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 1on4_1_A DATA FIRST_RESID 1 DATA SEQUENCE HMLEIKDPLN YEVEPFTFQN QDGKNVSLES LKGEVWLADF IFTNCETICP DATA SEQUENCE PMTAHMTDLQ KKLKAENIDV RIISFSVDPE NDKPKQLKKF AANYPLSFDN DATA SEQUENCE WDFLTGYSQS EIEEFALKSF KAIVKKPEGE DQVIHQSSFY LVGPDGKVLK DATA SEQUENCE DYNGVENTPY DDIISDVKSA STLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 4.550 4.556 -0.010 0.000 0.296 1 H C 0.000 175.322 175.328 -0.010 0.000 0.993 1 H CA 0.000 56.042 56.048 -0.010 0.000 1.023 1 H CB 0.000 29.756 29.762 -0.010 0.000 1.292 2 M N 0.230 119.902 119.600 0.121 0.000 2.630 2 M HA 0.126 4.636 4.480 0.050 0.000 0.221 2 M C -0.314 176.004 176.300 0.031 0.000 2.115 2 M CA 0.338 55.672 55.300 0.056 0.000 1.630 2 M CB 1.391 34.012 32.600 0.036 0.000 1.514 2 M HN 0.439 8.801 8.290 0.120 0.000 0.782 3 L N 2.342 123.572 121.223 0.011 0.000 2.505 3 L HA -0.045 4.289 4.340 -0.011 0.000 0.275 3 L C -0.471 176.386 176.870 -0.023 0.000 1.264 3 L CA -0.333 54.501 54.840 -0.010 0.000 1.148 3 L CB -1.744 40.304 42.059 -0.019 0.000 1.377 3 L HN -0.185 8.052 8.230 0.012 0.000 0.442 4 E N 3.962 124.146 120.200 -0.028 0.000 3.374 4 E HA -0.502 3.805 4.350 -0.072 0.000 0.375 4 E C -1.358 175.177 176.600 -0.109 0.000 1.535 4 E CA 2.521 58.876 56.400 -0.076 0.000 1.664 4 E CB -0.063 29.585 29.700 -0.086 0.000 1.707 4 E HN 0.149 8.468 8.360 -0.010 0.035 0.469 5 I N 1.533 122.004 120.570 -0.166 0.000 2.517 5 I HA 0.034 4.163 4.170 -0.070 0.000 0.289 5 I C -0.754 175.322 176.117 -0.069 0.000 1.149 5 I CA 0.093 61.312 61.300 -0.135 0.000 1.189 5 I CB -1.303 36.571 38.000 -0.210 0.000 1.641 5 I HN 0.143 8.265 8.210 -0.147 0.000 0.560 6 K N 2.575 122.949 120.400 -0.043 0.000 1.651 6 K HA -0.315 3.985 4.320 -0.032 0.000 0.834 6 K C -1.780 174.787 176.600 -0.057 0.000 2.110 6 K CA 0.289 56.551 56.287 -0.042 0.000 1.429 6 K CB -0.650 31.827 32.500 -0.039 0.000 2.697 6 K HN 0.125 8.289 8.250 -0.034 0.066 0.201 7 D N -1.632 118.729 120.400 -0.066 0.000 2.551 7 D HA 0.245 4.841 4.640 -0.073 0.000 0.294 7 D C -1.858 174.392 176.300 -0.083 0.000 1.201 7 D CA -2.467 51.487 54.000 -0.078 0.000 0.941 7 D CB -0.582 40.166 40.800 -0.088 0.000 0.995 7 D HN 0.070 8.399 8.370 -0.068 0.000 0.502 8 P HA 0.044 4.427 4.420 -0.062 0.000 0.276 8 P C -0.831 176.435 177.300 -0.057 0.000 1.235 8 P CA -0.537 62.527 63.100 -0.060 0.000 0.772 8 P CB 0.857 32.528 31.700 -0.049 0.000 0.871 9 L N 1.019 122.215 121.223 -0.044 0.000 2.313 9 L HA 0.380 4.690 4.340 -0.049 0.000 0.268 9 L C -0.887 175.989 176.870 0.011 0.000 1.010 9 L CA -1.214 53.612 54.840 -0.023 0.000 0.814 9 L CB 1.575 43.637 42.059 0.005 0.000 1.304 9 L HN -0.526 7.679 8.230 -0.041 0.000 0.441 10 N N -1.609 117.112 118.700 0.035 0.000 2.635 10 N HA 0.145 5.008 4.740 0.077 -0.077 0.252 10 N C -1.545 174.046 175.510 0.136 0.000 1.589 10 N CA 0.010 53.100 53.050 0.066 0.000 0.828 10 N CB 1.335 39.839 38.487 0.028 0.000 1.403 10 N HN 0.189 8.582 8.380 0.022 0.000 0.518 11 Y N 3.531 123.869 120.300 0.063 0.000 2.595 11 Y HA 0.036 4.617 4.550 0.052 0.000 0.347 11 Y C -0.913 175.015 175.900 0.046 0.000 1.025 11 Y CA -2.593 55.552 58.100 0.075 0.000 1.295 11 Y CB -0.358 38.200 38.460 0.164 0.000 1.147 11 Y HN -0.420 8.074 8.280 0.281 -0.046 0.515 12 E N 8.553 128.919 120.200 0.277 0.000 2.265 12 E HA -0.040 4.546 4.350 0.123 -0.162 0.272 12 E C -0.482 176.138 176.600 0.034 0.000 1.067 12 E CA -0.025 56.456 56.400 0.136 0.000 0.900 12 E CB 0.059 29.830 29.700 0.117 0.000 1.017 12 E HN 0.135 8.670 8.360 0.292 0.000 0.431 13 V N 3.426 123.331 119.914 -0.015 0.000 2.339 13 V HA 0.118 4.069 4.120 -0.281 0.000 0.261 13 V C -0.822 175.330 176.094 0.096 0.000 1.058 13 V CA -1.894 60.345 62.300 -0.102 0.000 0.897 13 V CB -0.433 31.266 31.823 -0.206 0.000 1.052 13 V HN 0.454 8.675 8.190 0.052 0.000 0.480 14 E N 9.097 129.338 120.200 0.068 0.000 2.868 14 E HA -0.132 4.279 4.350 0.102 0.000 0.246 14 E C -1.524 175.205 176.600 0.214 0.000 0.962 14 E CA 0.175 56.648 56.400 0.123 0.000 0.955 14 E CB -1.007 28.740 29.700 0.079 0.000 0.903 14 E HN -0.145 8.204 8.360 -0.018 0.000 0.524 15 P HA -0.166 4.372 4.420 0.196 0.000 0.266 15 P C -1.447 175.938 177.300 0.141 0.000 1.193 15 P CA 0.758 63.948 63.100 0.149 0.000 0.770 15 P CB 0.632 32.380 31.700 0.079 0.000 0.836 16 F N 1.589 121.369 119.950 -0.283 0.000 2.926 16 F HA 0.162 4.447 4.527 -0.404 0.000 0.321 16 F C -2.322 172.916 175.800 -0.935 0.000 1.168 16 F CA -0.230 57.408 58.000 -0.602 0.000 0.890 16 F CB 2.678 41.222 39.000 -0.759 0.000 1.357 16 F HN -0.229 8.031 8.300 -0.066 0.000 0.468 17 T N 1.705 115.423 114.554 -1.393 0.000 2.824 17 T HA 0.471 4.486 4.350 -0.763 -0.123 0.282 17 T C -0.947 173.133 174.700 -1.033 0.000 0.993 17 T CA -0.437 61.044 62.100 -1.031 0.000 0.967 17 T CB 0.828 69.282 68.868 -0.690 0.000 0.960 17 T HN 0.077 6.953 8.240 -2.273 0.000 0.441 18 F N 4.185 124.037 119.950 -0.164 0.000 2.631 18 F HA 0.373 4.880 4.527 -0.033 0.000 0.328 18 F C -1.548 174.215 175.800 -0.062 0.000 1.067 18 F CA -1.494 56.460 58.000 -0.078 0.000 0.969 18 F CB 3.426 42.380 39.000 -0.077 0.000 1.332 18 F HN 0.986 9.061 8.300 -0.194 0.109 0.490 19 Q N -1.545 118.367 119.800 0.186 0.000 2.316 19 Q HA 0.555 5.113 4.340 0.080 -0.171 0.264 19 Q C -0.108 175.983 176.000 0.152 0.000 0.987 19 Q CA -1.371 54.501 55.803 0.116 0.000 0.852 19 Q CB 2.730 31.506 28.738 0.063 0.000 1.287 19 Q HN 0.271 8.687 8.270 0.244 0.000 0.448 20 N N 4.390 123.165 118.700 0.124 0.000 2.364 20 N HA 0.266 5.245 4.740 0.182 -0.129 0.264 20 N C 1.669 177.238 175.510 0.098 0.000 1.263 20 N CA -1.509 51.625 53.050 0.140 0.000 0.959 20 N CB 1.199 39.770 38.487 0.139 0.000 1.204 20 N HN 0.766 9.098 8.380 0.095 0.105 0.550 21 Q N -4.080 115.777 119.800 0.096 0.000 2.508 21 Q HA -0.247 4.096 4.340 0.004 0.000 0.214 21 Q C 1.051 176.977 176.000 -0.124 0.000 0.979 21 Q CA 2.346 58.136 55.803 -0.023 0.000 0.911 21 Q CB -1.212 27.480 28.738 -0.076 0.000 0.969 21 Q HN 0.649 9.030 8.270 0.185 0.000 0.504 22 D N -0.642 119.712 120.400 -0.076 0.000 2.349 22 D HA -0.003 4.563 4.640 -0.122 0.000 0.214 22 D C 0.737 177.018 176.300 -0.033 0.000 1.063 22 D CA -0.711 53.242 54.000 -0.077 0.000 0.847 22 D CB 0.141 40.911 40.800 -0.051 0.000 0.933 22 D HN -0.299 8.320 8.370 -0.013 -0.257 0.513 23 G N -0.573 108.222 108.800 -0.008 0.000 2.179 23 G HA2 -0.506 3.497 3.960 0.020 0.000 0.257 23 G HA3 -0.506 3.451 3.960 -0.004 0.000 0.257 23 G C -1.001 173.901 174.900 0.004 0.000 1.010 23 G CA 0.584 45.687 45.100 0.004 0.000 0.736 23 G HN 0.014 8.156 8.290 0.002 0.149 0.513 24 K N 0.461 120.869 120.400 0.012 0.000 2.185 24 K HA 0.223 4.541 4.320 -0.003 0.000 0.269 24 K C -1.232 175.378 176.600 0.017 0.000 0.987 24 K CA -1.945 54.348 56.287 0.009 0.000 0.865 24 K CB 1.859 34.368 32.500 0.015 0.000 1.090 24 K HN -0.167 8.406 8.250 0.021 -0.311 0.450 25 N N 5.482 124.178 118.700 -0.007 0.000 2.497 25 N HA 0.338 5.243 4.740 -0.011 -0.171 0.271 25 N C -0.417 175.086 175.510 -0.011 0.000 1.142 25 N CA 0.429 53.466 53.050 -0.022 0.000 0.965 25 N CB 0.478 38.927 38.487 -0.064 0.000 1.077 25 N HN 0.322 8.692 8.380 -0.018 0.000 0.462 26 V N 0.058 119.979 119.914 0.012 0.000 2.733 26 V HA 0.540 4.648 4.120 -0.019 0.000 0.306 26 V C -1.569 174.544 176.094 0.031 0.000 1.084 26 V CA -1.754 60.558 62.300 0.020 0.000 0.905 26 V CB 3.197 35.051 31.823 0.051 0.000 1.010 26 V HN 0.838 9.048 8.190 0.033 0.000 0.424 27 S N 3.526 119.199 115.700 -0.045 0.000 2.648 27 S HA 0.781 5.316 4.470 -0.116 -0.134 0.305 27 S C 0.674 175.240 174.600 -0.056 0.000 1.094 27 S CA -2.013 56.135 58.200 -0.087 0.000 0.983 27 S CB 2.688 65.788 63.200 -0.167 0.000 1.101 27 S HN -0.000 8.273 8.310 -0.062 0.000 0.514 28 L N 2.280 123.493 121.223 -0.017 0.000 2.189 28 L HA -0.370 3.836 4.340 -0.223 0.000 0.214 28 L C 1.345 178.167 176.870 -0.079 0.000 1.097 28 L CA 3.649 58.453 54.840 -0.060 0.000 0.764 28 L CB -0.144 41.969 42.059 0.091 0.000 0.900 28 L HN 0.114 8.349 8.230 0.009 0.000 0.436 29 E N -3.883 116.279 120.200 -0.063 0.000 2.108 29 E HA -0.443 3.889 4.350 -0.030 0.000 0.203 29 E C 0.905 177.467 176.600 -0.063 0.000 1.022 29 E CA 2.751 59.119 56.400 -0.053 0.000 0.823 29 E CB -0.515 29.147 29.700 -0.064 0.000 0.744 29 E HN 0.489 8.781 8.360 -0.070 0.026 0.456 30 S N -3.793 111.852 115.700 -0.093 0.000 2.555 30 S HA -0.156 4.278 4.470 -0.059 0.000 0.230 30 S C 0.427 174.950 174.600 -0.128 0.000 0.978 30 S CA 1.977 60.122 58.200 -0.091 0.000 0.934 30 S CB 0.681 63.831 63.200 -0.083 0.000 0.766 30 S HN -0.182 7.934 8.310 -0.104 0.131 0.533 31 L N -0.913 120.185 121.223 -0.209 0.000 2.803 31 L HA 0.300 4.506 4.340 -0.223 0.000 0.246 31 L C -0.199 176.628 176.870 -0.070 0.000 1.100 31 L CA -0.356 54.280 54.840 -0.340 0.000 0.919 31 L CB 1.708 43.119 42.059 -1.079 0.000 1.285 31 L HN 0.030 7.935 8.230 -0.200 0.205 0.522 32 K N 1.253 121.660 120.400 0.011 0.000 2.310 32 K HA -0.051 4.528 4.320 0.249 -0.110 0.290 32 K C 0.290 176.951 176.600 0.101 0.000 1.077 32 K CA 0.730 57.095 56.287 0.129 0.000 0.922 32 K CB -0.943 31.621 32.500 0.106 0.000 1.057 32 K HN -0.206 8.017 8.250 -0.044 0.000 0.479 33 G N 6.533 115.414 108.800 0.135 0.000 2.699 33 G HA2 -0.187 3.827 3.960 0.090 0.000 0.198 33 G HA3 -0.187 3.819 3.960 0.077 0.000 0.198 33 G C -0.795 174.181 174.900 0.128 0.000 1.033 33 G CA -0.050 45.112 45.100 0.103 0.000 0.728 33 G HN 0.294 8.600 8.290 0.192 0.099 0.484 34 E N -0.027 120.281 120.200 0.180 0.000 2.232 34 E HA 0.206 4.641 4.350 0.142 0.000 0.265 34 E C -1.543 175.237 176.600 0.299 0.000 1.001 34 E CA -1.759 54.763 56.400 0.202 0.000 0.870 34 E CB 1.751 31.555 29.700 0.172 0.000 1.175 34 E HN -0.498 7.789 8.360 0.177 0.180 0.407 35 V N 2.259 122.303 119.914 0.216 0.000 2.218 35 V HA 0.211 4.570 4.120 0.123 -0.166 0.261 35 V C -1.136 175.071 176.094 0.188 0.000 1.142 35 V CA -1.616 60.775 62.300 0.151 0.000 0.965 35 V CB 0.345 32.209 31.823 0.068 0.000 1.190 35 V HN 0.292 8.583 8.190 0.169 0.000 0.478 36 W N 6.686 128.023 121.300 0.061 0.000 2.496 36 W HA 0.314 4.994 4.660 0.034 0.000 0.327 36 W C -2.372 174.194 176.519 0.079 0.000 1.086 36 W CA -3.473 53.908 57.345 0.061 0.000 1.222 36 W CB 0.920 30.427 29.460 0.079 0.000 1.304 36 W HN 0.379 8.649 8.180 0.149 0.000 0.547 37 L N 1.330 122.673 121.223 0.199 0.000 2.399 37 L HA 0.642 5.091 4.340 -0.026 -0.125 0.266 37 L C -0.958 176.028 176.870 0.193 0.000 1.114 37 L CA -1.059 53.826 54.840 0.076 0.000 0.804 37 L CB 1.076 43.146 42.059 0.018 0.000 1.146 37 L HN -0.127 8.264 8.230 0.269 0.000 0.451 38 A N -1.131 121.786 122.820 0.162 0.000 2.515 38 A HA 1.057 5.827 4.320 0.346 -0.242 0.298 38 A C -2.404 175.274 177.584 0.156 0.000 1.059 38 A CA -1.269 50.920 52.037 0.253 0.000 0.698 38 A CB 4.166 23.336 19.000 0.282 0.000 1.289 38 A HN 1.034 9.183 8.150 0.157 0.095 0.404 39 D N -1.593 118.840 120.400 0.054 0.000 2.692 39 D HA 0.483 4.880 4.640 -0.405 0.000 0.303 39 D C -2.019 174.086 176.300 -0.326 0.000 1.278 39 D CA -0.718 53.119 54.000 -0.272 0.000 0.852 39 D CB 3.965 44.549 40.800 -0.360 0.000 1.375 39 D HN -0.146 8.320 8.370 0.160 0.000 0.453 40 F N -6.818 112.860 119.950 -0.453 0.000 2.650 40 F HA 0.903 5.334 4.527 -0.385 -0.135 0.310 40 F C -2.460 173.091 175.800 -0.416 0.000 1.112 40 F CA -1.207 56.442 58.000 -0.584 0.000 0.986 40 F CB 3.557 41.718 39.000 -1.399 0.000 1.285 40 F HN 0.046 7.614 8.300 -1.221 0.000 0.440 41 I N -4.089 116.343 120.570 -0.230 0.000 3.181 41 I HA 0.511 4.205 4.170 -0.795 0.000 0.311 41 I C -2.663 173.221 176.117 -0.389 0.000 1.287 41 I CA -2.047 58.962 61.300 -0.486 0.000 0.958 41 I CB 3.468 41.237 38.000 -0.383 0.000 1.294 41 I HN -0.006 8.182 8.210 -0.037 0.000 0.467 42 F N -2.292 117.606 119.950 -0.087 0.000 2.572 42 F HA 0.960 5.498 4.527 -0.104 -0.073 0.342 42 F C -1.048 174.551 175.800 -0.336 0.000 1.064 42 F CA -3.807 54.112 58.000 -0.135 0.000 1.008 42 F CB 2.392 41.361 39.000 -0.052 0.000 1.303 42 F HN -0.114 7.312 8.300 -1.456 0.000 0.492 43 T N -0.883 113.659 114.554 -0.019 0.000 4.096 43 T HA 0.181 4.510 4.350 -0.035 0.000 0.336 43 T C -2.161 172.513 174.700 -0.043 0.000 0.820 43 T CA 0.477 62.472 62.100 -0.173 0.000 0.986 43 T CB 0.597 69.007 68.868 -0.764 0.000 1.077 43 T HN 0.702 9.459 8.240 0.061 -0.479 0.466 44 N N 6.367 125.069 118.700 0.004 0.000 2.529 44 N HA 0.085 4.825 4.740 0.001 0.000 0.328 44 N C -1.234 174.266 175.510 -0.018 0.000 0.606 44 N CA 0.642 53.687 53.050 -0.008 0.000 1.182 44 N CB 0.222 38.699 38.487 -0.017 0.000 1.946 44 N HN 0.004 8.398 8.380 0.023 0.000 1.584 45 C N 1.335 120.601 119.300 -0.056 0.000 2.560 45 C HA 0.044 4.490 4.460 -0.024 0.000 0.334 45 C C -1.050 173.952 174.990 0.019 0.000 1.404 45 C CA -0.285 58.708 59.018 -0.043 0.000 2.410 45 C CB 0.544 28.220 27.740 -0.108 0.000 2.268 45 C HN 0.012 8.183 8.230 -0.099 0.000 0.673 46 E N -0.327 119.899 120.200 0.043 0.000 7.836 46 E HA -0.194 4.207 4.350 0.086 0.000 0.464 46 E C -1.431 175.233 176.600 0.107 0.000 0.603 46 E CA 0.847 57.307 56.400 0.101 0.000 1.065 46 E CB 0.214 30.017 29.700 0.171 0.000 0.978 46 E HN -0.091 8.282 8.360 0.021 0.000 0.262 47 T N 3.959 118.573 114.554 0.100 0.000 3.067 47 T HA 0.053 4.445 4.350 0.069 0.000 0.257 47 T C -0.546 174.214 174.700 0.100 0.000 1.105 47 T CA 0.298 62.446 62.100 0.080 0.000 1.104 47 T CB 0.373 69.269 68.868 0.048 0.000 0.925 47 T HN 0.156 8.460 8.240 0.106 0.000 0.498 48 I N 0.306 120.975 120.570 0.164 0.000 7.624 48 I HA -0.522 3.977 4.170 0.331 -0.130 0.126 48 I C -0.991 175.159 176.117 0.055 0.000 1.843 48 I CA 1.050 62.444 61.300 0.156 0.000 2.037 48 I CB -0.602 37.416 38.000 0.031 0.000 3.685 48 I HN 0.093 8.910 8.210 0.181 -0.499 0.169 49 C N 6.660 126.020 119.300 0.100 0.000 3.671 49 C HA 0.186 4.636 4.460 -0.016 0.000 0.401 49 C C -1.624 173.409 174.990 0.071 0.000 1.507 49 C CA 0.564 59.608 59.018 0.044 0.000 2.037 49 C CB 0.454 28.219 27.740 0.041 0.000 2.457 49 C HN 0.567 9.056 8.230 0.226 -0.123 0.471 50 P HA 0.216 4.669 4.420 0.054 0.000 0.271 50 P C -1.937 175.450 177.300 0.145 0.000 1.233 50 P CA -0.812 62.347 63.100 0.098 0.000 0.789 50 P CB -0.847 30.905 31.700 0.086 0.000 0.951 51 P HA 0.151 4.607 4.420 0.061 0.000 0.226 51 P C -1.264 176.022 177.300 -0.024 0.000 1.783 51 P CA -0.064 63.036 63.100 0.000 0.000 0.980 51 P CB -1.357 30.272 31.700 -0.118 0.000 1.967 52 M N 1.622 121.231 119.600 0.016 0.000 2.085 52 M HA -0.242 4.229 4.480 -0.015 0.000 0.258 52 M C 1.293 177.424 176.300 -0.282 0.000 1.089 52 M CA 5.072 60.299 55.300 -0.121 0.000 1.123 52 M CB 0.195 32.730 32.600 -0.108 0.000 1.284 52 M HN 0.071 8.399 8.290 0.197 0.080 0.421 53 T N -1.063 113.063 114.554 -0.712 0.000 3.100 53 T HA -0.040 4.194 4.350 -0.193 0.000 0.253 53 T C 0.869 175.494 174.700 -0.125 0.000 1.118 53 T CA 2.100 63.937 62.100 -0.438 0.000 1.058 53 T CB -1.187 67.200 68.868 -0.801 0.000 0.953 53 T HN 0.186 7.423 8.240 -1.672 0.000 0.515 54 A N 1.953 124.706 122.820 -0.113 0.000 1.917 54 A HA -0.351 4.010 4.320 0.068 0.000 0.219 54 A C 1.796 179.269 177.584 -0.186 0.000 1.182 54 A CA 3.049 55.028 52.037 -0.097 0.000 0.633 54 A CB -0.778 18.097 19.000 -0.209 0.000 0.819 54 A HN 0.304 8.376 8.150 -0.149 -0.012 0.448 55 H N -1.685 117.400 119.070 0.024 0.000 2.270 55 H HA -0.360 4.244 4.556 0.081 0.000 0.299 55 H C 2.425 177.843 175.328 0.150 0.000 1.077 55 H CA 3.777 59.868 56.048 0.071 0.000 1.294 55 H CB -0.335 29.453 29.762 0.043 0.000 1.371 55 H HN -0.325 7.644 8.280 -0.502 0.010 0.491 56 M N -1.234 118.447 119.600 0.136 0.000 2.089 56 M HA -0.460 4.129 4.480 0.182 0.000 0.257 56 M C 2.247 178.524 176.300 -0.039 0.000 1.071 56 M CA 3.692 58.997 55.300 0.009 0.000 1.096 56 M CB -0.848 31.669 32.600 -0.138 0.000 1.330 56 M HN 0.096 8.367 8.290 -0.032 0.000 0.403 57 T N 0.511 115.183 114.554 0.197 0.000 2.746 57 T HA -0.428 4.191 4.350 0.450 0.000 0.267 57 T C 1.573 176.341 174.700 0.114 0.000 1.039 57 T CA 5.319 67.575 62.100 0.259 0.000 1.142 57 T CB -0.831 68.173 68.868 0.227 0.000 0.866 57 T HN 0.225 8.388 8.240 0.198 0.196 0.444 58 D N 1.317 121.760 120.400 0.073 0.000 2.097 58 D HA -0.250 4.413 4.640 0.037 0.000 0.195 58 D C 2.342 178.658 176.300 0.027 0.000 0.989 58 D CA 3.344 57.371 54.000 0.046 0.000 0.827 58 D CB 0.306 41.133 40.800 0.045 0.000 0.966 58 D HN -0.017 8.209 8.370 0.072 0.187 0.456 59 L N 0.556 121.795 121.223 0.026 0.000 2.191 59 L HA -0.304 4.006 4.340 -0.049 0.000 0.212 59 L C 1.965 178.791 176.870 -0.072 0.000 1.103 59 L CA 2.892 57.708 54.840 -0.040 0.000 0.769 59 L CB -0.223 41.796 42.059 -0.066 0.000 0.908 59 L HN 0.379 8.550 8.230 0.082 0.108 0.438 60 Q N -1.539 118.216 119.800 -0.075 0.000 2.217 60 Q HA -0.457 3.816 4.340 -0.111 0.000 0.209 60 Q C 1.968 177.973 176.000 0.008 0.000 0.988 60 Q CA 3.028 58.806 55.803 -0.042 0.000 0.878 60 Q CB -0.520 28.270 28.738 0.086 0.000 0.909 60 Q HN 0.208 8.324 8.270 -0.063 0.115 0.424 61 K N -1.027 119.381 120.400 0.014 0.000 1.965 61 K HA -0.313 4.023 4.320 0.026 0.000 0.214 61 K C 2.458 179.057 176.600 -0.001 0.000 1.046 61 K CA 3.051 59.347 56.287 0.014 0.000 0.944 61 K CB -0.270 32.237 32.500 0.012 0.000 0.726 61 K HN -0.542 7.581 8.250 0.013 0.135 0.441 62 K N -0.345 120.044 120.400 -0.018 0.000 2.077 62 K HA -0.328 3.979 4.320 -0.021 0.000 0.213 62 K C 2.468 179.052 176.600 -0.026 0.000 1.051 62 K CA 2.553 58.822 56.287 -0.029 0.000 0.929 62 K CB -0.878 31.590 32.500 -0.054 0.000 0.715 62 K HN -0.422 7.815 8.250 -0.022 0.000 0.451 63 L N -1.072 120.130 121.223 -0.034 0.000 2.103 63 L HA -0.418 3.903 4.340 -0.031 0.000 0.215 63 L C 1.424 178.296 176.870 0.004 0.000 1.080 63 L CA 3.169 57.995 54.840 -0.024 0.000 0.764 63 L CB -0.985 41.052 42.059 -0.037 0.000 0.890 63 L HN 0.641 8.729 8.230 -0.047 0.114 0.435 64 K N -2.477 117.931 120.400 0.013 0.000 2.089 64 K HA -0.401 3.938 4.320 0.032 0.000 0.210 64 K C 1.932 178.543 176.600 0.017 0.000 1.048 64 K CA 2.855 59.155 56.287 0.023 0.000 0.926 64 K CB -0.685 31.829 32.500 0.024 0.000 0.714 64 K HN 0.029 8.152 8.250 0.010 0.132 0.448 65 A N -4.799 118.026 122.820 0.008 0.000 2.016 65 A HA -0.067 4.259 4.320 0.010 0.000 0.217 65 A C 1.132 178.721 177.584 0.008 0.000 1.162 65 A CA 2.080 54.121 52.037 0.007 0.000 0.662 65 A CB -0.089 18.910 19.000 -0.000 0.000 0.812 65 A HN -0.145 7.855 8.150 0.002 0.151 0.450 66 E N -3.072 117.132 120.200 0.006 0.000 2.400 66 E HA 0.055 4.412 4.350 0.010 0.000 0.195 66 E C 1.482 178.097 176.600 0.026 0.000 1.012 66 E CA 0.240 56.647 56.400 0.010 0.000 0.875 66 E CB -0.010 29.688 29.700 -0.003 0.000 0.859 66 E HN -0.335 7.840 8.360 0.003 0.187 0.498 67 N N -0.671 118.046 118.700 0.028 0.000 2.122 67 N HA -0.363 4.403 4.740 0.043 0.000 0.199 67 N C 1.323 176.861 175.510 0.046 0.000 1.007 67 N CA 2.733 55.806 53.050 0.039 0.000 0.892 67 N CB -0.603 37.907 38.487 0.039 0.000 1.050 67 N HN 0.101 8.345 8.380 0.022 0.149 0.468 68 I N -0.356 120.238 120.570 0.040 0.000 4.821 68 I HA -0.528 3.662 4.170 0.034 0.000 0.053 68 I C 0.952 177.095 176.117 0.042 0.000 0.637 68 I CA 2.995 64.319 61.300 0.040 0.000 0.403 68 I CB -0.408 37.616 38.000 0.040 0.000 0.420 68 I HN -0.060 8.139 8.210 0.034 0.032 0.163 69 D N -1.097 119.333 120.400 0.049 0.000 2.992 69 D HA 0.108 4.824 4.640 0.049 -0.046 0.372 69 D C -1.067 175.273 176.300 0.067 0.000 1.374 69 D CA -1.248 52.782 54.000 0.049 0.000 0.769 69 D CB -0.144 40.676 40.800 0.033 0.000 1.215 69 D HN 0.073 8.477 8.370 0.056 0.000 0.473 70 V N -1.955 118.012 119.914 0.088 0.000 2.530 70 V HA 0.207 4.436 4.120 0.182 0.000 0.282 70 V C -1.533 174.632 176.094 0.118 0.000 1.048 70 V CA -0.323 62.058 62.300 0.135 0.000 0.997 70 V CB 1.106 33.008 31.823 0.130 0.000 0.987 70 V HN -0.023 8.074 8.190 0.073 0.137 0.477 71 R N 4.161 124.754 120.500 0.155 0.000 2.807 71 R HA 0.257 4.657 4.340 0.099 0.000 0.276 71 R C -1.011 175.393 176.300 0.175 0.000 0.979 71 R CA -2.167 54.012 56.100 0.131 0.000 0.928 71 R CB 3.642 34.006 30.300 0.105 0.000 1.191 71 R HN 0.067 8.478 8.270 0.233 0.000 0.471 72 I N 3.060 123.661 120.570 0.052 0.000 2.291 72 I HA 0.172 4.580 4.170 0.105 -0.174 0.292 72 I C -1.893 174.261 176.117 0.063 0.000 1.064 72 I CA -0.751 60.525 61.300 -0.040 0.000 1.269 72 I CB 1.012 38.756 38.000 -0.426 0.000 1.418 72 I HN -0.233 7.987 8.210 0.017 0.000 0.485 73 I N 10.639 131.375 120.570 0.277 0.000 2.612 73 I HA 0.373 4.888 4.170 0.254 -0.193 0.295 73 I C -0.825 175.447 176.117 0.257 0.000 1.011 73 I CA -1.058 60.425 61.300 0.305 0.000 1.326 73 I CB 2.039 40.289 38.000 0.417 0.000 1.427 73 I HN 0.951 9.334 8.210 0.447 0.095 0.537 74 S N 5.231 121.059 115.700 0.213 0.000 2.571 74 S HA 0.435 5.280 4.470 0.150 -0.285 0.238 74 S C -0.608 174.195 174.600 0.338 0.000 1.153 74 S CA -0.395 57.900 58.200 0.158 0.000 1.141 74 S CB 0.982 64.091 63.200 -0.151 0.000 1.133 74 S HN 0.585 8.931 8.310 0.215 0.092 0.464 75 F N 4.006 124.139 119.950 0.306 0.000 2.380 75 F HA 0.535 5.371 4.527 0.234 -0.169 0.325 75 F C -0.926 175.053 175.800 0.298 0.000 1.136 75 F CA -2.796 55.373 58.000 0.283 0.000 1.171 75 F CB 0.721 39.883 39.000 0.270 0.000 1.230 75 F HN 0.362 8.836 8.300 0.291 0.000 0.554 76 S N 0.599 116.643 115.700 0.573 0.000 2.528 76 S HA 0.101 4.859 4.470 0.292 -0.112 0.277 76 S C 0.120 174.982 174.600 0.436 0.000 1.297 76 S CA 1.035 59.466 58.200 0.386 0.000 1.052 76 S CB 0.208 63.576 63.200 0.280 0.000 0.917 76 S HN 0.048 8.668 8.310 0.517 0.000 0.492 77 V N 4.703 124.794 119.914 0.295 0.000 2.904 77 V HA -0.007 4.312 4.120 0.332 0.000 0.305 77 V C -0.375 175.871 176.094 0.252 0.000 1.067 77 V CA -0.892 61.580 62.300 0.287 0.000 1.044 77 V CB 1.352 33.305 31.823 0.217 0.000 1.050 77 V HN 0.163 8.380 8.190 0.189 0.086 0.475 78 D N 1.991 122.528 120.400 0.229 0.000 4.088 78 D HA -0.234 4.480 4.640 0.124 0.000 0.187 78 D C -0.351 176.015 176.300 0.109 0.000 1.259 78 D CA 0.697 54.785 54.000 0.148 0.000 0.702 78 D CB -0.098 40.775 40.800 0.123 0.000 1.019 78 D HN 0.404 8.923 8.370 0.248 0.000 0.498 79 P HA -0.183 4.292 4.420 0.092 0.000 0.222 79 P C 1.289 178.596 177.300 0.012 0.000 1.147 79 P CA 1.792 64.938 63.100 0.077 0.000 0.790 79 P CB 0.356 32.115 31.700 0.098 0.000 0.780 80 E N -1.871 118.319 120.200 -0.018 0.000 2.031 80 E HA -0.419 3.873 4.350 -0.097 0.000 0.193 80 E C 1.992 178.578 176.600 -0.023 0.000 0.994 80 E CA 3.411 59.779 56.400 -0.054 0.000 0.800 80 E CB -0.447 29.215 29.700 -0.063 0.000 0.752 80 E HN -0.314 8.149 8.360 0.000 -0.103 0.447 81 N N -1.256 117.443 118.700 -0.002 0.000 2.173 81 N HA -0.221 4.515 4.740 -0.006 0.000 0.184 81 N C 2.479 177.995 175.510 0.011 0.000 1.025 81 N CA 2.532 55.583 53.050 0.001 0.000 0.852 81 N CB -0.408 38.079 38.487 -0.001 0.000 0.998 81 N HN -0.674 7.878 8.380 0.009 -0.166 0.427 82 D N 0.600 121.018 120.400 0.029 0.000 2.081 82 D HA -0.153 4.499 4.640 0.020 0.000 0.194 82 D C 0.282 176.596 176.300 0.023 0.000 0.986 82 D CA 2.762 56.781 54.000 0.031 0.000 0.837 82 D CB 0.573 41.409 40.800 0.060 0.000 0.985 82 D HN -0.122 8.275 8.370 0.044 0.000 0.448 83 K N -6.954 113.467 120.400 0.034 0.000 6.222 83 K HA -0.254 4.176 4.320 0.046 -0.082 0.588 83 K C -1.469 175.155 176.600 0.041 0.000 2.571 83 K CA -0.236 56.072 56.287 0.036 0.000 2.013 83 K CB -1.559 30.953 32.500 0.021 0.000 2.494 83 K HN -0.283 7.918 8.250 0.048 0.078 0.241 84 P HA -0.198 4.257 4.420 0.058 0.000 0.219 84 P C 1.335 178.638 177.300 0.004 0.000 1.146 84 P CA 2.211 65.338 63.100 0.045 0.000 0.808 84 P CB 0.330 32.067 31.700 0.061 0.000 0.779 85 K N -2.587 117.817 120.400 0.007 0.000 2.113 85 K HA -0.443 3.872 4.320 -0.007 0.000 0.208 85 K C 2.162 178.764 176.600 0.003 0.000 1.047 85 K CA 4.005 60.293 56.287 0.001 0.000 0.928 85 K CB -0.936 31.569 32.500 0.007 0.000 0.716 85 K HN 0.111 8.347 8.250 0.017 0.024 0.446 86 Q N -1.164 118.636 119.800 -0.000 0.000 2.079 86 Q HA -0.230 4.117 4.340 0.012 0.000 0.200 86 Q C 2.493 178.474 176.000 -0.031 0.000 0.974 86 Q CA 2.647 58.446 55.803 -0.008 0.000 0.840 86 Q CB -0.265 28.463 28.738 -0.016 0.000 0.898 86 Q HN -0.033 8.098 8.270 0.003 0.141 0.430 87 L N -0.676 120.505 121.223 -0.069 0.000 2.042 87 L HA -0.461 3.769 4.340 -0.183 0.000 0.210 87 L C 2.351 179.148 176.870 -0.121 0.000 1.076 87 L CA 3.657 58.410 54.840 -0.146 0.000 0.749 87 L CB -0.788 41.172 42.059 -0.165 0.000 0.893 87 L HN -0.602 7.535 8.230 -0.041 0.069 0.432 88 K N -0.799 119.568 120.400 -0.054 0.000 2.009 88 K HA -0.393 4.006 4.320 0.132 0.000 0.210 88 K C 2.053 178.693 176.600 0.067 0.000 1.049 88 K CA 3.363 59.671 56.287 0.035 0.000 0.929 88 K CB -0.439 32.061 32.500 -0.000 0.000 0.714 88 K HN 0.295 8.337 8.250 -0.050 0.178 0.440 89 K N -0.957 119.479 120.400 0.061 0.000 2.074 89 K HA -0.352 4.005 4.320 0.061 0.000 0.209 89 K C 1.916 178.603 176.600 0.145 0.000 1.048 89 K CA 3.270 59.606 56.287 0.081 0.000 0.926 89 K CB -0.010 32.531 32.500 0.068 0.000 0.713 89 K HN -0.317 7.847 8.250 0.039 0.109 0.444 90 F N -1.511 118.423 119.950 -0.026 0.000 2.134 90 F HA -0.336 4.242 4.527 0.085 0.000 0.299 90 F C 0.809 176.607 175.800 -0.003 0.000 1.097 90 F CA 3.066 61.080 58.000 0.024 0.000 1.264 90 F CB 0.381 39.387 39.000 0.009 0.000 1.001 90 F HN -0.054 8.273 8.300 0.222 0.107 0.479 91 A N -1.134 121.697 122.820 0.019 0.000 2.015 91 A HA -0.215 3.894 4.320 -0.352 0.000 0.219 91 A C 1.367 178.849 177.584 -0.170 0.000 1.163 91 A CA 2.455 54.340 52.037 -0.255 0.000 0.646 91 A CB -0.815 17.914 19.000 -0.453 0.000 0.806 91 A HN 0.424 8.426 8.150 0.068 0.189 0.448 92 A N -4.989 117.803 122.820 -0.047 0.000 2.168 92 A HA -0.230 4.061 4.320 -0.048 0.000 0.215 92 A C 0.482 178.025 177.584 -0.070 0.000 1.152 92 A CA 1.658 53.674 52.037 -0.036 0.000 0.716 92 A CB -0.266 18.742 19.000 0.013 0.000 0.794 92 A HN 0.130 8.174 8.150 0.013 0.114 0.465 93 N N -2.525 116.117 118.700 -0.096 0.000 2.622 93 N HA 0.003 4.644 4.740 -0.164 0.000 0.213 93 N C 0.367 175.661 175.510 -0.361 0.000 1.037 93 N CA 0.886 53.822 53.050 -0.189 0.000 0.999 93 N CB 1.631 40.031 38.487 -0.146 0.000 1.342 93 N HN -0.308 7.820 8.380 -0.068 0.212 0.465 94 Y N 1.790 121.889 120.300 -0.335 0.000 2.713 94 Y HA 0.016 4.402 4.550 -0.273 0.000 0.341 94 Y C -1.156 174.588 175.900 -0.260 0.000 1.167 94 Y CA -0.897 56.992 58.100 -0.352 0.000 1.503 94 Y CB -0.317 37.792 38.460 -0.585 0.000 1.199 94 Y HN 0.058 8.194 8.280 -0.239 0.000 0.525 95 P HA 0.002 4.350 4.420 -0.120 0.000 0.249 95 P C -1.480 175.786 177.300 -0.057 0.000 1.737 95 P CA -0.153 62.889 63.100 -0.097 0.000 1.128 95 P CB -1.170 30.480 31.700 -0.083 0.000 1.942 96 L N 1.237 122.385 121.223 -0.123 0.000 2.335 96 L HA 0.454 4.844 4.340 0.083 0.000 0.268 96 L C -1.326 175.428 176.870 -0.194 0.000 1.016 96 L CA -1.988 52.795 54.840 -0.096 0.000 0.805 96 L CB 1.620 43.531 42.059 -0.246 0.000 1.311 96 L HN -0.349 7.717 8.230 -0.200 0.044 0.456 97 S N -0.416 115.260 115.700 -0.039 0.000 2.640 97 S HA 0.268 4.686 4.470 -0.088 0.000 0.320 97 S C 0.034 174.679 174.600 0.075 0.000 1.097 97 S CA -1.048 57.150 58.200 -0.003 0.000 1.092 97 S CB 0.982 64.256 63.200 0.123 0.000 0.988 97 S HN -0.094 8.342 8.310 0.210 0.000 0.470 98 F N 5.730 125.794 119.950 0.191 0.000 2.307 98 F HA -0.316 4.395 4.527 0.306 0.000 0.301 98 F C 1.684 177.635 175.800 0.252 0.000 1.076 98 F CA 2.311 60.449 58.000 0.230 0.000 1.383 98 F CB -0.584 38.499 39.000 0.139 0.000 1.055 98 F HN 0.868 9.040 8.300 -0.213 0.000 0.526 99 D N -0.238 120.365 120.400 0.339 0.000 5.591 99 D HA -0.445 4.315 4.640 0.200 0.000 0.357 99 D C 0.273 176.713 176.300 0.232 0.000 1.674 99 D CA 3.018 57.162 54.000 0.240 0.000 1.017 99 D CB -0.529 40.389 40.800 0.196 0.000 0.725 99 D HN 0.185 8.694 8.370 0.296 0.039 0.843 100 N N -1.366 117.497 118.700 0.271 0.000 2.620 100 N HA 0.084 4.947 4.740 0.205 0.000 0.277 100 N C -2.398 173.282 175.510 0.284 0.000 1.726 100 N CA 0.005 53.189 53.050 0.223 0.000 0.840 100 N CB 1.582 40.153 38.487 0.141 0.000 1.379 100 N HN -0.333 8.232 8.380 0.330 0.013 0.506 101 W N 1.888 123.283 121.300 0.159 0.000 2.802 101 W HA 0.554 5.430 4.660 0.069 -0.175 0.331 101 W C -2.380 174.260 176.519 0.202 0.000 1.021 101 W CA -1.991 55.432 57.345 0.131 0.000 1.259 101 W CB 2.098 31.632 29.460 0.125 0.000 1.323 101 W HN 0.494 8.876 8.180 0.483 0.088 0.432 102 D N 9.201 129.888 120.400 0.479 0.000 2.479 102 D HA 0.284 5.136 4.640 0.353 0.000 0.218 102 D C -1.501 174.998 176.300 0.331 0.000 1.131 102 D CA -0.897 53.310 54.000 0.345 0.000 0.916 102 D CB 0.652 41.576 40.800 0.205 0.000 1.022 102 D HN 0.397 9.011 8.370 0.407 0.000 0.515 103 F N 3.325 123.470 119.950 0.326 0.000 2.471 103 F HA 0.047 4.963 4.527 0.328 -0.192 0.365 103 F C -0.544 175.379 175.800 0.205 0.000 1.095 103 F CA 0.648 58.804 58.000 0.261 0.000 1.174 103 F CB 0.216 39.327 39.000 0.185 0.000 1.105 103 F HN -0.339 8.352 8.300 0.653 0.000 0.535 104 L N 3.028 124.474 121.223 0.372 0.000 2.309 104 L HA 0.471 5.080 4.340 0.231 -0.130 0.282 104 L C 1.574 178.615 176.870 0.284 0.000 1.036 104 L CA -1.092 53.903 54.840 0.259 0.000 0.806 104 L CB 1.307 43.421 42.059 0.092 0.000 1.220 104 L HN 0.534 8.879 8.230 0.401 0.126 0.429 105 T N 2.668 117.370 114.554 0.246 0.000 2.588 105 T HA -0.193 4.295 4.350 0.231 0.000 0.261 105 T C 1.767 176.626 174.700 0.265 0.000 1.069 105 T CA 1.948 64.196 62.100 0.247 0.000 1.172 105 T CB 0.364 69.378 68.868 0.244 0.000 0.863 105 T HN 0.857 9.233 8.240 0.227 0.000 0.408 106 G N -0.256 108.716 108.800 0.287 0.000 2.363 106 G HA2 -0.353 3.817 3.960 0.350 0.000 0.238 106 G HA3 -0.353 3.732 3.960 0.208 0.000 0.238 106 G C -0.972 174.129 174.900 0.335 0.000 1.062 106 G CA -0.383 44.886 45.100 0.282 0.000 0.629 106 G HN 0.249 8.723 8.290 0.307 0.000 0.514 107 Y N -1.188 119.192 120.300 0.134 0.000 2.675 107 Y HA -0.347 4.260 4.550 0.095 0.000 0.443 107 Y C -1.263 174.690 175.900 0.087 0.000 1.485 107 Y CA 0.253 58.415 58.100 0.103 0.000 1.848 107 Y CB -0.102 38.417 38.460 0.098 0.000 1.869 107 Y HN -0.894 7.452 8.280 0.297 0.113 0.452 108 S N -0.162 115.405 115.700 -0.222 0.000 2.550 108 S HA -0.161 4.187 4.470 -0.203 0.000 0.285 108 S C 1.105 175.707 174.600 0.002 0.000 1.326 108 S CA 0.353 58.456 58.200 -0.162 0.000 1.037 108 S CB 0.762 63.856 63.200 -0.177 0.000 0.838 108 S HN -0.176 7.769 8.310 -0.608 0.000 0.519 109 Q N 3.634 123.433 119.800 -0.001 0.000 2.226 109 Q HA -0.304 4.060 4.340 0.040 0.000 0.204 109 Q C 2.202 178.214 176.000 0.020 0.000 0.975 109 Q CA 3.787 59.605 55.803 0.024 0.000 0.866 109 Q CB -0.665 28.089 28.738 0.026 0.000 0.915 109 Q HN 0.734 8.989 8.270 -0.025 0.000 0.440 110 S N -0.396 115.316 115.700 0.022 0.000 2.374 110 S HA -0.396 4.280 4.470 0.013 -0.198 0.227 110 S C 1.840 176.458 174.600 0.031 0.000 1.037 110 S CA 3.159 61.375 58.200 0.026 0.000 1.024 110 S CB -0.458 62.764 63.200 0.037 0.000 0.861 110 S HN 0.172 8.474 8.310 0.015 0.017 0.456 111 E N 0.426 120.668 120.200 0.070 0.000 2.028 111 E HA -0.261 4.112 4.350 0.038 0.000 0.190 111 E C 2.067 178.660 176.600 -0.011 0.000 0.984 111 E CA 2.151 58.592 56.400 0.068 0.000 0.800 111 E CB -0.060 29.768 29.700 0.215 0.000 0.758 111 E HN -0.407 7.877 8.360 0.090 0.130 0.448 112 I N -0.229 120.365 120.570 0.039 0.000 2.335 112 I HA -0.433 3.792 4.170 0.093 0.000 0.251 112 I C 1.640 177.724 176.117 -0.056 0.000 1.129 112 I CA 2.134 63.453 61.300 0.031 0.000 1.402 112 I CB -0.473 37.561 38.000 0.057 0.000 1.069 112 I HN 0.260 8.514 8.210 0.074 0.000 0.424 113 E N -0.270 119.898 120.200 -0.053 0.000 2.007 113 E HA -0.530 3.774 4.350 -0.075 0.000 0.203 113 E C 1.798 178.322 176.600 -0.127 0.000 1.020 113 E CA 3.955 60.310 56.400 -0.075 0.000 0.845 113 E CB -0.546 29.131 29.700 -0.039 0.000 0.779 113 E HN 0.370 8.588 8.360 -0.021 0.129 0.466 114 E N -1.181 118.951 120.200 -0.112 0.000 2.070 114 E HA -0.368 3.920 4.350 -0.102 0.000 0.197 114 E C 1.996 178.491 176.600 -0.175 0.000 1.004 114 E CA 2.779 59.106 56.400 -0.121 0.000 0.805 114 E CB -0.209 29.435 29.700 -0.094 0.000 0.744 114 E HN -0.267 8.040 8.360 -0.089 0.000 0.451 115 F N 0.600 120.345 119.950 -0.340 0.000 2.024 115 F HA -0.466 3.850 4.527 -0.352 0.000 0.296 115 F C 1.613 177.202 175.800 -0.352 0.000 1.137 115 F CA 2.769 60.536 58.000 -0.388 0.000 1.200 115 F CB -0.653 38.048 39.000 -0.498 0.000 0.954 115 F HN -0.863 7.347 8.300 -0.150 0.000 0.497 116 A N -1.986 120.202 122.820 -1.054 0.000 2.014 116 A HA -0.212 3.213 4.320 -1.492 0.000 0.218 116 A C 2.380 179.648 177.584 -0.525 0.000 1.163 116 A CA 2.583 54.019 52.037 -1.001 0.000 0.652 116 A CB -0.668 17.963 19.000 -0.614 0.000 0.808 116 A HN 0.377 8.152 8.150 -0.625 0.000 0.449 117 L N -0.137 120.880 121.223 -0.343 0.000 1.948 117 L HA -0.376 3.887 4.340 -0.128 0.000 0.212 117 L C 2.353 179.109 176.870 -0.191 0.000 1.074 117 L CA 3.112 57.840 54.840 -0.187 0.000 0.753 117 L CB -1.260 40.728 42.059 -0.117 0.000 0.888 117 L HN 0.555 8.562 8.230 -0.331 0.024 0.432 118 K N -1.380 118.894 120.400 -0.210 0.000 2.034 118 K HA -0.332 3.956 4.320 -0.054 0.000 0.214 118 K C 2.346 178.772 176.600 -0.290 0.000 1.051 118 K CA 2.760 58.952 56.287 -0.158 0.000 0.931 118 K CB -0.234 32.190 32.500 -0.127 0.000 0.715 118 K HN 0.100 8.217 8.250 -0.222 0.000 0.446 119 S N -2.652 112.698 115.700 -0.582 0.000 2.343 119 S HA -0.239 3.752 4.470 -0.798 0.000 0.219 119 S C 0.365 174.229 174.600 -1.227 0.000 1.033 119 S CA 3.082 60.682 58.200 -1.001 0.000 1.014 119 S CB 0.792 63.126 63.200 -1.444 0.000 0.915 119 S HN 0.015 7.961 8.310 -0.606 0.000 0.435 120 F N -7.178 112.329 119.950 -0.738 0.000 2.915 120 F HA 0.223 4.243 4.527 -0.844 0.000 0.347 120 F C -1.720 173.977 175.800 -0.171 0.000 1.104 120 F CA -1.469 56.167 58.000 -0.606 0.000 1.126 120 F CB 2.162 40.802 39.000 -0.599 0.000 1.145 120 F HN -0.365 7.462 8.300 -0.588 0.120 0.541 121 K N -4.663 115.752 120.400 0.025 0.000 3.274 121 K HA -0.424 3.972 4.320 0.009 -0.071 0.300 121 K C -0.969 175.643 176.600 0.019 0.000 1.230 121 K CA 1.039 57.362 56.287 0.059 0.000 0.884 121 K CB -3.509 29.081 32.500 0.150 0.000 1.242 121 K HN 0.047 8.128 8.250 -0.103 0.107 0.467 122 A N 0.057 122.821 122.820 -0.094 0.000 3.249 122 A HA 0.289 4.606 4.320 -0.005 0.000 0.297 122 A C -1.524 176.002 177.584 -0.097 0.000 1.302 122 A CA -1.255 50.690 52.037 -0.154 0.000 1.074 122 A CB -0.105 18.458 19.000 -0.730 0.000 1.132 122 A HN -0.371 7.560 8.150 -0.161 0.122 0.575 123 I N -3.838 116.716 120.570 -0.027 0.000 2.924 123 I HA 0.299 4.466 4.170 -0.005 0.000 0.316 123 I C -2.151 174.000 176.117 0.056 0.000 1.014 123 I CA -1.384 59.916 61.300 -0.000 0.000 1.106 123 I CB 2.576 40.562 38.000 -0.023 0.000 1.311 123 I HN -0.877 7.330 8.210 -0.005 0.000 0.502 124 V N -4.136 115.818 119.914 0.066 0.000 2.380 124 V HA 0.532 4.828 4.120 0.077 -0.130 0.286 124 V C -1.245 174.877 176.094 0.046 0.000 1.015 124 V CA -1.811 60.534 62.300 0.075 0.000 0.834 124 V CB -0.447 31.442 31.823 0.110 0.000 1.009 124 V HN 0.008 8.231 8.190 0.056 0.000 0.428 125 K N 6.207 126.627 120.400 0.035 0.000 3.148 125 K HA 0.091 4.424 4.320 0.021 0.000 0.219 125 K C -0.566 176.045 176.600 0.019 0.000 2.206 125 K CA 1.521 57.821 56.287 0.022 0.000 1.506 125 K CB 1.264 33.773 32.500 0.015 0.000 2.496 125 K HN 0.609 8.883 8.250 0.039 0.000 0.570 126 K N -1.136 119.275 120.400 0.020 0.000 2.363 126 K HA 0.380 4.709 4.320 0.015 0.000 0.215 126 K C -1.876 174.738 176.600 0.022 0.000 1.179 126 K CA -0.173 56.125 56.287 0.017 0.000 0.856 126 K CB -0.837 31.672 32.500 0.014 0.000 1.371 126 K HN 0.157 8.420 8.250 0.022 0.000 0.455 127 P HA -0.041 4.495 4.420 0.034 -0.095 0.269 127 P C -0.864 176.462 177.300 0.044 0.000 1.209 127 P CA -0.279 62.843 63.100 0.037 0.000 0.776 127 P CB 1.279 33.005 31.700 0.044 0.000 0.876 128 E N 2.348 122.576 120.200 0.046 0.000 2.140 128 E HA -0.197 4.184 4.350 0.052 0.000 0.191 128 E C 0.643 177.298 176.600 0.091 0.000 0.973 128 E CA 1.351 57.783 56.400 0.054 0.000 0.829 128 E CB 0.666 30.384 29.700 0.031 0.000 0.781 128 E HN 0.600 9.383 8.360 0.043 -0.398 0.466 129 G N -3.800 105.055 108.800 0.092 0.000 3.942 129 G HA2 -0.085 3.956 3.960 0.135 0.000 0.219 129 G HA3 -0.085 3.973 3.960 0.163 0.000 0.219 129 G C -1.381 173.582 174.900 0.105 0.000 0.869 129 G CA -0.202 44.973 45.100 0.126 0.000 0.851 129 G HN -0.553 7.779 8.290 0.070 0.000 0.560 130 E N -0.991 119.252 120.200 0.072 0.000 1.975 130 E HA -0.320 4.054 4.350 0.040 0.000 0.192 130 E C -1.004 175.633 176.600 0.061 0.000 1.338 130 E CA 1.698 58.131 56.400 0.055 0.000 0.680 130 E CB -1.893 27.837 29.700 0.049 0.000 1.049 130 E HN 0.324 8.721 8.360 0.062 0.000 0.315 131 D N -4.727 115.707 120.400 0.057 0.000 1.554 131 D HA -0.165 4.487 4.640 0.020 0.000 0.380 131 D C -0.630 175.692 176.300 0.038 0.000 1.139 131 D CA 0.704 54.736 54.000 0.053 0.000 0.499 131 D CB -0.238 40.631 40.800 0.114 0.000 3.272 131 D HN -0.351 8.022 8.370 0.058 0.031 0.210 132 Q N 1.922 121.786 119.800 0.106 0.000 3.170 132 Q HA 0.055 4.422 4.340 0.045 0.000 0.346 132 Q C -0.397 175.752 176.000 0.248 0.000 1.333 132 Q CA 0.396 56.278 55.803 0.133 0.000 0.958 132 Q CB -0.781 28.078 28.738 0.201 0.000 1.600 132 Q HN -0.083 8.195 8.270 0.139 0.076 0.482 133 V N -0.494 119.522 119.914 0.170 0.000 3.161 133 V HA -0.046 4.221 4.120 0.244 0.000 0.221 133 V C 0.801 176.955 176.094 0.099 0.000 1.296 133 V CA 0.895 63.286 62.300 0.152 0.000 1.306 133 V CB 1.964 33.808 31.823 0.035 0.000 1.171 133 V HN -0.035 8.101 8.190 0.059 0.090 0.513 134 I N -2.816 117.726 120.570 -0.046 0.000 2.113 134 I HA -0.300 3.852 4.170 -0.030 0.000 0.238 134 I C 0.518 176.628 176.117 -0.011 0.000 1.070 134 I CA 2.732 63.960 61.300 -0.121 0.000 1.332 134 I CB 0.556 38.371 38.000 -0.309 0.000 1.044 134 I HN -0.290 7.871 8.210 -0.081 0.000 0.402 135 H N -6.413 112.711 119.070 0.091 0.000 3.659 135 H HA 0.113 4.739 4.556 0.118 0.000 0.263 135 H C -1.532 173.791 175.328 -0.008 0.000 1.190 135 H CA -1.234 54.855 56.048 0.068 0.000 1.055 135 H CB -0.606 29.184 29.762 0.048 0.000 3.145 135 H HN -0.055 7.970 8.280 -0.425 0.000 0.713 136 Q N 0.178 119.957 119.800 -0.036 0.000 2.373 136 Q HA 0.053 4.334 4.340 -0.099 0.000 0.255 136 Q C -0.899 174.967 176.000 -0.224 0.000 0.980 136 Q CA -0.331 55.382 55.803 -0.150 0.000 0.882 136 Q CB 0.613 29.196 28.738 -0.258 0.000 1.249 136 Q HN -0.253 7.991 8.270 -0.043 0.000 0.438 137 S N 2.352 117.873 115.700 -0.298 0.000 2.539 137 S HA 0.171 4.367 4.470 -0.457 0.000 0.185 137 S C -1.519 172.781 174.600 -0.499 0.000 1.181 137 S CA -0.385 57.588 58.200 -0.379 0.000 1.216 137 S CB 0.613 63.675 63.200 -0.229 0.000 1.476 137 S HN 0.072 8.203 8.310 -0.298 0.000 0.395 138 S N 2.190 117.527 115.700 -0.606 0.000 2.545 138 S HA 0.183 4.485 4.470 -0.437 -0.095 0.275 138 S C -0.373 173.939 174.600 -0.479 0.000 1.299 138 S CA 0.275 58.133 58.200 -0.570 0.000 1.048 138 S CB 0.513 63.189 63.200 -0.874 0.000 0.938 138 S HN -0.319 7.590 8.310 -0.669 0.000 0.496 139 F N 3.145 122.923 119.950 -0.286 0.000 2.418 139 F HA -0.006 4.511 4.527 -0.180 -0.098 0.341 139 F C -0.172 175.458 175.800 -0.283 0.000 1.120 139 F CA 0.765 58.644 58.000 -0.202 0.000 1.232 139 F CB 1.232 40.175 39.000 -0.095 0.000 1.175 139 F HN 0.511 8.675 8.300 -0.039 0.112 0.569 140 Y N 0.393 120.717 120.300 0.040 0.000 2.446 140 Y HA 0.171 4.702 4.550 -0.032 0.000 0.345 140 Y C -1.610 174.253 175.900 -0.062 0.000 0.984 140 Y CA -1.078 56.987 58.100 -0.058 0.000 1.058 140 Y CB 3.925 42.251 38.460 -0.223 0.000 1.220 140 Y HN 0.956 9.424 8.280 0.314 0.000 0.455 141 L N 3.216 124.464 121.223 0.042 0.000 2.295 141 L HA 0.444 4.719 4.340 -0.109 0.000 0.281 141 L C -2.289 174.504 176.870 -0.128 0.000 1.018 141 L CA -0.871 53.923 54.840 -0.076 0.000 0.841 141 L CB 2.250 44.255 42.059 -0.090 0.000 1.218 141 L HN 1.066 9.241 8.230 0.058 0.090 0.424 142 V N 7.391 127.076 119.914 -0.382 0.000 2.364 142 V HA 0.207 4.162 4.120 -0.276 0.000 0.272 142 V C -0.449 175.400 176.094 -0.408 0.000 1.036 142 V CA -1.009 60.940 62.300 -0.586 0.000 0.880 142 V CB -0.265 30.663 31.823 -1.491 0.000 0.991 142 V HN 0.845 8.743 8.190 -0.487 0.000 0.460 143 G N 5.940 114.669 108.800 -0.119 0.000 2.611 143 G HA2 0.222 4.191 3.960 0.016 0.000 0.273 143 G HA3 0.222 4.256 3.960 0.029 -0.057 0.273 143 G C -1.810 173.168 174.900 0.131 0.000 1.305 143 G CA -1.413 43.696 45.100 0.015 0.000 1.010 143 G HN 0.612 8.741 8.290 -0.076 0.116 0.509 144 P HA -0.019 4.722 4.420 0.224 -0.186 0.215 144 P C 1.231 178.633 177.300 0.169 0.000 1.157 144 P CA 1.651 64.851 63.100 0.167 0.000 0.856 144 P CB 0.377 32.144 31.700 0.110 0.000 0.786 145 D N -1.617 118.861 120.400 0.130 0.000 2.190 145 D HA -0.281 4.423 4.640 0.107 0.000 0.200 145 D C 0.921 177.320 176.300 0.166 0.000 0.992 145 D CA 2.004 56.077 54.000 0.122 0.000 0.854 145 D CB -0.714 40.142 40.800 0.093 0.000 0.936 145 D HN 0.016 8.447 8.370 0.103 0.000 0.462 146 G N -3.605 105.323 108.800 0.213 0.000 2.192 146 G HA2 -0.320 3.932 3.960 0.413 0.000 0.193 146 G HA3 -0.320 3.795 3.960 0.259 0.000 0.193 146 G C -1.960 173.031 174.900 0.151 0.000 0.999 146 G CA -0.305 44.952 45.100 0.261 0.000 0.659 146 G HN -0.495 7.734 8.290 0.201 0.182 0.503 147 K N 0.541 121.009 120.400 0.113 0.000 2.201 147 K HA 0.181 4.749 4.320 0.131 -0.169 0.278 147 K C -0.034 176.616 176.600 0.083 0.000 1.027 147 K CA -1.630 54.721 56.287 0.107 0.000 0.909 147 K CB 1.486 34.045 32.500 0.099 0.000 1.062 147 K HN -0.495 7.823 8.250 0.113 0.000 0.465 148 V N 0.833 120.835 119.914 0.146 0.000 2.686 148 V HA 0.148 4.459 4.120 0.049 -0.162 0.295 148 V C -0.847 175.312 176.094 0.107 0.000 1.055 148 V CA 0.316 62.706 62.300 0.150 0.000 1.050 148 V CB 0.836 32.876 31.823 0.362 0.000 0.984 148 V HN 0.478 8.706 8.190 0.219 0.094 0.482 149 L N 3.520 124.768 121.223 0.041 0.000 2.766 149 L HA 0.444 4.978 4.340 0.007 -0.190 0.241 149 L C 0.182 177.023 176.870 -0.048 0.000 1.080 149 L CA 0.070 54.909 54.840 -0.002 0.000 0.909 149 L CB 2.134 44.186 42.059 -0.012 0.000 1.277 149 L HN 0.659 8.901 8.230 0.020 0.000 0.510 150 K N -2.479 117.878 120.400 -0.071 0.000 2.482 150 K HA 0.558 4.867 4.320 -0.191 -0.103 0.257 150 K C -2.342 174.159 176.600 -0.165 0.000 0.969 150 K CA -1.210 54.978 56.287 -0.165 0.000 0.842 150 K CB 4.684 37.050 32.500 -0.223 0.000 1.359 150 K HN -1.007 7.219 8.250 -0.039 0.000 0.441 151 D N -0.931 119.300 120.400 -0.281 0.000 2.654 151 D HA 0.661 5.284 4.640 -0.222 -0.117 0.255 151 D C -1.149 174.975 176.300 -0.294 0.000 1.101 151 D CA -1.132 52.700 54.000 -0.280 0.000 1.116 151 D CB 3.567 44.157 40.800 -0.349 0.000 1.348 151 D HN 0.502 9.142 8.370 -0.363 -0.488 0.609 152 Y N -4.577 115.695 120.300 -0.046 0.000 2.713 152 Y HA 0.043 4.664 4.550 -0.041 -0.096 0.335 152 Y C -1.254 174.625 175.900 -0.035 0.000 1.222 152 Y CA -0.162 57.929 58.100 -0.016 0.000 1.061 152 Y CB 4.135 42.592 38.460 -0.006 0.000 1.314 152 Y HN -0.284 7.995 8.280 -0.000 0.000 0.453 153 N N 0.790 119.569 118.700 0.130 0.000 2.171 153 N HA 0.035 4.661 4.740 -0.190 0.000 0.212 153 N C 0.878 176.277 175.510 -0.185 0.000 1.184 153 N CA -1.068 51.927 53.050 -0.092 0.000 0.888 153 N CB 1.002 39.420 38.487 -0.114 0.000 1.038 153 N HN 0.507 9.010 8.380 0.206 0.000 0.517 154 G N 0.640 109.303 108.800 -0.228 0.000 4.754 154 G HA2 -0.382 3.155 3.960 -0.705 0.000 0.222 154 G HA3 -0.382 3.087 3.960 -0.818 0.000 0.222 154 G C 0.554 174.990 174.900 -0.774 0.000 1.377 154 G CA 1.655 46.322 45.100 -0.722 0.000 0.942 154 G HN 0.201 8.450 8.290 -0.070 0.000 0.671 155 V N 1.356 121.046 119.914 -0.373 0.000 3.570 155 V HA -0.098 3.966 4.120 -0.093 0.000 0.293 155 V C 0.631 176.664 176.094 -0.103 0.000 1.237 155 V CA 0.126 62.344 62.300 -0.137 0.000 1.226 155 V CB -1.003 30.800 31.823 -0.033 0.000 1.028 155 V HN 0.014 7.972 8.190 -0.282 0.063 0.430 156 E N 0.208 120.333 120.200 -0.125 0.000 3.289 156 E HA -0.486 3.841 4.350 -0.038 0.000 0.386 156 E C 1.435 178.021 176.600 -0.024 0.000 1.526 156 E CA 1.947 58.314 56.400 -0.056 0.000 1.519 156 E CB -1.209 28.463 29.700 -0.046 0.000 1.657 156 E HN 0.074 8.190 8.360 -0.198 0.126 0.479 157 N N -1.122 117.574 118.700 -0.007 0.000 2.585 157 N HA -0.289 4.458 4.740 0.012 0.000 0.230 157 N C -0.378 175.146 175.510 0.024 0.000 0.760 157 N CA 2.567 55.623 53.050 0.010 0.000 1.740 157 N CB -0.138 38.358 38.487 0.015 0.000 0.924 157 N HN 0.458 8.832 8.380 -0.011 0.000 0.634 158 T N -1.414 113.153 114.554 0.022 0.000 3.428 158 T HA 0.493 4.875 4.350 0.053 0.000 0.301 158 T C -2.374 172.359 174.700 0.054 0.000 1.323 158 T CA -2.101 60.024 62.100 0.042 0.000 1.647 158 T CB 0.958 69.850 68.868 0.039 0.000 0.871 158 T HN -0.005 8.149 8.240 0.003 0.088 0.627 159 P HA -0.194 4.352 4.420 0.104 -0.064 0.221 159 P C -0.695 176.669 177.300 0.107 0.000 1.145 159 P CA 1.118 64.273 63.100 0.092 0.000 0.795 159 P CB 0.376 32.138 31.700 0.103 0.000 0.775 160 Y N -6.563 113.673 120.300 -0.106 0.000 4.539 160 Y HA -0.567 3.915 4.550 -0.114 0.000 0.310 160 Y C -0.209 175.572 175.900 -0.197 0.000 1.063 160 Y CA 2.836 60.839 58.100 -0.160 0.000 1.767 160 Y CB -2.214 36.104 38.460 -0.236 0.000 0.963 160 Y HN 0.222 8.827 8.280 0.129 -0.248 0.425 161 D N -1.231 119.099 120.400 -0.116 0.000 2.092 161 D HA -0.384 4.129 4.640 -0.210 0.000 0.193 161 D C 1.105 177.321 176.300 -0.140 0.000 0.994 161 D CA 4.476 58.365 54.000 -0.186 0.000 0.828 161 D CB -1.021 39.633 40.800 -0.243 0.000 0.963 161 D HN 0.211 8.414 8.370 -0.092 0.112 0.450 162 D N -1.288 119.055 120.400 -0.095 0.000 2.084 162 D HA -0.251 4.344 4.640 -0.075 0.000 0.194 162 D C 2.573 178.822 176.300 -0.084 0.000 0.990 162 D CA 3.227 57.184 54.000 -0.071 0.000 0.826 162 D CB -1.305 39.475 40.800 -0.034 0.000 0.971 162 D HN 0.348 8.677 8.370 -0.069 0.000 0.453 163 I N 0.283 120.800 120.570 -0.087 0.000 2.142 163 I HA -0.411 3.713 4.170 -0.076 0.000 0.240 163 I C 2.293 178.292 176.117 -0.196 0.000 1.078 163 I CA 3.424 64.653 61.300 -0.117 0.000 1.343 163 I CB -0.209 37.738 38.000 -0.088 0.000 1.046 163 I HN -0.473 7.706 8.210 -0.052 0.000 0.405 164 I N -1.038 119.359 120.570 -0.288 0.000 2.286 164 I HA -0.541 3.472 4.170 -0.261 0.000 0.248 164 I C 1.933 177.933 176.117 -0.195 0.000 1.115 164 I CA 2.413 63.560 61.300 -0.255 0.000 1.392 164 I CB -1.236 36.631 38.000 -0.222 0.000 1.065 164 I HN 0.281 8.174 8.210 -0.341 0.113 0.418 165 S N 1.331 116.939 115.700 -0.153 0.000 2.351 165 S HA -0.461 3.937 4.470 -0.120 0.000 0.220 165 S C 1.935 176.463 174.600 -0.120 0.000 1.035 165 S CA 3.675 61.801 58.200 -0.124 0.000 1.031 165 S CB -0.373 62.766 63.200 -0.102 0.000 0.928 165 S HN 0.327 8.433 8.310 -0.153 0.112 0.433 166 D N 2.563 122.899 120.400 -0.107 0.000 2.104 166 D HA -0.254 4.341 4.640 -0.075 0.000 0.194 166 D C 2.525 178.765 176.300 -0.100 0.000 0.994 166 D CA 3.460 57.407 54.000 -0.087 0.000 0.830 166 D CB 0.186 40.946 40.800 -0.067 0.000 0.959 166 D HN -0.034 8.273 8.370 -0.106 0.000 0.452 167 V N 0.709 120.547 119.914 -0.126 0.000 2.392 167 V HA -0.579 3.477 4.120 -0.105 0.000 0.249 167 V C 2.073 178.056 176.094 -0.185 0.000 1.059 167 V CA 3.900 66.112 62.300 -0.145 0.000 1.051 167 V CB -0.179 31.545 31.823 -0.165 0.000 0.658 167 V HN 0.404 8.515 8.190 -0.133 0.000 0.455 168 K N 0.023 120.292 120.400 -0.219 0.000 2.009 168 K HA -0.379 3.767 4.320 -0.290 0.000 0.210 168 K C 1.964 178.482 176.600 -0.136 0.000 1.049 168 K CA 2.980 59.136 56.287 -0.218 0.000 0.929 168 K CB -0.594 31.793 32.500 -0.189 0.000 0.714 168 K HN -0.004 7.887 8.250 -0.202 0.238 0.440 169 S N -0.609 115.028 115.700 -0.105 0.000 2.343 169 S HA -0.306 4.123 4.470 -0.069 0.000 0.219 169 S C 2.446 177.006 174.600 -0.067 0.000 1.033 169 S CA 3.030 61.185 58.200 -0.075 0.000 1.014 169 S CB -0.196 62.966 63.200 -0.065 0.000 0.915 169 S HN -0.109 8.136 8.310 -0.109 0.000 0.435 170 A N 2.517 125.296 122.820 -0.068 0.000 1.927 170 A HA -0.296 3.998 4.320 -0.044 0.000 0.220 170 A C 1.887 179.439 177.584 -0.054 0.000 1.185 170 A CA 2.521 54.525 52.037 -0.055 0.000 0.639 170 A CB -0.643 18.325 19.000 -0.053 0.000 0.820 170 A HN 0.192 8.297 8.150 -0.075 0.000 0.451 171 S N -1.793 113.863 115.700 -0.073 0.000 2.363 171 S HA -0.165 4.275 4.470 -0.050 0.000 0.218 171 S C 1.136 175.708 174.600 -0.047 0.000 1.035 171 S CA 3.188 61.349 58.200 -0.065 0.000 1.043 171 S CB 0.602 63.744 63.200 -0.097 0.000 0.986 171 S HN 0.170 8.304 8.310 -0.097 0.118 0.423 172 T N -0.727 113.796 114.554 -0.051 0.000 5.129 172 T HA -0.004 4.327 4.350 -0.032 0.000 0.292 172 T C -1.357 173.320 174.700 -0.038 0.000 0.917 172 T CA 0.243 62.322 62.100 -0.035 0.000 0.783 172 T CB -0.312 68.542 68.868 -0.024 0.000 0.720 172 T HN -0.590 7.610 8.240 -0.068 0.000 0.340 173 L N -0.118 121.075 121.223 -0.049 0.000 3.887 173 L HA -0.440 3.945 4.340 -0.062 -0.082 0.546 173 L C -0.252 176.593 176.870 -0.042 0.000 1.196 173 L CA 1.533 56.343 54.840 -0.049 0.000 0.777 173 L CB -2.439 39.597 42.059 -0.039 0.000 1.346 173 L HN 0.100 8.181 8.230 -0.056 0.116 0.810 174 K N 0.000 120.368 120.400 -0.053 0.000 2.780 174 K HA 0.000 4.311 4.320 -0.015 0.000 0.191 174 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 174 K CB 0.000 32.481 32.500 -0.032 0.000 1.064 174 K HN 0.000 8.202 8.250 -0.081 0.000 0.543