.993 24 T HN -0.021 8.209 8.240 -0.016 0.000 0.547 25 E N 2.400 122.634 120.200 0.056 0.000 2.265 25 E HA -0.310 4.091 4.350 0.085 0.000 0.196 25 E C 1.810 178.460 176.600 0.083 0.000 0.996 25 E CA 2.727 59.173 56.400 0.076 0.000 0.832 25 E CB -0.835 28.912 29.700 0.078 0.000 0.756 25 E HN 0.499 8.887 8.360 0.047 0.000 0.491 26 E N -0.370 119.873 120.200 0.070 0.000 2.072 26 E HA -0.211 4.187 4.350 0.080 0.000 0.191 26 E C 1.948 178.606 176.600 0.096 0.000 0.985 26 E CA 2.810 59.256 56.400 0.076 0.000 0.801 26 E CB -0.202 29.533 29.700 0.058 0.000 0.750 26 E HN -0.521 7.831 8.360 0.057 0.043 0.452 27 E N -0.299 119.954 120.200 0.088 0.000 2.031 27 E HA -0.279 4.136 4.350 0.110 0.000 0.193 27 E C 2.608 179.288 176.600 0.134 0.000 0.994 27 E CA 2.764 59.223 56.400 0.098 0.000 0.800 27 E CB -0.423 29.328 29.700 0.085 0.000 0.752 27 E HN -0.696 7.709 8.360 0.075 0.000 0.447 28 L N -1.724 119.557 121.223 0.098 0.000 2.129 28 L HA -0.357 4.131 4.340 0.246 0.000 0.212 28 L C 2.531 179.612 176.870 0.352 0.000 1.087 28 L CA 2.946 57.915 54.840 0.216 0.000 0.757 28 L CB -0.674 41.480 42.059 0.159 0.000 0.896 28 L HN -0.610 7.653 8.230 0.056 0.000 0.434 29 S N -0.437 115.404 115.700 0.236 0.000 2.348 29 S HA -0.312 4.304 4.470 0.242 0.000 0.221 29 S C 2.108 176.856 174.600 0.247 0.000 1.033 29 S CA 3.563 61.898 58.200 0.225 0.000 1.010 29 S CB -0.607 62.679 63.200 0.144 0.000 0.891 29 S HN -0.497 7.783 8.310 0.175 0.135 0.442 30 S N 2.535 118.360 115.700 0.208 0.000 2.383 30 S HA -0.143 4.406 4.470 0.132 0.000 0.227 30 S C 2.148 176.877 174.600 0.215 0.000 1.026 30 S CA 3.127 61.432 58.200 0.174 0.000 0.981 30 S CB -0.318 62.967 63.200 0.142 0.000 0.818 30 S HN -0.586 7.836 8.310 0.185 0.000 0.472 31 W N 3.819 125.187 121.300 0.113 0.000 2.378 31 W HA -0.400 4.312 4.660 0.088 0.000 0.313 31 W C 1.013 177.654 176.519 0.204 0.000 1.197 31 W CA 4.361 61.778 57.345 0.121 0.000 1.304 31 W CB -0.024 29.487 29.460 0.085 0.000 1.148 31 W HN 0.383 8.812 8.180 0.416 0.000 0.494 32 Y N -0.896 119.597 120.300 0.322 0.000 2.030 32 Y HA -0.698 3.794 4.550 -0.097 0.000 0.274 32 Y C 1.918 177.789 175.900 -0.049 0.000 1.153 32 Y CA 4.407 62.579 58.100 0.120 0.000 1.115 32 Y CB -0.150 38.508 38.460 0.331 0.000 0.969 32 Y HN 0.265 8.895 8.280 0.782 0.120 0.488 33 Q N -2.569 117.266 119.800 0.058 0.000 1.985 33 Q HA -0.514 3.708 4.340 -0.197 0.000 0.207 33 Q C 2.827 178.706 176.000 -0.202 0.000 0.996 33 Q CA 3.554 59.300 55.803 -0.096 0.000 0.851 33 Q CB -0.317 28.444 28.738 0.038 0.000 0.921 33 Q HN -0.488 7.967 8.270 0.309 0.000 0.418 34 S N -0.025 115.592 115.700 -0.138 0.000 2.420 34 S HA -0.345 4.043 4.470 -0.137 0.000 0.237 34 S C 2.300 176.732 174.600 -0.280 0.000 1.023 34 S CA 3.277 61.378 58.200 -0.165 0.000 0.991 34 S CB -0.221 62.925 63.200 -0.090 0.000 0.792 34 S HN -0.515 7.763 8.310 -0.052 0.000 0.488 35 F N 3.917 123.470 119.950 -0.662 0.000 2.128 35 F HA -0.182 3.929 4.527 -0.693 0.000 0.295 35 F C 0.965 176.396 175.800 -0.614 0.000 1.100 35 F CA 2.747 60.240 58.000 -0.846 0.000 1.260 35 F CB 0.183 38.228 39.000 -1.591 0.000 1.009 35 F HN 0.258 8.058 8.300 -0.438 0.237 0.476 36 L N -3.850 116.922 121.223 -0.751 0.000 2.395 36 L HA -0.291 3.533 4.340 -0.861 0.000 0.218 36 L C 1.372 177.975 176.870 -0.446 0.000 1.130 36 L CA 1.767 56.201 54.840 -0.677 0.000 0.826 36 L CB -0.491 41.237 42.059 -0.553 0.000 0.941 36 L HN -0.159 7.692 8.230 -0.631 0.000 0.451 37 K N -2.295 117.890 120.400 -0.358 0.000 2.103 37 K HA -0.276 3.924 4.320 -0.200 0.000 0.204 37 K C 1.472 177.935 176.600 -0.228 0.000 1.052 37 K CA 2.490 58.636 56.287 -0.234 0.000 0.945 37 K CB 0.297 32.694 32.500 -0.171 0.000 0.722 37 K HN -0.041 7.849 8.250 -0.375 0.134 0.443 38 E N -3.165 116.871 120.200 -0.273 0.000 2.072 38 E HA -0.156 4.096 4.350 -0.163 0.000 0.190 38 E C 0.417 176.863 176.600 -0.256 0.000 0.982 38 E CA 1.460 57.725 56.400 -0.225 0.000 0.803 38 E CB 0.798 30.375 29.700 -0.205 0.000 0.755 38 E HN -0.597 7.569 8.360 -0.324 0.000 0.453 39 C N -0.436 118.628 119.300 -0.394 0.000 2.705 39 C HA -0.038 4.255 4.460 -0.278 0.000 0.382 39 C C -0.371 174.471 174.990 -0.247 0.000 1.322 39 C CA -1.515 57.286 59.018 -0.361 0.000 2.290 39 C CB 1.370 28.763 27.740 -0.578 0.000 2.650 39 C HN -0.746 7.161 8.230 -0.538 0.000 0.695 40 P HA -0.063 4.292 4.420 -0.108 0.000 0.210 40 P C -0.299 176.929 177.300 -0.120 0.000 1.189 40 P CA 1.564 64.590 63.100 -0.122 0.000 0.920 40 P CB 0.356 32.005 31.700 -0.086 0.000 0.782 41 S N -5.327 110.307 115.700 -0.111 0.000 2.684 41 S HA 0.069 4.483 4.470 -0.094 0.000 0.268 41 S C -1.324 173.229 174.600 -0.079 0.000 1.075 41 S CA 0.223 58.374 58.200 -0.083 0.000 1.184 41 S CB 1.830 65.008 63.200 -0.035 0.000 1.129 41 S HN -0.224 8.020 8.310 -0.109 0.000 0.630 42 G N -0.056 108.680 108.800 -0.106 0.000 2.731 42 G HA2 -0.196 3.662 3.960 -0.170 0.000 0.219 42 G HA3 -0.196 3.906 3.960 0.049 -0.113 0.219 42 G C -1.910 172.999 174.900 0.014 0.000 0.989 42 G CA 0.010 45.080 45.100 -0.050 0.000 0.871 42 G HN -0.250 7.963 8.290 -0.129 0.000 0.591 43 R N 0.717 121.195 120.500 -0.037 0.000 2.234 43 R HA 0.411 4.996 4.340 0.046 -0.218 0.324 43 R C -0.635 175.667 176.300 0.003 0.000 1.054 43 R CA -0.149 55.955 56.100 0.006 0.000 0.912 43 R CB 0.492 30.789 30.300 -0.006 0.000 1.030 43 R HN -0.545 7.677 8.270 -0.081 0.000 0.455 44 I N -0.586 120.028 120.570 0.073 0.000 3.108 44 I HA 0.661 4.878 4.170 0.077 0.000 0.312 44 I C -1.548 174.644 176.117 0.126 0.000 1.095 44 I CA -2.635 58.738 61.300 0.121 0.000 1.000 44 I CB 4.003 42.161 38.000 0.262 0.000 1.229 44 I HN 0.596 8.857 8.210 0.084 0.000 0.454 45 T N -3.239 111.402 114.554 0.144 0.000 2.937 45 T HA 0.573 5.131 4.350 0.139 -0.125 0.283 45 T C 1.728 176.553 174.700 0.209 0.000 1.012 45 T CA -2.034 60.154 62.100 0.147 0.000 0.997 45 T CB 3.413 72.341 68.868 0.100 0.000 1.136 45 T HN -0.211 8.117 8.240 0.146 0.000 0.551 46 R N 0.894 121.518 120.500 0.208 0.000 2.070 46 R HA -0.443 4.033 4.340 0.227 0.000 0.233 46 R C 1.786 178.140 176.300 0.091 0.000 1.137 46 R CA 3.833 60.032 56.100 0.166 0.000 0.945 46 R CB -1.206 29.154 30.300 0.100 0.000 0.845 46 R HN 0.575 8.956 8.270 0.185 0.000 0.430 47 Q N -0.815 119.025 119.800 0.067 0.000 2.308 47 Q HA -0.319 4.262 4.340 0.011 -0.234 0.209 47 Q C 1.150 177.174 176.000 0.040 0.000 0.985 47 Q CA 2.567 58.392 55.803 0.036 0.000 0.881 47 Q CB -1.090 27.668 28.738 0.034 0.000 0.917 47 Q HN 0.264 8.579 8.270 0.074 0.000 0.443 48 E N -2.081 118.170 120.200 0.085 0.000 2.099 48 E HA -0.166 4.210 4.350 0.044 0.000 0.191 48 E C 2.219 178.862 176.600 0.071 0.000 0.962 48 E CA 1.592 58.042 56.400 0.084 0.000 0.826 48 E CB -0.027 29.757 29.700 0.140 0.000 0.788 48 E HN -0.748 7.524 8.360 0.115 0.157 0.461 49 F N 1.629 121.582 119.950 0.005 0.000 2.069 49 F HA -0.454 4.054 4.527 -0.032 0.000 0.298 49 F C 1.310 177.064 175.800 -0.076 0.000 1.113 49 F CA 3.595 61.576 58.000 -0.032 0.000 1.214 49 F CB 0.241 39.245 39.000 0.006 0.000 0.978 49 F HN 0.259 8.739 8.300 0.299 0.000 0.474 50 Q N -3.668 116.029 119.800 -0.172 0.000 2.197 50 Q HA -0.468 3.666 4.340 -0.344 0.000 0.207 50 Q C 2.013 177.875 176.000 -0.229 0.000 0.984 50 Q CA 3.212 58.870 55.803 -0.242 0.000 0.869 50 Q CB -0.874 27.798 28.738 -0.110 0.000 0.906 50 Q HN 0.150 8.445 8.270 0.041 0.000 0.426 51 T N 1.461 115.901 114.554 -0.189 0.000 2.904 51 T HA -0.231 4.042 4.350 -0.128 0.000 0.267 51 T C 1.543 176.077 174.700 -0.277 0.000 1.059 51 T CA 4.102 66.101 62.100 -0.167 0.000 1.137 51 T CB -0.358 68.451 68.868 -0.098 0.000 0.879 51 T HN -0.556 7.469 8.240 -0.141 0.130 0.467 52 I N 1.730 122.047 120.570 -0.422 0.000 2.286 52 I HA -0.436 3.332 4.170 -0.670 0.000 0.245 52 I C 0.822 176.452 176.117 -0.812 0.000 1.104 52 I CA 3.747 64.616 61.300 -0.718 0.000 1.397 52 I CB 0.033 37.559 38.000 -0.789 0.000 1.072 52 I HN -0.527 7.344 8.210 -0.391 0.105 0.417 53 Y N 0.190 120.000 120.300 -0.817 0.000 2.352 53 Y HA -0.463 3.855 4.550 -0.388 0.000 0.292 53 Y C 1.572 177.340 175.900 -0.220 0.000 1.136 53 Y CA 3.733 61.543 58.100 -0.484 0.000 1.227 53 Y CB -0.131 37.998 38.460 -0.552 0.000 0.991 53 Y HN 0.223 8.053 8.280 -0.750 0.000 0.545 54 S N -0.397 115.193 115.700 -0.183 0.000 2.377 54 S HA -0.323 4.125 4.470 -0.037 0.000 0.223 54 S C 0.737 175.243 174.600 -0.156 0.000 1.030 54 S CA 3.394 61.528 58.200 -0.109 0.000 0.970 54 S CB 0.193 63.353 63.200 -0.067 0.000 0.830 54 S HN -0.442 7.613 8.310 -0.222 0.121 0.473 55 K N 1.414 121.696 120.400 -0.197 0.000 2.167 55 K HA -0.201 4.089 4.320 -0.050 0.000 0.203 55 K C 1.997 178.445 176.600 -0.253 0.000 1.052 55 K CA 2.597 58.797 56.287 -0.146 0.000 0.956 55 K CB 0.000 32.396 32.500 -0.174 0.000 0.735 55 K HN -0.797 7.309 8.250 -0.240 0.000 0.451 56 F N -4.589 114.796 119.950 -0.941 0.000 2.325 56 F HA -0.165 3.617 4.527 -1.241 0.000 0.299 56 F C -0.615 174.343 175.800 -1.404 0.000 1.090 56 F CA 1.788 58.926 58.000 -1.438 0.000 1.392 56 F CB 0.924 38.678 39.000 -2.076 0.000 1.053 56 F HN -0.486 7.615 8.300 -0.333 0.000 0.521 57 F N -5.662 114.197 119.950 -0.153 0.000 2.959 57 F HA 0.347 4.821 4.527 -0.088 0.000 0.379 57 F C -2.191 173.520 175.800 -0.148 0.000 1.215 57 F CA -3.720 54.158 58.000 -0.204 0.000 1.190 57 F CB -0.335 38.377 39.000 -0.481 0.000 1.574 57 F HN -0.755 7.136 8.300 -0.643 0.023 0.575 58 P HA -0.085 4.444 4.420 0.014 -0.101 0.205 58 P C 0.286 177.612 177.300 0.045 0.000 1.203 58 P CA 0.487 63.605 63.100 0.029 0.000 0.926 58 P CB 0.626 32.334 31.700 0.014 0.000 0.767 59 E N -0.141 120.083 120.200 0.039 0.000 1.896 59 E HA -0.241 4.129 4.350 0.034 0.000 0.276 59 E C -1.364 175.269 176.600 0.055 0.000 1.171 59 E CA 0.733 57.155 56.400 0.037 0.000 1.118 59 E CB -2.098 27.614 29.700 0.020 0.000 1.077 59 E HN 0.231 8.610 8.360 0.031 0.000 0.452 60 A N 3.104 125.969 122.820 0.075 0.000 2.577 60 A HA 0.179 4.545 4.320 0.078 0.000 0.195 60 A C -1.794 175.877 177.584 0.144 0.000 1.407 60 A CA -0.245 51.852 52.037 0.100 0.000 1.056 60 A CB 1.852 20.913 19.000 0.102 0.000 1.165 60 A HN 0.585 8.752 8.150 0.074 0.027 0.472 61 D N -2.351 118.124 120.400 0.125 0.000 10.484 61 D HA -0.202 4.495 4.640 0.095 0.000 0.318 61 D C -2.342 174.087 176.300 0.214 0.000 3.002 61 D CA 0.590 54.667 54.000 0.129 0.000 2.679 61 D CB -1.451 39.410 40.800 0.102 0.000 1.149 61 D HN -0.672 7.756 8.370 0.097 0.000 0.891 62 P HA -0.140 4.516 4.420 0.392 0.000 0.261 62 P C -1.560 175.793 177.300 0.089 0.000 1.297 62 P CA 0.389 63.607 63.100 0.197 0.000 0.757 62 P CB -0.194 31.556 31.700 0.083 0.000 1.149 63 K N -7.590 112.870 120.400 0.099 0.000 3.481 63 K HA 0.247 4.713 4.320 -0.059 -0.181 0.166 63 K C -1.525 175.109 176.600 0.056 0.000 1.032 63 K CA -0.673 55.625 56.287 0.018 0.000 0.776 63 K CB -0.676 31.829 32.500 0.009 0.000 0.797 63 K HN -0.695 7.474 8.250 0.153 0.173 0.516 64 A N 1.627 124.516 122.820 0.115 0.000 2.536 64 A HA -0.067 4.317 4.320 0.106 0.000 0.219 64 A C -0.728 176.939 177.584 0.139 0.000 1.926 64 A CA 0.637 52.757 52.037 0.139 0.000 0.710 64 A CB -0.108 19.011 19.000 0.198 0.000 1.364 64 A HN -0.216 8.038 8.150 0.174 0.000 0.522 65 Y N -0.572 119.762 120.300 0.057 0.000 2.217 65 Y HA -0.048 4.510 4.550 0.013 0.000 0.286 65 Y C 1.350 177.266 175.900 0.027 0.000 1.117 65 Y CA 1.447 59.560 58.100 0.023 0.000 1.113 65 Y CB 1.064 39.520 38.460 -0.006 0.000 1.053 65 Y HN -0.336 8.127 8.280 0.305 0.000 0.501 66 A N -1.429 121.091 122.820 -0.501 0.000 2.104 66 A HA -0.501 3.281 4.320 -0.896 0.000 0.223 66 A C 1.639 179.039 177.584 -0.307 0.000 1.164 66 A CA 2.918 54.637 52.037 -0.529 0.000 0.659 66 A CB -1.238 17.663 19.000 -0.164 0.000 0.808 66 A HN 0.400 8.595 8.150 0.075 0.000 0.465 67 Q N -1.540 118.113 119.800 -0.245 0.000 2.173 67 Q HA -0.417 3.859 4.340 -0.107 0.000 0.208 67 Q C 1.855 177.833 176.000 -0.037 0.000 0.989 67 Q CA 2.786 58.523 55.803 -0.109 0.000 0.872 67 Q CB -0.454 28.249 28.738 -0.058 0.000 0.909 67 Q HN 0.251 8.309 8.270 -0.233 0.072 0.420 68 H N -0.871 118.093 119.070 -0.177 0.000 2.333 68 H HA -0.188 4.343 4.556 -0.043 0.000 0.302 68 H C 1.951 177.226 175.328 -0.087 0.000 1.075 68 H CA 3.476 59.455 56.048 -0.115 0.000 1.348 68 H CB 0.351 30.024 29.762 -0.147 0.000 1.393 68 H HN -0.006 8.182 8.280 -0.125 0.017 0.509 69 V N 0.041 119.910 119.914 -0.075 0.000 2.220 69 V HA -0.552 3.577 4.120 0.014 0.000 0.250 69 V C 1.551 177.673 176.094 0.045 0.000 1.056 69 V CA 4.270 66.536 62.300 -0.057 0.000 1.016 69 V CB -0.829 30.850 31.823 -0.240 0.000 0.639 69 V HN -0.421 7.574 8.190 -0.211 0.068 0.446 70 F N -1.335 118.605 119.950 -0.017 0.000 2.176 70 F HA -0.533 3.963 4.527 -0.051 0.000 0.301 70 F C 1.358 177.127 175.800 -0.051 0.000 1.071 70 F CA 3.539 61.502 58.000 -0.062 0.000 1.289 70 F CB 0.022 38.922 39.000 -0.165 0.000 1.028 70 F HN -0.495 7.949 8.300 0.239 0.000 0.494 71 R N -1.142 119.381 120.500 0.039 0.000 2.062 71 R HA -0.327 4.031 4.340 0.030 0.000 0.229 71 R C 1.868 178.073 176.300 -0.160 0.000 1.128 71 R CA 2.751 58.806 56.100 -0.075 0.000 0.960 71 R CB -0.295 29.887 30.300 -0.198 0.000 0.855 71 R HN -0.258 7.881 8.270 0.019 0.142 0.432 72 S N -0.988 114.570 115.700 -0.237 0.000 2.368 72 S HA -0.271 4.090 4.470 -0.183 0.000 0.226 72 S C 1.766 176.292 174.600 -0.123 0.000 1.044 72 S CA 3.146 61.245 58.200 -0.169 0.000 1.062 72 S CB -0.014 63.122 63.200 -0.106 0.000 0.931 72 S HN -0.329 7.703 8.310 -0.347 0.070 0.440 73 F N -0.735 119.088 119.950 -0.210 0.000 2.046 73 F HA -0.244 4.206 4.527 -0.129 0.000 0.297 73 F C -0.024 175.649 175.800 -0.212 0.000 1.123 73 F CA 2.646 60.524 58.000 -0.203 0.000 1.199 73 F CB 0.707 39.541 39.000 -0.277 0.000 0.972 73 F HN -0.741 7.691 8.300 0.221 0.000 0.474 74 D N -1.720 118.622 120.400 -0.096 0.000 4.733 74 D HA -0.358 4.202 4.640 -0.133 0.000 0.239 74 D C -1.169 175.086 176.300 -0.075 0.000 1.075 74 D CA 0.495 54.432 54.000 -0.106 0.000 1.258 74 D CB 0.130 40.893 40.800 -0.062 0.000 0.761 74 D HN -0.493 7.766 8.370 -0.184 0.000 0.378 75 A N 2.782 125.539 122.820 -0.105 0.000 2.504 75 A HA -0.208 4.091 4.320 -0.035 0.000 0.242 75 A C -0.328 177.251 177.584 -0.009 0.000 1.100 75 A CA 0.800 52.811 52.037 -0.043 0.000 0.786 75 A CB 0.726 19.716 19.000 -0.017 0.000 1.050 75 A HN 0.333 8.383 8.150 -0.167 0.000 0.512 76 N N -2.974 115.729 118.700 0.005 0.000 2.170 76 N HA -0.032 4.712 4.740 0.007 0.000 0.230 76 N C -1.018 174.499 175.510 0.011 0.000 1.402 76 N CA 0.314 53.368 53.050 0.007 0.000 0.830 76 N CB 0.405 38.894 38.487 0.003 0.000 1.259 76 N HN 0.480 8.865 8.380 0.009 0.000 0.532 77 S N -0.201 115.508 115.700 0.015 0.000 2.596 77 S HA 0.031 4.509 4.470 0.014 0.000 0.305 77 S C -1.285 173.326 174.600 0.018 0.000 1.086 77 S CA 0.857 59.066 58.200 0.015 0.000 0.909 77 S CB 0.849 64.058 63.200 0.014 0.000 1.106 77 S HN -0.927 7.393 8.310 0.016 0.000 0.450 78 D N 5.246 125.657 120.400 0.017 0.000 3.041 78 D HA -0.252 4.398 4.640 0.017 0.000 0.214 78 D C -0.949 175.368 176.300 0.027 0.000 1.153 78 D CA 1.355 55.367 54.000 0.019 0.000 0.972 78 D CB -0.089 40.720 40.800 0.015 0.000 1.126 78 D HN 0.529 8.908 8.370 0.015 0.000 0.400 79 G N -3.543 105.275 108.800 0.031 0.000 2.298 79 G HA2 -0.381 3.606 3.960 0.045 0.000 0.287 79 G HA3 -0.381 3.609 3.960 0.051 0.000 0.287 79 G C -1.324 173.607 174.900 0.052 0.000 1.075 79 G CA 0.333 45.461 45.100 0.045 0.000 0.960 79 G HN 0.017 8.178 8.290 0.026 0.144 0.502 80 T N -3.927 110.648 114.554 0.036 0.000 2.838 80 T HA 1.050 5.589 4.350 0.056 -0.156 0.292 80 T C -1.799 172.909 174.700 0.013 0.000 1.113 80 T CA -2.233 59.889 62.100 0.036 0.000 1.008 80 T CB 3.495 72.382 68.868 0.031 0.000 1.259 80 T HN -0.558 7.699 8.240 0.027 0.000 0.520 81 L N -6.448 114.779 121.223 0.007 0.000 2.582 81 L HA 0.485 4.847 4.340 0.037 0.000 0.257 81 L C -2.049 174.831 176.870 0.016 0.000 0.974 81 L CA -0.715 54.117 54.840 -0.014 0.000 0.851 81 L CB 2.912 44.869 42.059 -0.169 0.000 1.424 81 L HN 0.057 8.304 8.230 0.028 0.000 0.412 82 D N -0.201 120.240 120.400 0.068 0.000 2.424 82 D HA -0.064 4.815 4.640 0.118 -0.168 0.244 82 D C 0.006 176.367 176.300 0.101 0.000 1.134 82 D CA 0.510 54.580 54.000 0.116 0.000 0.881 82 D CB 0.721 41.632 40.800 0.185 0.000 1.191 82 D HN 0.074 8.520 8.370 0.126 0.000 0.445 83 F N 6.633 126.621 119.950 0.064 0.000 2.243 83 F HA 0.024 4.594 4.527 0.071 0.000 0.287 83 F C 0.715 176.676 175.800 0.268 0.000 1.067 83 F CA 2.646 60.736 58.000 0.151 0.000 1.304 83 F CB 1.727 40.880 39.000 0.255 0.000 1.087 83 F HN 0.534 8.910 8.300 0.302 0.105 0.513 84 K N -0.588 120.015 120.400 0.338 0.000 2.034 84 K HA -0.487 4.061 4.320 0.381 0.000 0.214 84 K C 1.980 178.697 176.600 0.197 0.000 1.051 84 K CA 4.076 60.534 56.287 0.285 0.000 0.931 84 K CB -1.215 31.448 32.500 0.272 0.000 0.715 84 K HN -0.301 8.296 8.250 0.417 -0.096 0.446 85 E N -2.500 117.832 120.200 0.221 0.000 2.077 85 E HA -0.308 4.221 4.350 0.297 0.000 0.193 85 E C 1.952 178.718 176.600 0.276 0.000 0.989 85 E CA 3.301 59.881 56.400 0.299 0.000 0.800 85 E CB -0.470 29.475 29.700 0.408 0.000 0.746 85 E HN 0.390 8.884 8.360 0.223 0.000 0.452 86 Y N 0.735 120.971 120.300 -0.107 0.000 2.207 86 Y HA -0.403 3.988 4.550 -0.265 0.000 0.287 86 Y C 1.549 177.378 175.900 -0.118 0.000 1.156 86 Y CA 3.349 61.240 58.100 -0.349 0.000 1.182 86 Y CB -0.281 37.750 38.460 -0.715 0.000 0.979 86 Y HN -0.865 7.364 8.280 0.033 0.070 0.521 87 V N 0.288 120.255 119.914 0.088 0.000 2.229 87 V HA -0.518 3.788 4.120 0.309 0.000 0.243 87 V C 1.721 178.037 176.094 0.369 0.000 1.042 87 V CA 4.146 66.589 62.300 0.238 0.000 1.000 87 V CB -0.401 31.563 31.823 0.236 0.000 0.637 87 V HN 0.167 8.230 8.190 -0.057 0.092 0.446 88 I N -0.164 120.638 120.570 0.386 0.000 2.113 88 I HA -0.663 3.900 4.170 0.654 0.000 0.242 88 I C 1.899 178.195 176.117 0.299 0.000 1.064 88 I CA 4.544 66.114 61.300 0.449 0.000 1.320 88 I CB -0.401 37.828 38.000 0.382 0.000 1.028 88 I HN -0.178 8.223 8.210 0.319 0.000 0.406 89 A N -1.103 121.842 122.820 0.209 0.000 1.873 89 A HA -0.316 4.099 4.320 0.160 0.000 0.218 89 A C 1.225 178.817 177.584 0.014 0.000 1.193 89 A CA 2.919 55.028 52.037 0.120 0.000 0.629 89 A CB -0.480 18.594 19.000 0.125 0.000 0.826 89 A HN -0.065 8.225 8.150 0.223 -0.006 0.447 90 L N -2.331 118.844 121.223 -0.080 0.000 1.978 90 L HA -0.415 3.861 4.340 -0.106 0.000 0.218 90 L C 2.017 178.817 176.870 -0.117 0.000 1.075 90 L CA 2.872 57.642 54.840 -0.118 0.000 0.767 90 L CB -0.783 41.206 42.059 -0.116 0.000 0.890 90 L HN -0.362 7.728 8.230 -0.124 0.066 0.434 91 H N -3.317 115.679 119.070 -0.123 0.000 2.253 91 H HA -0.335 4.064 4.556 -0.261 0.000 0.296 91 H C 1.593 176.833 175.328 -0.146 0.000 1.067 91 H CA 3.590 59.480 56.048 -0.263 0.000 1.245 91 H CB 0.146 29.502 29.762 -0.678 0.000 1.364 91 H HN -0.134 8.212 8.280 0.111 0.000 0.494 92 M N -0.674 118.990 119.600 0.106 0.000 2.522 92 M HA -0.140 4.409 4.480 0.115 0.000 0.333 92 M C -0.439 175.875 176.300 0.024 0.000 1.632 92 M CA 1.286 56.660 55.300 0.124 0.000 1.293 92 M CB -0.929 31.818 32.600 0.246 0.000 1.857 92 M HN 0.056 8.455 8.290 0.182 0.000 0.456 93 T N 3.782 118.296 114.554 -0.067 0.000 5.283 93 T HA -0.239 3.897 4.350 -0.358 0.000 0.266 93 T C 0.292 174.817 174.700 -0.292 0.000 2.220 93 T CA 1.333 63.232 62.100 -0.335 0.000 3.809 93 T CB -1.056 67.468 68.868 -0.572 0.000 0.169 93 T HN 0.010 8.237 8.240 -0.023 0.000 0.539 94 S N 3.940 119.521 115.700 -0.199 0.000 2.528 94 S HA -0.288 3.995 4.470 -0.311 0.000 0.244 94 S C -0.704 173.779 174.600 -0.195 0.000 0.982 94 S CA 1.698 59.755 58.200 -0.238 0.000 0.953 94 S CB 0.329 63.393 63.200 -0.226 0.000 0.754 94 S HN -0.323 7.898 8.310 -0.148 0.000 0.529 95 A N -2.469 120.272 122.820 -0.132 0.000 1.614 95 A HA -0.138 4.165 4.320 -0.028 0.000 0.247 95 A C -0.980 176.568 177.584 -0.061 0.000 1.191 95 A CA 0.648 52.640 52.037 -0.075 0.000 0.602 95 A CB -0.944 18.001 19.000 -0.092 0.000 1.425 95 A HN -0.011 7.970 8.150 -0.122 0.096 0.217 96 G N 2.316 111.102 108.800 -0.024 0.000 2.500 96 G HA2 0.170 4.116 3.960 -0.025 0.000 0.299 96 G HA3 0.170 4.114 3.960 -0.028 0.000 0.299 96 G C -0.883 174.024 174.900 0.011 0.000 1.242 96 G CA -0.102 44.988 45.100 -0.018 0.000 0.859 96 G HN -0.060 8.230 8.290 -0.000 0.000 0.481 97 K N -0.892 119.517 120.400 0.016 0.000 2.213 97 K HA -0.032 4.306 4.320 0.030 0.000 0.243 97 K C 0.024 176.659 176.600 0.057 0.000 1.085 97 K CA 0.048 56.355 56.287 0.034 0.000 0.818 97 K CB -0.028 32.492 32.500 0.034 0.000 1.106 97 K HN 0.062 8.435 8.250 0.007 -0.120 0.520 98 T N -0.498 114.098 114.554 0.070 0.000 3.535 98 T HA 0.058 4.474 4.350 0.110 0.000 0.223 98 T C 1.318 176.096 174.700 0.131 0.000 0.933 98 T CA 2.458 64.618 62.100 0.101 0.000 1.445 98 T CB 0.415 69.336 68.868 0.088 0.000 1.286 98 T HN -0.150 8.126 8.240 0.060 0.000 0.436 99 N N 0.728 119.501 118.700 0.122 0.000 2.242 99 N HA -0.467 4.378 4.740 0.175 0.000 0.193 99 N C 1.819 177.416 175.510 0.144 0.000 1.000 99 N CA 3.166 56.298 53.050 0.138 0.000 0.885 99 N CB -1.034 37.512 38.487 0.099 0.000 0.988 99 N HN 0.237 8.677 8.380 0.100 0.000 0.444 100 Q N -0.895 118.976 119.800 0.118 0.000 2.030 100 Q HA -0.372 4.035 4.340 0.112 0.000 0.204 100 Q C 2.279 178.375 176.000 0.160 0.000 0.986 100 Q CA 3.160 59.031 55.803 0.113 0.000 0.843 100 Q CB -0.184 28.595 28.738 0.068 0.000 0.904 100 Q HN 0.216 8.492 8.270 0.100 0.054 0.420 101 K N -1.647 118.854 120.400 0.169 0.000 2.228 101 K HA -0.128 4.308 4.320 0.192 0.000 0.202 101 K C 2.383 179.204 176.600 0.367 0.000 1.051 101 K CA 1.499 57.927 56.287 0.235 0.000 0.960 101 K CB -0.296 32.320 32.500 0.194 0.000 0.743 101 K HN -0.110 8.228 8.250 0.146 0.000 0.458 102 L N -0.161 121.258 121.223 0.326 0.000 1.950 102 L HA -0.357 4.271 4.340 0.480 0.000 0.210 102 L C 1.812 178.798 176.870 0.192 0.000 1.079 102 L CA 3.647 58.711 54.840 0.374 0.000 0.754 102 L CB -0.722 41.604 42.059 0.446 0.000 0.889 102 L HN -0.289 8.002 8.230 0.271 0.101 0.433 103 E N -1.553 118.747 120.200 0.167 0.000 2.253 103 E HA -0.435 3.920 4.350 0.008 0.000 0.202 103 E C 2.356 179.027 176.600 0.117 0.000 1.014 103 E CA 3.135 59.589 56.400 0.091 0.000 0.823 103 E CB -0.375 29.384 29.700 0.098 0.000 0.736 103 E HN -0.299 8.177 8.360 0.194 0.000 0.478 104 W N -0.701 120.602 121.300 0.006 0.000 2.453 104 W HA -0.208 4.429 4.660 -0.038 0.000 0.289 104 W C 0.810 177.285 176.519 -0.073 0.000 1.215 104 W CA 3.635 60.959 57.345 -0.036 0.000 1.297 104 W CB 0.188 29.624 29.460 -0.040 0.000 1.113 104 W HN -0.619 7.636 8.180 0.353 0.136 0.551 105 A N -0.175 122.714 122.820 0.115 0.000 1.873 105 A HA -0.369 3.672 4.320 -0.465 0.000 0.215 105 A C 1.709 179.150 177.584 -0.238 0.000 1.186 105 A CA 2.888 54.864 52.037 -0.101 0.000 0.616 105 A CB -1.285 17.879 19.000 0.273 0.000 0.823 105 A HN 0.025 8.283 8.150 0.356 0.106 0.442 106 F N -1.683 117.985 119.950 -0.472 0.000 2.171 106 F HA -0.373 3.937 4.527 -0.362 0.000 0.300 106 F C 1.612 177.245 175.800 -0.278 0.000 1.090 106 F CA 2.955 60.665 58.000 -0.484 0.000 1.293 106 F CB 0.347 38.913 39.000 -0.722 0.000 1.013 106 F HN 0.211 8.360 8.300 -0.251 0.000 0.486 107 S N -1.242 114.423 115.700 -0.060 0.000 2.406 107 S HA -0.321 4.170 4.470 0.035 0.000 0.228 107 S C 1.362 175.743 174.600 -0.365 0.000 1.020 107 S CA 2.468 60.594 58.200 -0.123 0.000 0.965 107 S CB 0.032 63.163 63.200 -0.115 0.000 0.798 107 S HN -0.616 7.650 8.310 -0.062 0.007 0.488 108 L N 0.015 120.845 121.223 -0.654 0.000 2.083 108 L HA -0.251 3.672 4.340 -0.696 0.000 0.209 108 L C 1.064 177.559 176.870 -0.624 0.000 1.083 108 L CA 2.506 56.853 54.840 -0.822 0.000 0.752 108 L CB 0.093 41.336 42.059 -1.359 0.000 0.899 108 L HN -0.470 7.212 8.230 -0.721 0.116 0.433 109 Y N -6.643 113.434 120.300 -0.373 0.000 2.519 109 Y HA -0.151 4.287 4.550 -0.188 0.000 0.287 109 Y C 1.469 177.192 175.900 -0.295 0.000 1.128 109 Y CA 1.057 58.982 58.100 -0.292 0.000 1.282 109 Y CB 0.307 38.571 38.460 -0.327 0.000 1.027 109 Y HN -0.737 7.249 8.280 -0.470 0.012 0.551 110 D N -0.012 120.245 120.400 -0.237 0.000 2.885 110 D HA -0.053 4.484 4.640 -0.172 0.000 0.234 110 D C 0.613 176.866 176.300 -0.080 0.000 1.129 110 D CA -1.091 52.804 54.000 -0.174 0.000 0.991 110 D CB -1.756 38.964 40.800 -0.133 0.000 1.137 110 D HN -0.557 7.474 8.370 -0.314 0.151 0.459 111 V N -1.897 117.983 119.914 -0.055 0.000 2.271 111 V HA -0.311 3.799 4.120 -0.016 0.000 0.237 111 V C 0.177 176.268 176.094 -0.004 0.000 1.007 111 V CA 2.149 64.438 62.300 -0.018 0.000 1.007 111 V CB 0.045 31.869 31.823 0.002 0.000 0.656 111 V HN -0.259 7.808 8.190 -0.051 0.092 0.482 112 D N -1.014 119.386 120.400 0.000 0.000 2.351 112 D HA 0.111 4.757 4.640 0.010 0.000 0.235 112 D C -0.921 175.383 176.300 0.007 0.000 1.331 112 D CA 0.382 54.387 54.000 0.007 0.000 0.959 112 D CB 0.075 40.881 40.800 0.010 0.000 1.432 112 D HN -0.358 8.011 8.370 -0.001 0.000 0.544 113 G N 3.005 111.810 108.800 0.009 0.000 3.410 113 G HA2 0.031 3.997 3.960 0.010 0.000 0.127 113 G HA3 0.031 3.995 3.960 0.007 0.000 0.127 113 G C -0.603 174.307 174.900 0.018 0.000 1.332 113 G CA 1.400 46.506 45.100 0.011 0.000 1.156 113 G HN 0.402 8.699 8.290 0.011 0.000 0.591 114 N N 2.279 120.992 118.700 0.021 0.000 2.648 114 N HA 0.126 4.885 4.740 0.032 0.000 0.234 114 N C -0.194 175.347 175.510 0.052 0.000 1.034 114 N CA -0.218 52.852 53.050 0.034 0.000 1.205 114 N CB 1.511 40.019 38.487 0.035 0.000 1.573 114 N HN 0.196 8.585 8.380 0.014 0.000 0.615 115 G N -0.457 108.382 108.800 0.065 0.000 3.198 115 G HA2 -0.050 4.186 3.960 0.115 0.000 0.228 115 G HA3 -0.050 3.993 3.960 0.140 0.000 0.228 115 G C -2.095 172.934 174.900 0.215 0.000 1.499 115 G CA -0.295 44.883 45.100 0.130 0.000 1.104 115 G HN -0.044 8.276 8.290 0.049 0.000 0.563 116 T N -2.569 112.045 114.554 0.100 0.000 2.787 116 T HA 0.880 5.598 4.350 0.359 -0.153 0.297 116 T C -2.265 172.405 174.700 -0.051 0.000 1.221 116 T CA -1.761 60.420 62.100 0.135 0.000 1.006 116 T CB 3.238 72.186 68.868 0.134 0.000 1.328 116 T HN -0.752 7.504 8.240 0.027 0.000 0.509 117 I N -0.287 120.292 120.570 0.015 0.000 2.647 117 I HA 0.391 4.664 4.170 -0.111 -0.170 0.295 117 I C -2.183 174.005 176.117 0.118 0.000 1.078 117 I CA -1.896 59.377 61.300 -0.045 0.000 1.048 117 I CB 3.885 41.801 38.000 -0.139 0.000 1.239 117 I HN -0.079 8.233 8.210 0.171 0.000 0.421 118 S N 6.170 121.879 115.700 0.015 0.000 2.730 118 S HA 0.467 5.062 4.470 0.208 0.000 0.284 118 S C 0.695 175.109 174.600 -0.310 0.000 1.153 118 S CA -1.747 56.447 58.200 -0.010 0.000 0.995 118 S CB 2.169 65.317 63.200 -0.088 0.000 1.058 118 S HN 0.220 8.830 8.310 -0.076 -0.346 0.552 119 K N 3.161 122.990 120.400 -0.953 0.000 1.991 119 K HA -0.469 2.813 4.320 -1.730 0.000 0.212 119 K C 1.553 177.815 176.600 -0.565 0.000 1.049 119 K CA 4.815 60.253 56.287 -1.415 0.000 0.932 119 K CB -0.330 31.116 32.500 -1.756 0.000 0.717 119 K HN 0.719 8.477 8.250 -0.819 0.000 0.441 120 N N -2.703 115.749 118.700 -0.414 0.000 2.182 120 N HA -0.327 4.284 4.740 -0.215 0.000 0.192 120 N C 2.300 177.688 175.510 -0.203 0.000 1.007 120 N CA 3.158 56.064 53.050 -0.241 0.000 0.873 120 N CB -1.118 37.262 38.487 -0.178 0.000 0.998 120 N HN 0.333 8.452 8.380 -0.436 0.000 0.436 121 E N -0.579 119.471 120.200 -0.249 0.000 2.072 121 E HA -0.282 3.887 4.350 -0.303 0.000 0.191 121 E C 2.118 178.554 176.600 -0.273 0.000 0.985 121 E CA 2.789 58.987 56.400 -0.336 0.000 0.801 121 E CB -0.246 29.173 29.700 -0.469 0.000 0.750 121 E HN -0.647 7.425 8.360 -0.268 0.127 0.452 122 V N 0.436 120.269 119.914 -0.136 0.000 2.287 122 V HA -0.425 3.763 4.120 0.114 0.000 0.248 122 V C 1.929 178.049 176.094 0.045 0.000 1.053 122 V CA 3.555 65.888 62.300 0.055 0.000 1.027 122 V CB -0.571 31.378 31.823 0.211 0.000 0.646 122 V HN -0.156 7.842 8.190 -0.166 0.093 0.447 123 L N 0.426 121.635 121.223 -0.024 0.000 2.013 123 L HA -0.388 3.960 4.340 0.014 0.000 0.212 123 L C 1.647 178.529 176.870 0.021 0.000 1.073 123 L CA 3.393 58.226 54.840 -0.012 0.000 0.753 123 L CB -0.475 41.544 42.059 -0.067 0.000 0.890 123 L HN -0.123 8.052 8.230 -0.092 0.000 0.432 124 E N -1.152 119.051 120.200 0.004 0.000 2.114 124 E HA -0.481 3.906 4.350 0.061 0.000 0.199 124 E C 2.577 179.264 176.600 0.145 0.000 1.008 124 E CA 3.375 59.814 56.400 0.065 0.000 0.810 124 E CB -0.050 29.685 29.700 0.058 0.000 0.739 124 E HN -0.566 7.696 8.360 -0.048 0.069 0.456 125 I N -0.727 119.945 120.570 0.172 0.000 2.113 125 I HA -0.455 3.910 4.170 0.324 0.000 0.238 125 I C 2.128 178.383 176.117 0.229 0.000 1.070 125 I CA 4.314 65.775 61.300 0.269 0.000 1.332 125 I CB 0.103 38.297 38.000 0.323 0.000 1.044 125 I HN -0.482 7.706 8.210 0.099 0.082 0.402 126 V N -0.806 119.222 119.914 0.191 0.000 2.527 126 V HA -0.466 3.785 4.120 0.219 0.000 0.255 126 V C 2.576 178.774 176.094 0.173 0.000 1.081 126 V CA 3.761 66.168 62.300 0.179 0.000 1.092 126 V CB -1.422 30.472 31.823 0.118 0.000 0.673 126 V HN 0.002 8.296 8.190 0.174 0.000 0.470 127 T N 1.446 116.078 114.554 0.129 0.000 2.942 127 T HA -0.216 4.197 4.350 0.104 0.000 0.265 127 T C 1.311 176.086 174.700 0.125 0.000 1.062 127 T CA 4.421 66.585 62.100 0.107 0.000 1.139 127 T CB -0.646 68.259 68.868 0.061 0.000 0.883 127 T HN 0.338 8.511 8.240 0.119 0.139 0.468 128 A N 2.000 124.916 122.820 0.159 0.000 1.930 128 A HA -0.190 4.190 4.320 0.099 0.000 0.217 128 A C 1.592 179.261 177.584 0.142 0.000 1.175 128 A CA 2.862 54.995 52.037 0.160 0.000 0.627 128 A CB -0.712 18.438 19.000 0.250 0.000 0.815 128 A HN 0.086 8.196 8.150 0.182 0.149 0.443 129 I N -3.829 116.868 120.570 0.212 0.000 2.277 129 I HA -0.345 3.952 4.170 0.212 0.000 0.243 129 I C 1.420 177.670 176.117 0.222 0.000 1.094 129 I CA 2.241 63.693 61.300 0.253 0.000 1.393 129 I CB -1.296 36.920 38.000 0.360 0.000 1.078 129 I HN -0.553 7.798 8.210 0.235 0.000 0.417 130 F N 0.804 120.801 119.950 0.079 0.000 2.154 130 F HA -0.413 4.136 4.527 0.037 0.000 0.301 130 F C 1.756 177.547 175.800 -0.016 0.000 1.087 130 F CA 4.006 62.022 58.000 0.028 0.000 1.274 130 F CB 0.149 39.150 39.000 0.002 0.000 1.009 130 F HN -0.180 8.340 8.300 0.367 0.000 0.485 131 K N -3.637 116.812 120.400 0.083 0.000 2.155 131 K HA -0.190 4.095 4.320 -0.058 0.000 0.203 131 K C 1.116 177.594 176.600 -0.203 0.000 1.052 131 K CA 1.419 57.636 56.287 -0.116 0.000 0.948 131 K CB -0.151 32.175 32.500 -0.290 0.000 0.728 131 K HN -0.483 7.830 8.250 0.123 0.011 0.448 132 M N -2.080 117.441 119.600 -0.133 0.000 2.358 132 M HA -0.244 4.162 4.480 -0.125 0.000 0.264 132 M C 0.397 176.702 176.300 0.008 0.000 1.064 132 M CA 1.000 56.263 55.300 -0.062 0.000 1.093 132 M CB 0.286 32.907 32.600 0.035 0.000 1.401 132 M HN -0.826 7.312 8.290 -0.059 0.117 0.440 133 I N -1.613 118.948 120.570 -0.015 0.000 2.472 133 I HA -0.075 4.133 4.170 0.064 0.000 0.290 133 I C -1.306 174.767 176.117 -0.073 0.000 1.016 133 I CA -0.297 60.986 61.300 -0.028 0.000 1.348 133 I CB 0.890 38.787 38.000 -0.171 0.000 1.417 133 I HN -0.656 7.363 8.210 -0.047 0.163 0.521 134 S N 4.706 120.390 115.700 -0.026 0.000 2.565 134 S HA 0.219 4.665 4.470 -0.040 0.000 0.274 134 S C -0.629 173.932 174.600 -0.065 0.000 1.309 134 S CA -2.568 55.612 58.200 -0.032 0.000 1.043 134 S CB 0.350 63.559 63.200 0.015 0.000 0.939 134 S HN -0.046 8.271 8.310 0.012 0.000 0.504 135 P HA -0.149 4.248 4.420 -0.037 0.000 0.231 135 P C -0.366 176.924 177.300 -0.017 0.000 1.154 135 P CA 1.526 64.610 63.100 -0.028 0.000 0.762 135 P CB 0.077 31.775 31.700 -0.004 0.000 0.790 136 E N -2.745 117.438 120.200 -0.028 0.000 2.099 136 E HA -0.060 4.299 4.350 0.015 0.000 0.191 136 E C 1.297 177.856 176.600 -0.068 0.000 0.962 136 E CA 2.180 58.568 56.400 -0.020 0.000 0.826 136 E CB -0.137 29.549 29.700 -0.024 0.000 0.788 136 E HN -0.076 8.129 8.360 -0.035 0.134 0.461 137 D N -1.762 118.554 120.400 -0.139 0.000 2.363 137 D HA -0.033 4.270 4.640 -0.561 0.000 0.220 137 D C 1.395 177.608 176.300 -0.145 0.000 0.994 137 D CA 1.703 55.545 54.000 -0.262 0.000 0.890 137 D CB 0.055 40.737 40.800 -0.196 0.000 0.906 137 D HN -0.466 7.842 8.370 -0.102 0.000 0.530 138 T N 1.055 115.538 114.554 -0.117 0.000 2.995 138 T HA -0.222 3.975 4.350 -0.256 0.000 0.269 138 T C 0.551 175.251 174.700 -0.001 0.000 1.091 138 T CA 2.782 64.790 62.100 -0.153 0.000 1.128 138 T CB -0.244 68.500 68.868 -0.206 0.000 0.891 138 T HN -0.397 7.797 8.240 -0.102 -0.015 0.492 139 K N -1.967 118.488 120.400 0.093 0.000 2.432 139 K HA -0.209 4.159 4.320 0.081 0.000 0.196 139 K C 0.564 177.256 176.600 0.153 0.000 1.038 139 K CA 1.019 57.385 56.287 0.132 0.000 0.986 139 K CB -0.279 32.309 32.500 0.147 0.000 0.782 139 K HN -0.808 7.457 8.250 0.087 0.037 0.485 140 H N -3.203 115.845 119.070 -0.036 0.000 2.497 140 H HA -0.095 4.448 4.556 -0.022 0.000 0.282 140 H C 0.672 175.975 175.328 -0.043 0.000 1.003 140 H CA 0.528 56.556 56.048 -0.034 0.000 1.307 140 H CB 1.013 30.754 29.762 -0.035 0.000 1.437 140 H HN -0.687 7.606 8.280 0.316 0.177 0.544 141 L N 0.157 121.418 121.223 0.062 0.000 2.499 141 L HA -0.152 4.171 4.340 -0.029 0.000 0.281 141 L C -1.192 175.688 176.870 0.017 0.000 1.234 141 L CA -0.954 53.884 54.840 -0.003 0.000 0.839 141 L CB -1.151 40.885 42.059 -0.039 0.000 1.104 141 L HN -0.825 7.341 8.230 0.057 0.098 0.500 142 P HA -0.009 4.412 4.420 0.002 0.000 0.278 142 P C -0.487 176.828 177.300 0.025 0.000 1.270 142 P CA -0.425 62.680 63.100 0.008 0.000 0.800 142 P CB 0.603 32.303 31.700 0.000 0.000 1.142 143 E N -3.613 116.598 120.200 0.018 0.000 2.318 143 E HA -0.227 4.143 4.350 0.033 0.000 0.193 143 E C 0.443 177.056 176.600 0.023 0.000 0.998 143 E CA 1.800 58.214 56.400 0.023 0.000 0.859 143 E CB -0.075 29.632 29.700 0.012 0.000 0.812 143 E HN 0.196 8.563 8.360 0.010 0.000 0.492 144 D N -2.494 117.918 120.400 0.020 0.000 2.395 144 D HA -0.133 4.517 4.640 0.016 0.000 0.250 144 D C -0.451 175.864 176.300 0.024 0.000 1.203 144 D CA 0.919 54.931 54.000 0.020 0.000 0.872 144 D CB -1.279 39.534 40.800 0.020 0.000 0.941 144 D HN 0.316 8.696 8.370 0.017 0.000 0.504 145 E N -3.421 116.802 120.200 0.039 0.000 2.794 145 E HA 0.121 4.486 4.350 0.025 0.000 0.203 145 E C -0.935 175.702 176.600 0.062 0.000 0.953 145 E CA -1.155 55.284 56.400 0.066 0.000 1.284 145 E CB -0.129 29.650 29.700 0.132 0.000 1.077 145 E HN -0.541 7.698 8.360 0.044 0.147 0.508 146 N N 0.519 119.235 118.700 0.027 0.000 2.122 146 N HA -0.432 4.366 4.740 0.097 0.000 0.199 146 N C -0.512 174.893 175.510 -0.176 0.000 1.007 146 N CA 3.198 56.252 53.050 0.008 0.000 0.892 146 N CB 0.369 38.846 38.487 -0.018 0.000 1.050 146 N HN -0.474 7.920 8.380 0.024 0.000 0.468 147 T N -6.300 108.063 114.554 -0.319 0.000 2.853 147 T HA 0.327 4.013 4.350 -1.106 0.000 0.311 147 T C -2.113 172.290 174.700 -0.494 0.000 1.307 147 T CA -2.574 59.174 62.100 -0.588 0.000 1.019 147 T CB 1.662 70.344 68.868 -0.311 0.000 1.264 147 T HN -0.699 7.417 8.240 -0.201 0.004 0.497 148 P HA -0.098 4.194 4.420 -0.214 0.000 0.226 148 P C 0.786 177.996 177.300 -0.150 0.000 1.146 148 P CA 1.757 64.693 63.100 -0.273 0.000 0.773 148 P CB 0.001 31.584 31.700 -0.195 0.000 0.772 149 E N -0.500 119.604 120.200 -0.160 0.000 2.051 149 E HA -0.217 4.084 4.350 -0.082 0.000 0.189 149 E C 2.260 178.820 176.600 -0.067 0.000 0.979 149 E CA 3.052 59.393 56.400 -0.098 0.000 0.803 149 E CB -0.514 29.129 29.700 -0.095 0.000 0.761 149 E HN 0.507 8.660 8.360 -0.217 0.077 0.451 150 K N -0.890 119.464 120.400 -0.076 0.000 2.296 150 K HA -0.172 4.135 4.320 -0.022 0.000 0.200 150 K C 2.498 179.090 176.600 -0.014 0.000 1.048 150 K CA 2.652 58.916 56.287 -0.038 0.000 0.966 150 K CB 0.068 32.543 32.500 -0.042 0.000 0.754 150 K HN -0.521 7.662 8.250 -0.111 0.000 0.466 151 R N -0.906 119.572 120.500 -0.035 0.000 2.093 151 R HA -0.181 4.170 4.340 0.018 0.000 0.224 151 R C 1.435 177.759 176.300 0.039 0.000 1.101 151 R CA 3.176 59.276 56.100 0.001 0.000 0.979 151 R CB 0.137 30.425 30.300 -0.019 0.000 0.877 151 R HN -0.078 8.114 8.270 -0.082 0.029 0.441 152 A N -0.490 122.349 122.820 0.032 0.000 1.930 152 A HA -0.167 4.227 4.320 0.124 0.000 0.215 152 A C 1.678 179.343 177.584 0.135 0.000 1.176 152 A CA 2.849 54.937 52.037 0.084 0.000 0.632 152 A CB -0.410 18.608 19.000 0.031 0.000 0.819 152 A HN -0.333 7.712 8.150 -0.009 0.100 0.445 153 E N -1.021 119.227 120.200 0.081 0.000 2.058 153 E HA -0.431 3.999 4.350 0.134 0.000 0.194 153 E C 2.459 179.162 176.600 0.172 0.000 0.997 153 E CA 3.222 59.690 56.400 0.114 0.000 0.801 153 E CB -0.182 29.546 29.700 0.047 0.000 0.746 153 E HN -0.351 8.029 8.360 0.033 0.000 0.450 154 K N -0.799 119.675 120.400 0.123 0.000 2.009 154 K HA -0.288 4.072 4.320 0.066 0.000 0.210 154 K C 2.560 179.300 176.600 0.234 0.000 1.049 154 K CA 2.766 59.135 56.287 0.138 0.000 0.929 154 K CB -0.340 32.251 32.500 0.151 0.000 0.714 154 K HN -0.738 7.565 8.250 0.088 0.000 0.440 155 I N -0.773 119.910 120.570 0.189 0.000 2.248 155 I HA -0.521 3.584 4.170 -0.108 0.000 0.248 155 I C 1.392 177.570 176.117 0.101 0.000 1.107 155 I CA 3.840 65.141 61.300 0.002 0.000 1.373 155 I CB -0.132 37.856 38.000 -0.019 0.000 1.055 155 I HN -0.698 7.601 8.210 0.149 0.000 0.418 156 W N 0.137 121.531 121.300 0.156 0.000 2.381 156 W HA -0.347 4.651 4.660 0.564 0.000 0.301 156 W C 2.194 178.834 176.519 0.202 0.000 1.205 156 W CA 2.241 59.759 57.345 0.288 0.000 1.285 156 W CB 0.703 30.261 29.460 0.164 0.000 1.133 156 W HN 0.104 8.459 8.180 0.469 0.106 0.521 157 G N -4.793 104.122 108.800 0.192 0.000 2.776 157 G HA2 -0.274 3.682 3.960 -0.007 0.000 0.209 157 G HA3 -0.274 3.659 3.960 -0.045 0.000 0.209 157 G C 0.222 175.032 174.900 -0.150 0.000 1.145 157 G CA 0.868 45.961 45.100 -0.012 0.000 0.791 157 G HN -0.005 8.356 8.290 0.256 0.083 0.530 158 F N 0.922 120.815 119.950 -0.096 0.000 2.135 158 F HA -0.081 4.379 4.527 -0.112 0.000 0.280 158 F C -0.019 175.735 175.800 -0.078 0.000 1.109 158 F CA 2.771 60.671 58.000 -0.167 0.000 1.163 158 F CB 1.401 40.181 39.000 -0.366 0.000 1.062 158 F HN -0.787 7.432 8.300 0.106 0.145 0.496 159 F N -7.606 112.366 119.950 0.036 0.000 2.776 159 F HA 0.236 4.732 4.527 -0.051 0.000 0.300 159 F C 0.981 176.617 175.800 -0.273 0.000 1.116 159 F CA -2.766 55.169 58.000 -0.108 0.000 1.375 159 F CB -0.831 38.086 39.000 -0.138 0.000 1.109 159 F HN -0.648 7.593 8.300 -0.099 0.000 0.585 160 G N -0.164 108.640 108.800 0.006 0.000 2.408 160 G HA2 -0.161 3.382 3.960 -0.695 0.000 0.215 160 G HA3 -0.161 3.236 3.960 -1.111 -0.104 0.215 160 G C 0.021 174.748 174.900 -0.288 0.000 1.156 160 G CA 0.210 44.965 45.100 -0.575 0.000 0.793 160 G HN -0.396 7.973 8.290 0.211 0.048 0.535 161 K N -5.419 114.886 120.400 -0.158 0.000 3.445 161 K HA -0.387 3.890 4.320 -0.072 0.000 0.316 161 K C -1.366 175.192 176.600 -0.070 0.000 1.278 161 K CA 1.433 57.668 56.287 -0.088 0.000 0.976 161 K CB -1.997 30.467 32.500 -0.060 0.000 1.238 161 K HN -0.293 7.880 8.250 -0.127 0.000 0.430 162 K N -1.402 118.941 120.400 -0.095 0.000 2.615 162 K HA 0.133 4.464 4.320 0.019 0.000 0.249 162 K C -2.130 174.545 176.600 0.124 0.000 0.977 162 K CA -1.513 54.776 56.287 0.004 0.000 0.833 162 K CB 2.455 34.959 32.500 0.007 0.000 1.208 162 K HN -0.359 7.622 8.250 -0.206 0.146 0.443 163 D N 3.702 124.205 120.400 0.171 0.000 2.493 163 D HA -0.200 4.724 4.640 0.474 0.000 0.240 163 D C -0.819 175.681 176.300 0.334 0.000 1.142 163 D CA 1.004 55.182 54.000 0.296 0.000 0.872 163 D CB 0.333 41.228 40.800 0.158 0.000 1.173 163 D HN 0.143 8.576 8.370 0.105 0.000 0.467 164 D N -0.140 120.534 120.400 0.456 0.000 2.927 164 D HA -0.347 4.336 4.640 0.071 0.000 0.236 164 D C -1.281 175.214 176.300 0.326 0.000 1.163 164 D CA 1.409 55.557 54.000 0.246 0.000 0.801 164 D CB -1.087 39.761 40.800 0.080 0.000 0.975 164 D HN 0.381 9.073 8.370 0.537 0.000 0.413 165 D N -3.418 117.328 120.400 0.578 0.000 2.697 165 D HA 0.024 4.793 4.640 0.216 0.000 0.214 165 D C -1.634 174.898 176.300 0.388 0.000 1.252 165 D CA -0.860 53.344 54.000 0.340 0.000 1.090 165 D CB 2.623 43.528 40.800 0.175 0.000 1.203 165 D HN -0.282 8.755 8.370 1.112 0.000 0.626 166 K N -1.585 118.951 120.400 0.227 0.000 2.527 166 K HA 0.549 5.207 4.320 0.325 -0.143 0.260 166 K C -1.056 175.597 176.600 0.088 0.000 0.937 166 K CA -1.081 55.330 56.287 0.206 0.000 0.826 166 K CB 3.511 36.093 32.500 0.136 0.000 1.359 166 K HN -0.074 8.246 8.250 0.118 0.000 0.434 167 L N 2.250 123.558 121.223 0.141 0.000 2.346 167 L HA 0.411 4.727 4.340 -0.040 0.000 0.276 167 L C -0.646 176.396 176.870 0.288 0.000 1.006 167 L CA -1.126 53.767 54.840 0.088 0.000 0.817 167 L CB 3.087 45.167 42.059 0.036 0.000 1.272 167 L HN 0.241 8.609 8.230 0.229 0.000 0.421 168 T N -0.533 114.112 114.554 0.152 0.000 2.862 168 T HA 0.342 5.040 4.350 0.336 -0.146 0.276 168 T C 0.694 175.185 174.700 -0.349 0.000 0.974 168 T CA -2.248 59.923 62.100 0.118 0.000 0.966 168 T CB 1.622 70.496 68.868 0.011 0.000 1.072 168 T HN 0.095 8.358 8.240 0.039 0.000 0.538 169 E N 2.351 122.062 120.200 -0.815 0.000 2.033 169 E HA -0.550 1.356 4.350 -4.072 0.000 0.199 169 E C 1.708 177.872 176.600 -0.728 0.000 1.011 169 E CA 4.829 60.233 56.400 -1.660 0.000 0.815 169 E CB -0.136 29.119 29.700 -0.742 0.000 0.755 169 E HN 0.775 8.968 8.360 -0.278 0.000 0.451 170 K N -2.429 117.763 120.400 -0.346 0.000 1.991 170 K HA -0.303 3.934 4.320 -0.138 0.000 0.212 170 K C 2.514 179.057 176.600 -0.095 0.000 1.049 170 K CA 3.219 59.410 56.287 -0.161 0.000 0.932 170 K CB -1.177 31.266 32.500 -0.095 0.000 0.717 170 K HN 0.043 8.118 8.250 -0.291 0.000 0.441 171 E N -0.926 119.220 120.200 -0.090 0.000 2.095 171 E HA -0.309 4.019 4.350 -0.036 0.000 0.212 171 E C 2.157 178.743 176.600 -0.023 0.000 1.044 171 E CA 3.277 59.645 56.400 -0.055 0.000 0.857 171 E CB -0.633 29.022 29.700 -0.074 0.000 0.764 171 E HN -0.078 8.218 8.360 -0.107 0.000 0.462 172 F N -0.508 119.322 119.950 -0.200 0.000 2.063 172 F HA -0.406 3.972 4.527 -0.249 0.000 0.298 172 F C 1.812 177.614 175.800 0.003 0.000 1.109 172 F CA 3.353 61.279 58.000 -0.124 0.000 1.212 172 F CB 0.054 39.055 39.000 0.001 0.000 0.973 172 F HN -0.231 8.078 8.300 0.015 0.000 0.480 173 I N -1.406 119.373 120.570 0.348 0.000 2.090 173 I HA -0.432 3.982 4.170 0.407 0.000 0.236 173 I C 2.655 178.857 176.117 0.141 0.000 1.064 173 I CA 2.336 63.793 61.300 0.261 0.000 1.324 173 I CB -1.254 36.813 38.000 0.112 0.000 1.044 173 I HN -0.489 7.767 8.210 0.180 0.063 0.399 174 E N -1.446 118.800 120.200 0.077 0.000 2.331 174 E HA -0.288 4.093 4.350 0.051 0.000 0.199 174 E C 3.093 179.733 176.600 0.067 0.000 1.008 174 E CA 2.751 59.184 56.400 0.054 0.000 0.843 174 E CB -0.831 28.885 29.700 0.027 0.000 0.761 174 E HN 0.322 8.713 8.360 0.052 0.000 0.507 175 G N -0.811 108.047 108.800 0.096 0.000 2.394 175 G HA2 -0.190 3.860 3.960 0.151 0.000 0.215 175 G HA3 -0.190 3.983 3.960 0.321 -0.020 0.215 175 G C 0.959 175.930 174.900 0.117 0.000 1.165 175 G CA 2.234 47.443 45.100 0.180 0.000 0.784 175 G HN 0.413 8.574 8.290 0.089 0.183 0.535 176 T N 2.885 117.494 114.554 0.092 0.000 2.851 176 T HA -0.207 4.101 4.350 -0.071 0.000 0.262 176 T C 1.602 176.309 174.700 0.012 0.000 1.043 176 T CA 2.800 64.909 62.100 0.016 0.000 1.140 176 T CB 0.009 68.917 68.868 0.067 0.000 0.872 176 T HN -0.546 7.761 8.240 0.113 0.000 0.446 177 L N 0.180 121.432 121.223 0.047 0.000 2.056 177 L HA -0.217 4.141 4.340 0.030 0.000 0.207 177 L C 1.354 178.232 176.870 0.012 0.000 1.078 177 L CA 2.272 57.132 54.840 0.034 0.000 0.749 177 L CB -0.134 41.953 42.059 0.048 0.000 0.901 177 L HN -0.163 8.112 8.230 0.075 0.000 0.433 178 A N -2.331 120.499 122.820 0.016 0.000 1.858 178 A HA -0.187 4.139 4.320 0.009 0.000 0.216 178 A C 0.405 177.980 177.584 -0.015 0.000 1.190 178 A CA 1.904 53.946 52.037 0.008 0.000 0.617 178 A CB 0.293 19.307 19.000 0.022 0.000 0.827 178 A HN -0.469 7.594 8.150 0.030 0.105 0.443 179 N N -1.632 117.042 118.700 -0.043 0.000 2.426 179 N HA 0.042 4.740 4.740 -0.071 0.000 0.275 179 N C 0.255 175.671 175.510 -0.157 0.000 1.019 179 N CA -0.018 52.967 53.050 -0.109 0.000 0.941 179 N CB 1.024 39.403 38.487 -0.181 0.000 1.123 179 N HN -0.684 7.677 8.380 -0.032 0.000 0.486 180 K N 3.637 123.952 120.400 -0.141 0.000 2.167 180 K HA -0.228 4.033 4.320 -0.099 0.000 0.203 180 K C 1.493 177.968 176.600 -0.208 0.000 1.052 180 K CA 3.467 59.676 56.287 -0.130 0.000 0.956 180 K CB 0.119 32.570 32.500 -0.082 0.000 0.735 180 K HN 0.554 8.737 8.250 -0.111 0.000 0.451 181 E N -0.321 119.683 120.200 -0.327 0.000 2.012 181 E HA -0.327 3.854 4.350 -0.281 0.000 0.197 181 E C 2.123 178.423 176.600 -0.500 0.000 1.007 181 E CA 3.253 59.380 56.400 -0.455 0.000 0.816 181 E CB -0.876 28.334 29.700 -0.817 0.000 0.762 181 E HN 0.089 8.259 8.360 -0.317 0.000 0.451 182 I N -1.187 118.951 120.570 -0.719 0.000 2.113 182 I HA -0.560 3.250 4.170 -0.599 0.000 0.242 182 I C 1.796 177.739 176.117 -0.291 0.000 1.057 182 I CA 3.285 64.238 61.300 -0.579 0.000 1.314 182 I CB -0.233 37.371 38.000 -0.661 0.000 1.022 182 I HN -0.390 7.254 8.210 -0.943 0.000 0.408 183 L N -2.169 118.930 121.223 -0.206 0.000 2.081 183 L HA -0.365 3.960 4.340 -0.026 0.000 0.212 183 L C 1.818 178.659 176.870 -0.049 0.000 1.080 183 L CA 3.420 58.214 54.840 -0.076 0.000 0.754 183 L CB -0.354 41.674 42.059 -0.051 0.000 0.893 183 L HN -0.711 7.379 8.230 -0.241 -0.004 0.433 184 R N -4.720 115.723 120.500 -0.094 0.000 2.297 184 R HA -0.130 4.199 4.340 -0.019 0.000 0.197 184 R C 0.878 177.143 176.300 -0.059 0.000 0.943 184 R CA 1.765 57.829 56.100 -0.060 0.000 1.038 184 R CB -0.009 30.246 30.300 -0.075 0.000 0.957 184 R HN -0.195 7.863 8.270 -0.150 0.123 0.484 185 L N -2.541 118.627 121.223 -0.092 0.000 2.616 185 L HA -0.018 4.303 4.340 -0.032 0.000 0.229 185 L C 0.078 176.951 176.870 0.004 0.000 1.110 185 L CA 1.195 56.000 54.840 -0.059 0.000 0.884 185 L CB 0.807 42.794 42.059 -0.119 0.000 1.115 185 L HN -0.063 7.865 8.230 -0.143 0.217 0.481 186 I N -3.007 117.577 120.570 0.023 0.000 3.443 186 I HA -0.024 4.233 4.170 0.145 0.000 0.277 186 I C -0.574 175.654 176.117 0.185 0.000 1.169 186 I CA -0.997 60.375 61.300 0.121 0.000 1.419 186 I CB 2.523 40.593 38.000 0.116 0.000 1.331 186 I HN -0.328 7.717 8.210 -0.012 0.159 0.458 187 Q N 0.803 120.700 119.800 0.161 0.000 2.534 187 Q HA -0.089 4.402 4.340 0.252 0.000 0.223 187 Q C 0.389 176.546 176.000 0.262 0.000 1.239 187 Q CA -0.683 55.246 55.803 0.211 0.000 0.936 187 Q CB -0.996 27.843 28.738 0.169 0.000 1.457 187 Q HN -0.671 7.663 8.270 0.108 0.000 0.547 188 F N 3.858 123.866 119.950 0.096 0.000 2.976 188 F HA -0.516 4.061 4.527 0.083 0.000 0.231 188 F C -1.266 174.566 175.800 0.054 0.000 1.102 188 F CA 2.072 60.114 58.000 0.071 0.000 1.448 188 F CB -0.458 38.571 39.000 0.048 0.000 0.701 188 F HN -0.404 8.108 8.300 0.354 0.000 0.507 189 E N 0.000 119.947 120.200 -0.421 0.000 2.725 189 E HA 0.000 4.102 4.350 -0.414 0.000 0.291 189 E CA 0.000 56.202 56.400 -0.330 0.000 0.976 189 E CB 0.000 29.550 29.700 -0.250 0.000 0.812 189 E HN 0.000 8.150 8.360 -0.349 0.000 0.440