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 1yzs_1_A DATA FIRST_RESID 17 DATA SEQUENCE GAPEGPGPSG GAQGGSIHSG RIAAVHNVPL SVLIRPLPSV LDPAKVQSLV DATA SEQUENCE DTIREDPDSV PPIDVLWIKG AQGGDYFYSF GGCHRYAAYQ QLQRETIPAK DATA SEQUENCE LVQSTLSDLR VYLGASTPDL Q 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.955 3.960 -0.008 0.000 0.244 17 G C 0.000 174.894 174.900 -0.010 0.000 0.946 17 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 18 A N 2.704 125.518 122.820 -0.010 0.000 2.425 18 A HA 0.329 4.641 4.320 -0.014 0.000 0.242 18 A C -1.243 176.331 177.584 -0.015 0.000 1.077 18 A CA -1.003 51.026 52.037 -0.013 0.000 0.781 18 A CB 0.313 19.306 19.000 -0.012 0.000 1.020 18 A HN -0.298 7.847 8.150 -0.008 0.000 0.494 19 P HA 0.031 4.440 4.420 -0.019 0.000 0.241 19 P C -1.207 176.080 177.300 -0.021 0.000 1.760 19 P CA -0.333 62.754 63.100 -0.022 0.000 1.081 19 P CB -1.548 30.134 31.700 -0.029 0.000 1.975 20 E N 1.493 121.683 120.200 -0.016 0.000 2.404 20 E HA -0.126 4.215 4.350 -0.015 0.000 0.261 20 E C -0.505 176.087 176.600 -0.013 0.000 1.074 20 E CA 0.027 56.419 56.400 -0.013 0.000 0.917 20 E CB 0.630 30.325 29.700 -0.009 0.000 0.965 20 E HN -0.186 8.123 8.360 -0.014 0.042 0.433 21 G N 1.016 109.810 108.800 -0.011 0.000 4.309 21 G HA2 -0.079 3.878 3.960 -0.005 0.000 0.201 21 G HA3 -0.079 3.875 3.960 -0.010 0.000 0.201 21 G C -2.408 172.491 174.900 -0.002 0.000 1.024 21 G CA 0.273 45.369 45.100 -0.007 0.000 1.007 21 G HN 0.185 8.469 8.290 -0.010 0.000 0.348 22 P HA -0.041 4.386 4.420 0.012 0.000 0.270 22 P C -0.315 176.990 177.300 0.008 0.000 1.216 22 P CA 0.151 63.254 63.100 0.005 0.000 0.788 22 P CB 0.210 31.909 31.700 -0.001 0.000 0.883 23 G N -0.432 108.377 108.800 0.015 0.000 2.422 23 G HA2 -0.227 3.745 3.960 0.019 0.000 0.290 23 G HA3 -0.227 3.738 3.960 0.009 0.000 0.290 23 G C -1.603 173.305 174.900 0.014 0.000 1.059 23 G CA -0.734 44.375 45.100 0.014 0.000 1.242 23 G HN 0.161 8.465 8.290 0.023 0.000 0.520 24 P HA -0.199 4.229 4.420 0.013 0.000 0.219 24 P C -0.203 177.104 177.300 0.013 0.000 1.144 24 P CA 0.890 63.999 63.100 0.016 0.000 0.806 24 P CB 0.583 32.295 31.700 0.021 0.000 0.771 25 S N -5.271 110.436 115.700 0.013 0.000 3.127 25 S HA 0.013 4.488 4.470 0.009 0.000 0.314 25 S C -2.083 172.523 174.600 0.010 0.000 1.238 25 S CA -0.505 57.702 58.200 0.011 0.000 1.074 25 S CB 0.802 64.009 63.200 0.012 0.000 1.417 25 S HN -0.677 7.575 8.310 0.015 0.067 0.597 26 G N -1.368 107.438 108.800 0.010 0.000 3.982 26 G HA2 0.059 4.025 3.960 0.010 0.000 0.274 26 G HA3 0.059 4.023 3.960 0.007 0.000 0.274 26 G C -1.503 173.403 174.900 0.009 0.000 1.847 26 G CA 0.165 45.271 45.100 0.009 0.000 0.608 26 G HN -0.133 8.163 8.290 0.009 0.000 0.407 27 G N 0.921 109.727 108.800 0.010 0.000 3.724 27 G HA2 -0.129 3.837 3.960 0.010 0.000 0.212 27 G HA3 -0.129 3.836 3.960 0.009 0.000 0.212 27 G C -0.184 174.722 174.900 0.011 0.000 0.928 27 G CA 1.288 46.394 45.100 0.010 0.000 0.879 27 G HN -0.218 8.079 8.290 0.012 0.000 0.424 28 A N 0.538 123.365 122.820 0.012 0.000 2.167 28 A HA 0.111 4.438 4.320 0.012 0.000 0.214 28 A C 0.160 177.753 177.584 0.016 0.000 1.151 28 A CA 0.580 52.625 52.037 0.013 0.000 0.735 28 A CB -0.286 18.722 19.000 0.014 0.000 0.802 28 A HN 0.133 8.291 8.150 0.012 0.000 0.467 29 Q N -1.336 118.474 119.800 0.017 0.000 2.333 29 Q HA -0.315 4.039 4.340 0.024 0.000 0.299 29 Q C 0.021 176.032 176.000 0.018 0.000 1.067 29 Q CA 0.153 55.968 55.803 0.020 0.000 0.943 29 Q CB 0.064 28.813 28.738 0.019 0.000 1.233 29 Q HN -0.503 7.729 8.270 0.016 0.047 0.401 30 G N 0.815 109.627 108.800 0.020 0.000 3.163 30 G HA2 -0.075 3.894 3.960 0.015 0.000 0.266 30 G HA3 -0.075 3.894 3.960 0.015 0.000 0.266 30 G C -0.652 174.259 174.900 0.018 0.000 3.692 30 G CA 0.073 45.183 45.100 0.017 0.000 0.490 30 G HN 0.075 8.379 8.290 0.024 0.000 0.318 31 G N 0.980 109.791 108.800 0.019 0.000 2.324 31 G HA2 -0.245 3.726 3.960 0.018 0.000 0.292 31 G HA3 -0.245 3.725 3.960 0.017 0.000 0.292 31 G C -0.738 174.179 174.900 0.028 0.000 1.079 31 G CA -0.082 45.030 45.100 0.020 0.000 1.026 31 G HN -0.021 8.280 8.290 0.018 0.000 0.506 32 S N -0.296 115.426 115.700 0.037 0.000 2.505 32 S HA -0.071 4.424 4.470 0.043 0.000 0.276 32 S C -0.081 174.559 174.600 0.068 0.000 1.274 32 S CA -0.159 58.071 58.200 0.051 0.000 1.053 32 S CB 0.739 63.975 63.200 0.060 0.000 0.919 32 S HN -0.348 7.984 8.310 0.035 0.000 0.490 33 I N 4.900 125.508 120.570 0.064 0.000 2.452 33 I HA -0.082 4.134 4.170 0.077 0.000 0.287 33 I C -0.065 176.124 176.117 0.121 0.000 1.079 33 I CA -0.217 61.129 61.300 0.076 0.000 1.387 33 I CB 0.251 38.278 38.000 0.045 0.000 1.404 33 I HN 0.158 8.397 8.210 0.050 0.000 0.522 34 H N 9.728 128.822 119.070 0.040 0.000 2.771 34 H HA -0.019 4.583 4.556 0.077 0.000 0.364 34 H C 1.043 176.408 175.328 0.062 0.000 1.133 34 H CA -0.270 55.819 56.048 0.067 0.000 1.423 34 H CB 1.363 31.177 29.762 0.086 0.000 1.425 34 H HN 0.136 8.544 8.280 0.213 0.000 0.606 35 S N 5.506 120.835 115.700 -0.619 0.000 3.844 35 S HA -0.182 4.182 4.470 -0.177 0.000 0.193 35 S C -0.056 174.358 174.600 -0.310 0.000 1.255 35 S CA 0.291 58.266 58.200 -0.374 0.000 1.028 35 S CB -2.034 60.974 63.200 -0.321 0.000 1.436 35 S HN 0.370 8.089 8.310 -0.985 0.000 0.442 36 G N 2.991 111.704 108.800 -0.144 0.000 2.881 36 G HA2 -0.468 3.506 3.960 0.023 0.000 0.681 36 G HA3 -0.468 3.479 3.960 -0.020 0.000 0.681 36 G C -1.871 173.063 174.900 0.056 0.000 1.567 36 G CA -0.104 44.985 45.100 -0.019 0.000 1.013 36 G HN 0.133 8.288 8.290 -0.089 0.081 0.580 37 R N 0.573 121.142 120.500 0.115 0.000 2.491 37 R HA -0.112 4.411 4.340 0.305 0.000 0.283 37 R C -0.540 175.861 176.300 0.168 0.000 1.072 37 R CA 0.631 56.840 56.100 0.182 0.000 1.048 37 R CB 0.509 30.873 30.300 0.107 0.000 0.983 37 R HN 0.005 8.321 8.270 0.078 0.000 0.450 38 I N 4.249 124.966 120.570 0.245 0.000 2.560 38 I HA 0.056 4.314 4.170 0.146 0.000 0.278 38 I C -1.240 175.008 176.117 0.218 0.000 1.089 38 I CA -0.340 61.077 61.300 0.196 0.000 1.086 38 I CB 1.371 39.480 38.000 0.182 0.000 1.202 38 I HN 0.163 8.590 8.210 0.362 0.000 0.471 39 A N 8.557 131.485 122.820 0.179 0.000 2.506 39 A HA 0.330 4.768 4.320 0.196 0.000 0.320 39 A C -1.272 176.403 177.584 0.151 0.000 1.424 39 A CA -0.601 51.539 52.037 0.171 0.000 1.044 39 A CB -0.012 19.076 19.000 0.146 0.000 1.140 39 A HN 0.430 8.669 8.150 0.149 0.000 0.538 40 A N 3.133 126.066 122.820 0.188 0.000 2.525 40 A HA 0.349 4.743 4.320 0.123 0.000 0.291 40 A C -2.226 175.502 177.584 0.239 0.000 1.268 40 A CA -1.114 51.033 52.037 0.184 0.000 0.712 40 A CB 2.301 21.404 19.000 0.172 0.000 1.320 40 A HN -0.118 8.150 8.150 0.196 0.000 0.456 41 V N -0.674 119.315 119.914 0.124 0.000 2.686 41 V HA -0.219 3.950 4.120 0.082 0.000 0.295 41 V C -0.477 175.629 176.094 0.020 0.000 1.055 41 V CA 0.831 63.171 62.300 0.067 0.000 1.050 41 V CB 0.415 32.231 31.823 -0.012 0.000 0.984 41 V HN 0.085 8.313 8.190 0.063 0.000 0.482 42 H N 5.767 124.773 119.070 -0.105 0.000 3.038 42 H HA 0.095 4.581 4.556 -0.118 0.000 0.362 42 H C -1.498 173.721 175.328 -0.183 0.000 1.167 42 H CA -1.056 54.904 56.048 -0.146 0.000 1.197 42 H CB 4.106 33.749 29.762 -0.198 0.000 1.840 42 H HN -0.020 8.296 8.280 0.059 0.000 0.540 43 N N 3.335 121.977 118.700 -0.097 0.000 2.508 43 N HA 0.028 4.841 4.740 -0.158 -0.168 0.253 43 N C -0.361 175.037 175.510 -0.187 0.000 1.145 43 N CA -0.204 52.762 53.050 -0.140 0.000 0.973 43 N CB -0.558 37.857 38.487 -0.119 0.000 1.305 43 N HN 0.343 8.653 8.380 -0.118 0.000 0.506 44 V N 5.497 125.256 119.914 -0.259 0.000 2.432 44 V HA 0.250 4.121 4.120 -0.416 0.000 0.271 44 V C -1.700 174.225 176.094 -0.282 0.000 1.046 44 V CA -3.348 58.723 62.300 -0.381 0.000 0.945 44 V CB 1.608 33.096 31.823 -0.558 0.000 0.992 44 V HN -0.318 7.724 8.190 -0.247 0.000 0.471 45 P HA -0.120 4.226 4.420 -0.124 0.000 0.263 45 P C 0.655 177.885 177.300 -0.117 0.000 1.175 45 P CA 0.702 63.714 63.100 -0.146 0.000 0.761 45 P CB 0.431 32.063 31.700 -0.114 0.000 0.794 46 L N 3.933 125.111 121.223 -0.074 0.000 2.201 46 L HA -0.263 4.081 4.340 0.007 0.000 0.212 46 L C 2.148 179.035 176.870 0.027 0.000 1.105 46 L CA 2.821 57.657 54.840 -0.006 0.000 0.775 46 L CB -0.320 41.736 42.059 -0.005 0.000 0.913 46 L HN -0.180 8.004 8.230 -0.076 0.000 0.440 47 S N -1.763 113.936 115.700 -0.001 0.000 2.474 47 S HA -0.184 4.304 4.470 0.030 0.000 0.235 47 S C 0.781 175.383 174.600 0.005 0.000 0.997 47 S CA 2.233 60.438 58.200 0.009 0.000 0.949 47 S CB -0.089 63.109 63.200 -0.003 0.000 0.766 47 S HN 0.152 8.424 8.310 -0.023 0.024 0.517 48 V N -4.300 115.609 119.914 -0.010 0.000 3.121 48 V HA 0.257 4.390 4.120 0.022 0.000 0.344 48 V C -1.887 174.225 176.094 0.030 0.000 1.390 48 V CA -1.184 61.128 62.300 0.020 0.000 1.177 48 V CB 0.500 32.349 31.823 0.044 0.000 1.163 48 V HN -0.755 7.262 8.190 -0.035 0.152 0.484 49 L N 1.131 122.348 121.223 -0.010 0.000 2.292 49 L HA 0.101 4.423 4.340 -0.029 0.000 0.284 49 L C -0.577 176.236 176.870 -0.095 0.000 1.065 49 L CA -0.633 54.181 54.840 -0.043 0.000 0.806 49 L CB 0.990 43.030 42.059 -0.031 0.000 1.175 49 L HN -0.962 7.202 8.230 -0.000 0.067 0.431 50 I N 2.760 123.221 120.570 -0.181 0.000 2.336 50 I HA 0.213 4.276 4.170 -0.177 0.000 0.292 50 I C -1.251 174.751 176.117 -0.192 0.000 0.991 50 I CA -0.336 60.804 61.300 -0.267 0.000 1.227 50 I CB 0.861 38.471 38.000 -0.650 0.000 1.366 50 I HN -0.022 8.077 8.210 -0.185 0.000 0.466 51 R N 6.534 126.970 120.500 -0.106 0.000 2.513 51 R HA 0.558 4.905 4.340 0.012 0.000 0.283 51 R C -1.954 174.372 176.300 0.043 0.000 1.535 51 R CA -2.202 53.875 56.100 -0.039 0.000 1.315 51 R CB 0.282 30.490 30.300 -0.153 0.000 1.163 51 R HN 0.427 8.638 8.270 -0.099 0.000 0.573 52 P HA 0.105 4.583 4.420 0.097 0.000 0.254 52 P C -1.604 175.777 177.300 0.135 0.000 1.494 52 P CA -0.165 63.028 63.100 0.156 0.000 0.961 52 P CB 0.398 32.249 31.700 0.252 0.000 1.493 53 L N 0.686 121.987 121.223 0.130 0.000 2.457 53 L HA 0.363 4.746 4.340 0.072 0.000 0.266 53 L C -1.987 174.923 176.870 0.066 0.000 0.979 53 L CA -1.952 52.948 54.840 0.100 0.000 0.857 53 L CB 2.094 44.240 42.059 0.144 0.000 1.213 53 L HN -0.410 7.795 8.230 0.123 0.099 0.418 54 P HA 0.300 4.726 4.420 0.011 0.000 0.276 54 P C -1.196 176.130 177.300 0.042 0.000 1.252 54 P CA -0.365 62.751 63.100 0.027 0.000 0.802 54 P CB 0.725 32.437 31.700 0.019 0.000 1.035 55 S N -1.000 114.724 115.700 0.040 0.000 2.592 55 S HA 0.054 4.565 4.470 0.069 0.000 0.275 55 S C -1.086 173.547 174.600 0.055 0.000 1.169 55 S CA -0.474 57.768 58.200 0.070 0.000 0.958 55 S CB 1.655 64.926 63.200 0.119 0.000 1.095 55 S HN 0.021 8.342 8.310 0.019 0.000 0.471 56 V N 5.229 125.183 119.914 0.065 0.000 2.509 56 V HA -0.112 4.021 4.120 0.022 0.000 0.297 56 V C -1.226 174.900 176.094 0.055 0.000 1.014 56 V CA 0.712 63.041 62.300 0.050 0.000 1.127 56 V CB 0.571 32.429 31.823 0.059 0.000 0.925 56 V HN 0.113 8.345 8.190 0.070 0.000 0.480 57 L N 6.759 127.952 121.223 -0.049 0.000 2.375 57 L HA 0.107 4.147 4.340 -0.500 0.000 0.271 57 L C -0.772 176.107 176.870 0.015 0.000 1.107 57 L CA -0.772 53.941 54.840 -0.213 0.000 0.806 57 L CB 0.947 42.825 42.059 -0.300 0.000 1.146 57 L HN -0.291 7.913 8.230 -0.043 0.000 0.447 58 D N 2.197 122.689 120.400 0.153 0.000 2.256 58 D HA 0.380 5.078 4.640 0.096 0.000 0.246 58 D C -1.098 175.263 176.300 0.102 0.000 1.042 58 D CA -3.301 50.787 54.000 0.147 0.000 0.841 58 D CB 2.999 43.916 40.800 0.195 0.000 1.223 58 D HN -0.114 8.403 8.370 0.245 0.000 0.470 59 P HA 0.064 4.505 4.420 0.035 0.000 0.227 59 P C 0.113 177.442 177.300 0.047 0.000 1.161 59 P CA 1.321 64.447 63.100 0.042 0.000 0.788 59 P CB 0.557 32.273 31.700 0.027 0.000 0.822 60 A N -0.057 122.795 122.820 0.053 0.000 1.903 60 A HA -0.124 4.215 4.320 0.031 0.000 0.213 60 A C 2.191 179.806 177.584 0.052 0.000 1.185 60 A CA 2.839 54.901 52.037 0.042 0.000 0.628 60 A CB -0.467 18.554 19.000 0.034 0.000 0.830 60 A HN 0.369 8.790 8.150 0.060 -0.236 0.446 61 K N -1.419 119.029 120.400 0.081 0.000 2.167 61 K HA -0.110 4.239 4.320 0.048 0.000 0.203 61 K C 2.268 178.938 176.600 0.117 0.000 1.052 61 K CA 2.083 58.421 56.287 0.085 0.000 0.956 61 K CB 0.016 32.562 32.500 0.075 0.000 0.735 61 K HN -0.073 8.603 8.250 0.098 -0.368 0.451 62 V N -0.245 119.754 119.914 0.142 0.000 2.379 62 V HA -0.469 3.734 4.120 0.138 0.000 0.245 62 V C 1.711 177.832 176.094 0.045 0.000 1.044 62 V CA 4.701 67.064 62.300 0.105 0.000 1.036 62 V CB -0.027 31.836 31.823 0.067 0.000 0.664 62 V HN -0.532 7.746 8.190 0.146 0.000 0.453 63 Q N -1.031 118.788 119.800 0.033 0.000 2.124 63 Q HA -0.321 4.018 4.340 -0.003 0.000 0.202 63 Q C 2.506 178.509 176.000 0.004 0.000 0.977 63 Q CA 2.802 58.611 55.803 0.009 0.000 0.850 63 Q CB -0.893 27.851 28.738 0.009 0.000 0.901 63 Q HN -0.491 7.805 8.270 0.043 0.000 0.429 64 S N 1.057 116.767 115.700 0.016 0.000 2.356 64 S HA -0.313 4.158 4.470 0.001 0.000 0.223 64 S C 2.140 176.740 174.600 0.001 0.000 1.032 64 S CA 3.418 61.623 58.200 0.008 0.000 1.005 64 S CB -0.231 62.978 63.200 0.015 0.000 0.867 64 S HN -0.572 7.658 8.310 0.029 0.097 0.449 65 L N 2.554 123.785 121.223 0.012 0.000 2.027 65 L HA -0.233 4.106 4.340 -0.001 0.000 0.206 65 L C 2.421 179.261 176.870 -0.049 0.000 1.074 65 L CA 3.018 57.858 54.840 -0.000 0.000 0.745 65 L CB -0.009 42.074 42.059 0.040 0.000 0.898 65 L HN -0.431 7.819 8.230 0.032 0.000 0.433 66 V N -0.631 119.253 119.914 -0.050 0.000 2.469 66 V HA -0.613 3.422 4.120 -0.142 0.000 0.251 66 V C 1.881 177.926 176.094 -0.081 0.000 1.064 66 V CA 4.697 66.943 62.300 -0.089 0.000 1.066 66 V CB -0.241 31.545 31.823 -0.063 0.000 0.667 66 V HN 0.552 8.620 8.190 -0.020 0.110 0.461 67 D N -0.123 120.246 120.400 -0.051 0.000 2.183 67 D HA -0.111 4.501 4.640 -0.046 0.000 0.203 67 D C 2.254 178.525 176.300 -0.047 0.000 0.969 67 D CA 3.890 57.864 54.000 -0.043 0.000 0.842 67 D CB -0.334 40.450 40.800 -0.026 0.000 0.957 67 D HN 0.057 8.286 8.370 -0.036 0.119 0.484 68 T N 3.472 117.998 114.554 -0.046 0.000 2.737 68 T HA -0.290 4.042 4.350 -0.031 0.000 0.265 68 T C 2.009 176.670 174.700 -0.066 0.000 1.038 68 T CA 5.049 67.124 62.100 -0.042 0.000 1.144 68 T CB -0.172 68.681 68.868 -0.026 0.000 0.866 68 T HN -0.153 7.956 8.240 -0.042 0.106 0.434 69 I N 0.175 120.678 120.570 -0.113 0.000 2.226 69 I HA -0.427 3.665 4.170 -0.130 0.000 0.245 69 I C 1.147 177.189 176.117 -0.126 0.000 1.100 69 I CA 3.208 64.408 61.300 -0.167 0.000 1.374 69 I CB -0.250 37.538 38.000 -0.354 0.000 1.057 69 I HN -0.109 8.027 8.210 -0.122 0.000 0.413 70 R N -3.250 117.184 120.500 -0.110 0.000 2.093 70 R HA -0.204 4.085 4.340 -0.084 0.000 0.224 70 R C 1.884 178.150 176.300 -0.055 0.000 1.101 70 R CA 2.107 58.159 56.100 -0.081 0.000 0.979 70 R CB 0.301 30.557 30.300 -0.073 0.000 0.877 70 R HN -0.588 7.606 8.270 -0.114 0.007 0.441 71 E N -2.067 118.105 120.200 -0.048 0.000 2.112 71 E HA -0.148 4.184 4.350 -0.030 0.000 0.190 71 E C -0.005 176.578 176.600 -0.029 0.000 0.979 71 E CA 1.734 58.114 56.400 -0.033 0.000 0.814 71 E CB 1.336 31.020 29.700 -0.027 0.000 0.762 71 E HN -0.154 7.983 8.360 -0.054 0.190 0.460 72 D N -4.099 116.282 120.400 -0.033 0.000 2.333 72 D HA 0.341 4.967 4.640 -0.022 0.000 0.225 72 D C -1.647 174.638 176.300 -0.024 0.000 1.345 72 D CA -1.899 52.087 54.000 -0.024 0.000 0.971 72 D CB 2.142 42.933 40.800 -0.015 0.000 1.451 72 D HN 0.060 8.289 8.370 -0.041 0.117 0.561 73 P HA -0.072 4.330 4.420 -0.031 0.000 0.226 73 P C 0.098 177.406 177.300 0.013 0.000 1.153 73 P CA 1.555 64.647 63.100 -0.013 0.000 0.777 73 P CB 0.307 32.001 31.700 -0.010 0.000 0.794 74 D N -2.830 117.574 120.400 0.006 0.000 2.339 74 D HA 0.008 4.659 4.640 0.018 0.000 0.217 74 D C 0.021 176.328 176.300 0.012 0.000 1.050 74 D CA 0.199 54.206 54.000 0.011 0.000 0.856 74 D CB -0.003 40.799 40.800 0.003 0.000 0.922 74 D HN -0.299 8.203 8.370 -0.002 -0.133 0.518 75 S N -0.689 115.016 115.700 0.009 0.000 2.572 75 S HA 0.152 4.627 4.470 0.010 0.000 0.228 75 S C 0.001 174.611 174.600 0.017 0.000 0.963 75 S CA -0.118 58.087 58.200 0.009 0.000 0.939 75 S CB 0.621 63.822 63.200 0.001 0.000 0.804 75 S HN -0.613 7.565 8.310 0.004 0.135 0.480 76 V N 4.134 124.066 119.914 0.030 0.000 2.305 76 V HA 0.307 4.451 4.120 0.040 0.000 0.275 76 V C -2.363 173.767 176.094 0.061 0.000 1.020 76 V CA -4.262 58.068 62.300 0.049 0.000 0.811 76 V CB -0.028 31.835 31.823 0.067 0.000 1.031 76 V HN -0.854 7.276 8.190 0.032 0.079 0.439 77 P HA 0.093 4.534 4.420 0.035 0.000 0.269 77 P C -2.062 175.267 177.300 0.049 0.000 1.211 77 P CA -0.671 62.454 63.100 0.042 0.000 0.781 77 P CB -0.439 31.282 31.700 0.036 0.000 0.877 78 P HA 0.036 4.466 4.420 0.016 0.000 0.275 78 P C -1.399 175.917 177.300 0.025 0.000 1.266 78 P CA -0.656 62.456 63.100 0.021 0.000 0.793 78 P CB 1.253 32.959 31.700 0.009 0.000 1.074 79 I N -6.455 114.121 120.570 0.010 0.000 2.863 79 I HA 0.419 4.610 4.170 0.035 0.000 0.311 79 I C -1.314 174.811 176.117 0.013 0.000 1.026 79 I CA -2.205 59.107 61.300 0.020 0.000 1.077 79 I CB 2.606 40.617 38.000 0.018 0.000 1.262 79 I HN -0.365 7.837 8.210 -0.014 0.000 0.461 80 D N 1.271 121.685 120.400 0.024 0.000 2.255 80 D HA 0.188 4.847 4.640 0.032 0.000 0.249 80 D C -0.948 175.347 176.300 -0.009 0.000 1.078 80 D CA 0.149 54.164 54.000 0.025 0.000 0.896 80 D CB 1.859 42.688 40.800 0.048 0.000 1.194 80 D HN 0.017 8.407 8.370 0.034 0.000 0.429 81 V N 2.307 122.219 119.914 -0.003 0.000 2.851 81 V HA 0.208 4.348 4.120 -0.125 -0.095 0.307 81 V C -2.096 174.020 176.094 0.038 0.000 1.129 81 V CA -1.208 61.071 62.300 -0.035 0.000 0.932 81 V CB 4.152 35.959 31.823 -0.025 0.000 1.024 81 V HN -0.173 8.035 8.190 0.030 0.000 0.426 82 L N 4.760 125.978 121.223 -0.008 0.000 2.326 82 L HA 0.144 4.680 4.340 0.127 -0.120 0.278 82 L C -1.715 175.320 176.870 0.275 0.000 1.092 82 L CA 0.016 54.916 54.840 0.099 0.000 0.810 82 L CB 1.580 43.647 42.059 0.014 0.000 1.153 82 L HN 0.059 8.193 8.230 -0.160 0.000 0.439 83 W N 7.723 129.063 121.300 0.067 0.000 2.362 83 W HA 0.495 5.177 4.660 0.035 0.000 0.316 83 W C -2.554 173.955 176.519 -0.017 0.000 1.024 83 W CA -2.848 54.525 57.345 0.048 0.000 1.270 83 W CB 1.348 30.866 29.460 0.097 0.000 1.273 83 W HN 1.009 9.277 8.180 0.319 0.104 0.424 84 I N 6.679 127.325 120.570 0.126 0.000 2.647 84 I HA 0.327 4.337 4.170 -0.267 0.000 0.295 84 I C -2.086 174.038 176.117 0.012 0.000 1.078 84 I CA -1.304 59.956 61.300 -0.067 0.000 1.048 84 I CB 4.345 42.358 38.000 0.021 0.000 1.239 84 I HN -0.016 8.357 8.210 0.271 0.000 0.421 85 K N 4.535 124.894 120.400 -0.069 0.000 2.123 85 K HA 0.460 4.997 4.320 0.118 -0.147 0.248 85 K C -0.304 176.365 176.600 0.114 0.000 0.969 85 K CA -1.482 54.829 56.287 0.040 0.000 0.882 85 K CB 3.054 35.515 32.500 -0.066 0.000 1.080 85 K HN 0.391 8.539 8.250 -0.171 0.000 0.441 86 G N -1.979 106.954 108.800 0.221 0.000 2.531 86 G HA2 0.383 4.387 3.960 0.072 0.000 0.281 86 G HA3 0.383 4.599 3.960 0.262 -0.099 0.281 86 G C -0.325 174.620 174.900 0.076 0.000 1.382 86 G CA -1.371 43.825 45.100 0.160 0.000 1.045 86 G HN -0.296 8.151 8.290 0.261 0.000 0.533 87 A N -1.832 121.019 122.820 0.051 0.000 2.209 87 A HA -0.121 4.206 4.320 0.013 0.000 0.212 87 A C 0.462 178.067 177.584 0.034 0.000 1.158 87 A CA 1.911 53.964 52.037 0.027 0.000 0.742 87 A CB 0.146 19.155 19.000 0.015 0.000 0.790 87 A HN -0.155 7.917 8.150 0.046 0.106 0.472 88 Q N -3.402 116.432 119.800 0.057 0.000 2.215 88 Q HA 0.143 4.501 4.340 0.030 0.000 0.337 88 Q C -0.291 175.732 176.000 0.039 0.000 0.887 88 Q CA -1.282 54.547 55.803 0.045 0.000 1.134 88 Q CB 0.086 28.854 28.738 0.050 0.000 1.303 88 Q HN 0.003 8.182 8.270 0.090 0.145 0.421 89 G N -1.106 107.714 108.800 0.033 0.000 2.270 89 G HA2 -0.399 3.565 3.960 0.006 0.000 0.268 89 G HA3 -0.399 3.566 3.960 0.008 0.000 0.268 89 G C 0.183 175.075 174.900 -0.013 0.000 0.982 89 G CA 0.340 45.447 45.100 0.012 0.000 0.628 89 G HN -0.571 7.739 8.290 0.033 0.000 0.544 90 G N 1.452 110.254 108.800 0.004 0.000 2.209 90 G HA2 -0.285 3.542 3.960 -0.221 0.000 0.271 90 G HA3 -0.285 3.629 3.960 -0.076 0.000 0.271 90 G C -1.125 173.521 174.900 -0.423 0.000 1.111 90 G CA -0.274 44.720 45.100 -0.176 0.000 1.092 90 G HN -0.592 7.608 8.290 0.064 0.128 0.416 91 D N 5.113 125.231 120.400 -0.471 0.000 2.389 91 D HA -0.190 4.331 4.640 -0.198 0.000 0.247 91 D C -1.034 174.687 176.300 -0.964 0.000 1.128 91 D CA -0.087 53.629 54.000 -0.475 0.000 0.884 91 D CB 0.603 41.211 40.800 -0.321 0.000 1.194 91 D HN -0.491 7.668 8.370 -0.352 0.000 0.441 92 Y N 0.743 120.782 120.300 -0.435 0.000 2.346 92 Y HA 0.211 4.549 4.550 -0.353 0.000 0.332 92 Y C -1.764 173.846 175.900 -0.484 0.000 0.985 92 Y CA -0.584 57.295 58.100 -0.368 0.000 1.112 92 Y CB 2.890 41.332 38.460 -0.030 0.000 1.170 92 Y HN 0.182 8.334 8.280 -0.213 0.000 0.447 93 F N 1.984 121.945 119.950 0.018 0.000 2.411 93 F HA 0.530 5.275 4.527 0.108 -0.154 0.352 93 F C -0.855 174.800 175.800 -0.241 0.000 1.123 93 F CA -1.746 56.231 58.000 -0.038 0.000 1.044 93 F CB 1.330 40.252 39.000 -0.131 0.000 1.135 93 F HN 0.835 9.056 8.300 -0.132 0.000 0.461 94 Y N 2.964 123.243 120.300 -0.036 0.000 2.341 94 Y HA 0.213 4.634 4.550 -0.216 0.000 0.337 94 Y C -1.117 174.415 175.900 -0.614 0.000 1.014 94 Y CA -0.860 57.031 58.100 -0.349 0.000 1.111 94 Y CB 3.032 41.197 38.460 -0.492 0.000 1.194 94 Y HN 0.257 8.695 8.280 0.263 0.000 0.462 95 S N 2.140 117.557 115.700 -0.472 0.000 2.669 95 S HA 0.496 4.741 4.470 -0.375 0.000 0.315 95 S C -0.694 173.719 174.600 -0.312 0.000 1.106 95 S CA -1.660 56.315 58.200 -0.375 0.000 1.107 95 S CB 0.941 64.046 63.200 -0.160 0.000 0.990 95 S HN -0.127 7.975 8.310 -0.348 0.000 0.471 96 F N 8.183 128.143 119.950 0.017 0.000 2.387 96 F HA 0.229 4.772 4.527 0.028 0.000 0.332 96 F C -0.138 175.677 175.800 0.025 0.000 1.174 96 F CA -1.914 56.092 58.000 0.009 0.000 1.257 96 F CB -1.352 37.619 39.000 -0.048 0.000 1.569 96 F HN 0.526 8.578 8.300 -0.414 0.000 0.554 97 G N 0.209 109.110 108.800 0.167 0.000 2.350 97 G HA2 -0.190 3.856 3.960 0.145 0.000 0.276 97 G HA3 -0.190 3.843 3.960 0.123 0.000 0.276 97 G C -1.384 173.586 174.900 0.116 0.000 1.313 97 G CA -0.168 45.013 45.100 0.134 0.000 0.903 97 G HN -0.674 7.698 8.290 0.136 0.000 0.490 98 G N -1.805 107.066 108.800 0.118 0.000 2.320 98 G HA2 -0.314 3.730 3.960 0.140 0.000 0.291 98 G HA3 -0.314 3.714 3.960 0.114 0.000 0.291 98 G C 0.750 175.769 174.900 0.198 0.000 0.994 98 G CA 0.659 45.843 45.100 0.140 0.000 0.760 98 G HN -0.044 8.309 8.290 0.105 0.000 0.514 99 C N -0.930 118.496 119.300 0.210 0.000 2.401 99 C HA -0.343 4.192 4.460 0.125 0.000 0.276 99 C C 1.379 176.522 174.990 0.255 0.000 1.233 99 C CA 1.656 60.795 59.018 0.203 0.000 1.753 99 C CB -0.282 27.575 27.740 0.194 0.000 2.029 99 C HN 0.212 8.477 8.230 0.193 0.081 0.478 100 H N -1.153 117.993 119.070 0.126 0.000 2.357 100 H HA -0.264 4.367 4.556 0.125 0.000 0.301 100 H C 2.085 177.501 175.328 0.148 0.000 1.082 100 H CA 3.986 60.107 56.048 0.123 0.000 1.342 100 H CB -0.512 29.301 29.762 0.084 0.000 1.389 100 H HN 0.233 8.863 8.280 0.590 0.004 0.511 101 R N -0.703 119.973 120.500 0.293 0.000 2.127 101 R HA -0.398 4.079 4.340 0.227 0.000 0.238 101 R C 2.030 178.522 176.300 0.319 0.000 1.134 101 R CA 3.970 60.236 56.100 0.277 0.000 0.975 101 R CB -0.662 29.800 30.300 0.270 0.000 0.865 101 R HN 0.340 8.718 8.270 0.291 0.066 0.447 102 Y N 0.462 120.854 120.300 0.154 0.000 2.181 102 Y HA -0.444 4.183 4.550 0.128 0.000 0.288 102 Y C 0.843 176.804 175.900 0.101 0.000 1.146 102 Y CA 3.851 62.018 58.100 0.111 0.000 1.164 102 Y CB -0.373 38.114 38.460 0.046 0.000 0.982 102 Y HN 0.021 8.403 8.280 0.362 0.115 0.515 103 A N -1.359 121.582 122.820 0.202 0.000 1.933 103 A HA -0.409 3.924 4.320 0.022 0.000 0.218 103 A C 1.749 179.311 177.584 -0.037 0.000 1.175 103 A CA 2.921 54.991 52.037 0.054 0.000 0.628 103 A CB -1.379 17.655 19.000 0.057 0.000 0.814 103 A HN -0.508 7.741 8.150 0.305 0.084 0.444 104 A N -0.343 122.481 122.820 0.007 0.000 1.873 104 A HA -0.226 4.056 4.320 -0.064 0.000 0.215 104 A C 1.826 179.332 177.584 -0.129 0.000 1.186 104 A CA 2.575 54.577 52.037 -0.058 0.000 0.616 104 A CB -0.288 18.682 19.000 -0.051 0.000 0.823 104 A HN -0.161 7.942 8.150 0.079 0.095 0.442 105 Y N -1.234 118.985 120.300 -0.135 0.000 2.200 105 Y HA -0.400 4.082 4.550 -0.115 0.000 0.290 105 Y C 2.113 177.866 175.900 -0.245 0.000 1.137 105 Y CA 4.608 62.608 58.100 -0.166 0.000 1.163 105 Y CB -0.098 38.264 38.460 -0.163 0.000 0.988 105 Y HN 0.302 8.558 8.280 0.145 0.111 0.518 106 Q N -1.106 118.545 119.800 -0.248 0.000 2.030 106 Q HA -0.481 3.665 4.340 -0.323 0.000 0.204 106 Q C 2.532 178.438 176.000 -0.156 0.000 0.986 106 Q CA 3.429 59.033 55.803 -0.332 0.000 0.843 106 Q CB -0.392 28.022 28.738 -0.541 0.000 0.904 106 Q HN 0.541 8.496 8.270 -0.323 0.121 0.420 107 Q N 0.624 120.349 119.800 -0.124 0.000 2.077 107 Q HA -0.249 4.051 4.340 -0.066 0.000 0.206 107 Q C 2.039 177.993 176.000 -0.078 0.000 0.989 107 Q CA 2.804 58.558 55.803 -0.082 0.000 0.853 107 Q CB -0.213 28.482 28.738 -0.072 0.000 0.907 107 Q HN -0.445 7.744 8.270 -0.135 0.000 0.418 108 L N -3.160 118.006 121.223 -0.095 0.000 2.642 108 L HA -0.138 4.157 4.340 -0.076 0.000 0.236 108 L C -0.210 176.627 176.870 -0.055 0.000 1.169 108 L CA 0.363 55.152 54.840 -0.085 0.000 0.851 108 L CB -0.717 41.265 42.059 -0.128 0.000 0.968 108 L HN -0.540 7.619 8.230 -0.118 0.000 0.453 109 Q N -7.119 112.648 119.800 -0.055 0.000 2.436 109 Q HA -0.480 3.886 4.340 -0.050 -0.056 0.264 109 Q C -0.316 175.670 176.000 -0.023 0.000 1.093 109 Q CA 1.419 57.197 55.803 -0.041 0.000 0.994 109 Q CB -2.616 26.102 28.738 -0.033 0.000 1.434 109 Q HN -0.060 7.906 8.270 -0.070 0.262 0.520 110 R N -2.514 117.985 120.500 -0.001 0.000 2.784 110 R HA -0.205 4.143 4.340 0.013 0.000 0.266 110 R C 0.441 176.746 176.300 0.008 0.000 1.044 110 R CA 0.183 56.301 56.100 0.030 0.000 1.151 110 R CB 0.266 30.644 30.300 0.131 0.000 1.037 110 R HN -0.877 7.350 8.270 -0.001 0.042 0.478 111 E N -1.620 118.579 120.200 -0.001 0.000 2.122 111 E HA -0.092 4.244 4.350 -0.024 0.000 0.190 111 E C 0.054 176.628 176.600 -0.044 0.000 0.977 111 E CA 2.543 58.929 56.400 -0.023 0.000 0.820 111 E CB 0.360 30.045 29.700 -0.025 0.000 0.770 111 E HN 0.431 8.795 8.360 0.006 0.000 0.462 112 T N -6.756 107.768 114.554 -0.051 0.000 2.831 112 T HA 0.160 4.436 4.350 -0.124 0.000 0.287 112 T C -1.488 173.099 174.700 -0.190 0.000 1.070 112 T CA -2.192 59.840 62.100 -0.114 0.000 1.010 112 T CB 2.279 71.078 68.868 -0.115 0.000 1.264 112 T HN -0.650 7.577 8.240 -0.022 0.000 0.532 113 I N -0.728 119.655 120.570 -0.312 0.000 2.686 113 I HA 0.539 4.180 4.170 -0.881 0.000 0.295 113 I C -2.997 172.870 176.117 -0.418 0.000 1.114 113 I CA -3.867 57.053 61.300 -0.634 0.000 1.038 113 I CB 3.601 41.144 38.000 -0.762 0.000 1.238 113 I HN -0.192 7.863 8.210 -0.258 0.000 0.420 114 P HA 0.174 4.628 4.420 -0.144 -0.120 0.271 114 P C -1.857 175.348 177.300 -0.159 0.000 1.220 114 P CA -0.332 62.662 63.100 -0.177 0.000 0.768 114 P CB -0.186 31.471 31.700 -0.073 0.000 0.848 115 A N 2.570 125.321 122.820 -0.115 0.000 2.540 115 A HA 0.245 4.619 4.320 -0.065 -0.093 0.297 115 A C -2.273 175.286 177.584 -0.041 0.000 1.056 115 A CA -0.697 51.287 52.037 -0.088 0.000 0.700 115 A CB 3.785 22.704 19.000 -0.135 0.000 1.280 115 A HN 0.179 8.269 8.150 -0.100 0.000 0.398 116 K N 4.760 125.157 120.400 -0.005 0.000 2.339 116 K HA 0.115 4.608 4.320 0.054 -0.140 0.286 116 K C -0.928 175.695 176.600 0.038 0.000 1.050 116 K CA -0.526 55.781 56.287 0.034 0.000 0.956 116 K CB 1.154 33.683 32.500 0.048 0.000 0.990 116 K HN 0.554 8.694 8.250 -0.006 0.107 0.475 117 L N 5.348 126.597 121.223 0.043 0.000 2.326 117 L HA 0.048 4.448 4.340 0.099 0.000 0.278 117 L C -0.262 176.729 176.870 0.202 0.000 1.092 117 L CA -0.162 54.731 54.840 0.088 0.000 0.810 117 L CB 0.661 42.684 42.059 -0.060 0.000 1.153 117 L HN -0.455 7.805 8.230 0.050 0.000 0.439 118 V N 4.256 124.329 119.914 0.265 0.000 2.357 118 V HA 0.155 4.394 4.120 0.199 0.000 0.281 118 V C -1.813 174.425 176.094 0.240 0.000 1.015 118 V CA -1.364 61.068 62.300 0.220 0.000 0.827 118 V CB 2.257 34.167 31.823 0.144 0.000 1.018 118 V HN 0.218 8.584 8.190 0.293 0.000 0.432 119 Q N 8.292 128.209 119.800 0.196 0.000 2.300 119 Q HA 0.059 4.477 4.340 -0.212 -0.205 0.280 119 Q C -0.380 175.577 176.000 -0.072 0.000 1.033 119 Q CA 0.550 56.298 55.803 -0.092 0.000 0.903 119 Q CB 0.240 28.811 28.738 -0.280 0.000 1.195 119 Q HN 0.525 8.935 8.270 0.232 0.000 0.386 120 S N 5.622 121.256 115.700 -0.110 0.000 2.720 120 S HA 0.507 4.961 4.470 -0.027 0.000 0.287 120 S C -1.935 172.616 174.600 -0.082 0.000 1.168 120 S CA -0.995 57.179 58.200 -0.044 0.000 0.832 120 S CB 3.026 66.247 63.200 0.034 0.000 1.166 120 S HN 0.358 8.552 8.310 -0.192 0.000 0.493 121 T N -2.692 111.838 114.554 -0.041 0.000 2.950 121 T HA 0.295 4.598 4.350 -0.078 0.000 0.288 121 T C 0.995 175.676 174.700 -0.031 0.000 1.035 121 T CA -2.264 59.806 62.100 -0.050 0.000 1.028 121 T CB 1.958 70.802 68.868 -0.041 0.000 1.109 121 T HN -0.226 8.009 8.240 -0.008 0.000 0.514 122 L N 1.317 122.516 121.223 -0.040 0.000 2.081 122 L HA -0.324 3.986 4.340 -0.049 0.000 0.212 122 L C 1.874 178.728 176.870 -0.027 0.000 1.080 122 L CA 3.179 57.995 54.840 -0.041 0.000 0.754 122 L CB -0.280 41.751 42.059 -0.047 0.000 0.893 122 L HN 0.362 8.563 8.230 -0.048 0.000 0.433 123 S N -2.033 113.653 115.700 -0.023 0.000 2.365 123 S HA -0.386 4.067 4.470 -0.027 0.000 0.225 123 S C 2.084 176.681 174.600 -0.004 0.000 1.039 123 S CA 3.550 61.738 58.200 -0.020 0.000 1.033 123 S CB -1.002 62.185 63.200 -0.022 0.000 0.887 123 S HN -0.087 8.198 8.310 -0.027 0.009 0.447 124 D N 0.684 121.097 120.400 0.022 0.000 2.133 124 D HA -0.269 4.395 4.640 0.040 0.000 0.195 124 D C 2.201 178.597 176.300 0.159 0.000 0.997 124 D CA 2.879 56.926 54.000 0.079 0.000 0.840 124 D CB -0.175 40.697 40.800 0.120 0.000 0.947 124 D HN -0.620 7.758 8.370 0.013 0.000 0.452 125 L N -0.677 120.617 121.223 0.118 0.000 2.083 125 L HA -0.292 4.222 4.340 0.289 0.000 0.209 125 L C 1.478 178.387 176.870 0.064 0.000 1.083 125 L CA 2.432 57.345 54.840 0.123 0.000 0.752 125 L CB -0.217 41.813 42.059 -0.048 0.000 0.899 125 L HN -0.946 7.228 8.230 0.056 0.090 0.433 126 R N -1.722 118.777 120.500 -0.002 0.000 2.105 126 R HA -0.368 3.945 4.340 -0.046 0.000 0.239 126 R C 1.748 178.004 176.300 -0.073 0.000 1.135 126 R CA 3.248 59.324 56.100 -0.040 0.000 0.967 126 R CB -0.393 29.880 30.300 -0.045 0.000 0.861 126 R HN -0.356 7.808 8.270 -0.005 0.103 0.442 127 V N -3.147 116.703 119.914 -0.107 0.000 2.469 127 V HA -0.350 3.649 4.120 -0.202 0.000 0.251 127 V C 1.740 177.612 176.094 -0.370 0.000 1.064 127 V CA 3.205 65.351 62.300 -0.258 0.000 1.066 127 V CB -0.501 31.105 31.823 -0.362 0.000 0.667 127 V HN -0.485 7.558 8.190 -0.061 0.111 0.461 128 Y N -3.143 117.074 120.300 -0.138 0.000 2.301 128 Y HA -0.065 4.350 4.550 -0.226 0.000 0.295 128 Y C 0.970 176.715 175.900 -0.258 0.000 1.126 128 Y CA 2.780 60.731 58.100 -0.248 0.000 1.154 128 Y CB 1.210 39.433 38.460 -0.396 0.000 1.075 128 Y HN -0.567 7.588 8.280 0.021 0.137 0.534 129 L N -2.673 118.523 121.223 -0.046 0.000 3.108 129 L HA 0.394 4.681 4.340 -0.088 0.000 0.251 129 L C 0.833 177.666 176.870 -0.062 0.000 1.315 129 L CA -0.817 53.976 54.840 -0.078 0.000 1.048 129 L CB -0.314 41.693 42.059 -0.087 0.000 1.432 129 L HN 0.694 8.807 8.230 0.006 0.121 0.543 130 G N 0.538 109.298 108.800 -0.067 0.000 3.327 130 G HA2 -0.164 3.717 3.960 -0.055 0.000 0.218 130 G HA3 -0.164 3.769 3.960 -0.066 -0.013 0.218 130 G C -1.344 173.526 174.900 -0.049 0.000 1.261 130 G CA 1.119 46.184 45.100 -0.060 0.000 1.438 130 G HN 0.187 8.362 8.290 -0.080 0.066 0.530 131 A N -1.213 121.581 122.820 -0.044 0.000 1.472 131 A HA 0.276 4.577 4.320 -0.031 0.000 0.214 131 A C -0.435 177.133 177.584 -0.026 0.000 1.836 131 A CA 0.560 52.577 52.037 -0.033 0.000 1.436 131 A CB 0.831 19.812 19.000 -0.032 0.000 1.362 131 A HN 0.071 8.049 8.150 -0.046 0.144 0.359 132 S N 0.111 115.797 115.700 -0.024 0.000 2.552 132 S HA 0.025 4.489 4.470 -0.010 0.000 0.246 132 S C 0.289 174.881 174.600 -0.013 0.000 1.019 132 S CA -0.161 58.032 58.200 -0.011 0.000 1.045 132 S CB -0.051 63.150 63.200 0.001 0.000 0.784 132 S HN -0.242 8.050 8.310 -0.031 0.000 0.453 133 T N 4.925 119.461 114.554 -0.030 0.000 2.769 133 T HA 0.243 4.562 4.350 -0.052 0.000 0.293 133 T C -0.846 173.833 174.700 -0.036 0.000 0.931 133 T CA -1.395 60.678 62.100 -0.044 0.000 1.139 133 T CB 0.216 69.051 68.868 -0.056 0.000 0.881 133 T HN -0.376 7.752 8.240 -0.033 0.092 0.532 134 P HA 0.236 4.640 4.420 -0.026 0.000 0.293 134 P C -1.801 175.462 177.300 -0.062 0.000 1.304 134 P CA -0.976 62.103 63.100 -0.035 0.000 0.767 134 P CB 0.990 32.677 31.700 -0.021 0.000 1.247 135 D N -0.700 119.661 120.400 -0.065 0.000 2.373 135 D HA 0.141 4.739 4.640 -0.070 0.000 0.227 135 D C -0.816 175.414 176.300 -0.117 0.000 1.091 135 D CA -0.827 53.129 54.000 -0.072 0.000 0.840 135 D CB 0.690 41.464 40.800 -0.044 0.000 1.060 135 D HN -0.009 8.329 8.370 -0.053 0.000 0.502 136 L N 4.081 125.212 121.223 -0.153 0.000 2.349 136 L HA 0.050 4.129 4.340 -0.435 0.000 0.275 136 L C 0.094 176.920 176.870 -0.074 0.000 1.115 136 L CA 0.286 54.974 54.840 -0.254 0.000 0.820 136 L CB -0.112 41.784 42.059 -0.271 0.000 1.135 136 L HN 0.374 8.531 8.230 -0.122 0.000 0.445 137 Q N 0.000 119.806 119.800 0.010 0.000 2.315 137 Q HA 0.000 4.375 4.340 0.058 0.000 0.214 137 Q CA 0.000 55.856 55.803 0.089 0.000 1.022 137 Q CB 0.000 28.775 28.738 0.061 0.000 1.108 137 Q HN 0.000 8.255 8.270 -0.026 0.000 0.481