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 1o2g_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK EXXXGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF GE 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 16 I HA 0.000 4.209 4.170 0.065 0.000 0.288 16 I C 0.000 176.147 176.117 0.050 0.000 1.063 16 I CA 0.000 61.330 61.300 0.050 0.000 1.566 16 I CB 0.000 38.015 38.000 0.025 0.000 1.214 17 V N 5.621 125.570 119.914 0.058 0.000 2.435 17 V HA 0.293 4.575 4.120 0.044 -0.135 0.290 17 V C 0.246 176.372 176.094 0.055 0.000 1.030 17 V CA -1.554 60.777 62.300 0.052 0.000 0.881 17 V CB 1.690 33.544 31.823 0.052 0.000 0.983 17 V HN 0.917 9.148 8.190 0.069 0.000 0.445 18 E N 2.014 122.239 120.200 0.042 0.000 2.476 18 E HA -0.411 3.955 4.350 0.026 0.000 0.251 18 E C -1.008 175.617 176.600 0.042 0.000 1.130 18 E CA 1.148 57.570 56.400 0.037 0.000 0.736 18 E CB -2.393 27.329 29.700 0.037 0.000 1.298 18 E HN 0.950 9.331 8.360 0.036 0.000 0.400 19 G N -3.818 105.004 108.800 0.037 0.000 2.887 19 G HA2 0.434 4.414 3.960 0.041 0.000 0.277 19 G HA3 0.434 4.457 3.960 0.027 -0.047 0.277 19 G C -1.627 173.283 174.900 0.017 0.000 1.346 19 G CA -1.036 44.082 45.100 0.031 0.000 1.058 19 G HN -0.468 7.825 8.290 0.033 0.016 0.535 20 S N -1.670 114.035 115.700 0.008 0.000 2.740 20 S HA 0.269 4.744 4.470 0.009 0.000 0.300 20 S C -1.552 173.044 174.600 -0.006 0.000 1.147 20 S CA -1.361 56.842 58.200 0.006 0.000 0.871 20 S CB 3.029 66.235 63.200 0.010 0.000 1.173 20 S HN 0.352 8.664 8.310 0.004 0.000 0.510 21 D N 0.561 120.963 120.400 0.003 0.000 2.372 21 D HA -0.088 4.821 4.640 -0.029 -0.286 0.243 21 D C 0.131 176.439 176.300 0.013 0.000 1.121 21 D CA 1.047 55.048 54.000 0.002 0.000 0.898 21 D CB 0.826 41.648 40.800 0.035 0.000 1.202 21 D HN 0.126 8.503 8.370 0.012 0.000 0.428 22 A N 3.650 126.475 122.820 0.009 0.000 2.296 22 A HA 0.003 4.312 4.320 -0.018 0.000 0.264 22 A C -0.688 176.961 177.584 0.109 0.000 1.097 22 A CA -0.652 51.396 52.037 0.019 0.000 0.811 22 A CB 1.698 20.679 19.000 -0.032 0.000 1.072 22 A HN 0.580 8.614 8.150 -0.035 0.095 0.495 23 E N -1.342 118.874 120.200 0.027 0.000 2.250 23 E HA 0.131 4.482 4.350 0.003 0.000 0.265 23 E C -0.619 175.945 176.600 -0.060 0.000 1.033 23 E CA -1.851 54.541 56.400 -0.012 0.000 0.888 23 E CB 1.386 31.061 29.700 -0.042 0.000 1.151 23 E HN -0.015 8.331 8.360 -0.023 0.000 0.412 24 I N 0.738 121.219 120.570 -0.149 0.000 2.648 24 I HA -0.141 3.864 4.170 -0.273 0.000 0.284 24 I C 1.225 177.298 176.117 -0.073 0.000 1.153 24 I CA 0.794 61.985 61.300 -0.181 0.000 1.426 24 I CB -0.308 37.593 38.000 -0.165 0.000 1.381 24 I HN 0.201 8.329 8.210 -0.137 0.000 0.571 25 G N 4.130 112.913 108.800 -0.027 0.000 2.180 25 G HA2 -0.422 3.493 3.960 -0.074 0.000 0.263 25 G HA3 -0.422 3.468 3.960 -0.117 0.000 0.263 25 G C 0.000 174.748 174.900 -0.253 0.000 0.989 25 G CA 0.918 45.954 45.100 -0.107 0.000 0.692 25 G HN 0.157 8.459 8.290 0.021 0.000 0.526 26 M N -0.889 118.565 119.600 -0.244 0.000 2.132 26 M HA -0.232 4.067 4.480 -0.302 0.000 0.263 26 M C -0.368 175.573 176.300 -0.598 0.000 1.065 26 M CA 2.749 57.851 55.300 -0.330 0.000 1.122 26 M CB 0.845 33.313 32.600 -0.221 0.000 1.365 26 M HN -0.653 7.473 8.290 -0.163 0.066 0.411 27 S N -3.579 111.738 115.700 -0.638 0.000 2.062 27 S HA 0.483 3.945 4.470 -1.680 0.000 0.163 27 S C -1.773 172.166 174.600 -1.103 0.000 1.612 27 S CA -2.263 55.292 58.200 -1.075 0.000 1.251 27 S CB 0.392 63.251 63.200 -0.568 0.000 1.174 27 S HN -0.035 8.017 8.310 -0.430 0.000 0.428 28 P HA 0.175 4.517 4.420 -0.294 -0.098 0.234 28 P C -0.260 176.861 177.300 -0.299 0.000 1.167 28 P CA 1.417 64.204 63.100 -0.523 0.000 0.763 28 P CB 0.041 31.521 31.700 -0.366 0.000 0.835 29 W N -5.230 116.058 121.300 -0.020 0.000 3.211 29 W HA 0.292 5.012 4.660 0.004 -0.057 0.292 29 W C -0.780 175.761 176.519 0.036 0.000 1.268 29 W CA -3.207 54.138 57.345 -0.001 0.000 1.702 29 W CB -1.325 28.122 29.460 -0.023 0.000 1.092 29 W HN -0.454 6.606 8.180 -1.710 0.094 0.643 30 Q N 2.508 122.326 119.800 0.030 0.000 2.337 30 Q HA 0.033 4.497 4.340 0.207 0.000 0.270 30 Q C -1.181 174.948 176.000 0.215 0.000 1.002 30 Q CA 0.749 56.620 55.803 0.115 0.000 0.888 30 Q CB 0.391 29.077 28.738 -0.088 0.000 1.222 30 Q HN -0.260 7.666 8.270 -0.291 0.169 0.400 31 V N 4.726 124.802 119.914 0.270 0.000 2.914 31 V HA 0.384 4.794 4.120 0.279 -0.122 0.314 31 V C -1.555 174.772 176.094 0.390 0.000 1.084 31 V CA -1.777 60.698 62.300 0.292 0.000 0.963 31 V CB 3.927 35.886 31.823 0.227 0.000 1.025 31 V HN 0.160 8.498 8.190 0.248 0.000 0.432 32 M N 3.575 123.360 119.600 0.308 0.000 2.243 32 M HA 0.457 5.285 4.480 0.378 -0.121 0.324 32 M C -2.116 174.301 176.300 0.195 0.000 1.031 32 M CA -1.184 54.271 55.300 0.258 0.000 0.949 32 M CB 3.490 36.073 32.600 -0.028 0.000 1.615 32 M HN 0.024 8.446 8.290 0.220 0.000 0.430 33 L N 6.124 127.467 121.223 0.200 0.000 2.264 33 L HA 0.487 5.062 4.340 0.162 -0.138 0.289 33 L C -1.944 175.046 176.870 0.201 0.000 1.044 33 L CA -0.864 54.075 54.840 0.165 0.000 0.807 33 L CB 1.065 43.191 42.059 0.111 0.000 1.192 33 L HN 0.880 9.239 8.230 0.215 0.000 0.425 34 F N 5.768 125.724 119.950 0.010 0.000 2.482 34 F HA 0.758 5.442 4.527 -0.014 -0.164 0.331 34 F C -2.076 173.719 175.800 -0.009 0.000 1.115 34 F CA -1.910 56.084 58.000 -0.011 0.000 0.955 34 F CB 4.246 43.230 39.000 -0.027 0.000 1.136 34 F HN 0.952 9.408 8.300 0.259 0.000 0.452 35 R N 5.426 125.625 120.500 -0.501 0.000 2.562 35 R HA 0.410 4.777 4.340 -0.162 -0.124 0.217 35 R C 0.173 176.244 176.300 -0.382 0.000 1.234 35 R CA -1.470 54.431 56.100 -0.332 0.000 1.027 35 R CB 2.311 32.434 30.300 -0.295 0.000 1.525 35 R HN 0.874 8.692 8.270 -0.753 0.000 0.527 36 S N -1.057 114.583 115.700 -0.100 0.000 2.498 36 S HA 0.078 4.554 4.470 -0.086 -0.058 0.281 36 S C -1.129 173.417 174.600 -0.091 0.000 1.265 36 S CA -0.680 57.470 58.200 -0.083 0.000 1.071 36 S CB 0.065 63.235 63.200 -0.051 0.000 0.894 36 S HN -0.300 7.953 8.310 -0.095 0.000 0.491 37 P HA -0.070 4.301 4.420 -0.082 0.000 0.268 37 P C -1.723 175.458 177.300 -0.199 0.000 1.208 37 P CA -0.281 62.753 63.100 -0.110 0.000 0.777 37 P CB 0.665 32.312 31.700 -0.088 0.000 0.875 38 Q N 0.863 120.551 119.800 -0.187 0.000 2.369 38 Q HA 0.127 4.482 4.340 -0.581 -0.364 0.247 38 Q C -0.844 174.873 176.000 -0.472 0.000 1.083 38 Q CA -0.029 55.557 55.803 -0.362 0.000 0.905 38 Q CB 0.250 28.993 28.738 0.007 0.000 1.305 38 Q HN 0.252 8.459 8.270 -0.105 0.000 0.465 39 E N 2.068 121.782 120.200 -0.809 0.000 2.413 39 E HA 0.233 4.447 4.350 -0.228 0.000 0.277 39 E C -2.526 173.806 176.600 -0.447 0.000 0.958 39 E CA -2.366 53.766 56.400 -0.446 0.000 0.779 39 E CB 2.945 32.521 29.700 -0.206 0.000 1.278 39 E HN -0.137 7.610 8.360 -1.021 0.000 0.456 40 L N 0.900 122.084 121.223 -0.066 0.000 2.410 40 L HA 0.009 4.469 4.340 0.199 0.000 0.273 40 L C -1.675 175.206 176.870 0.017 0.000 1.152 40 L CA 1.351 56.242 54.840 0.085 0.000 0.855 40 L CB 0.297 42.431 42.059 0.125 0.000 1.129 40 L HN 0.318 8.545 8.230 -0.005 0.000 0.463 41 L N 5.789 127.036 121.223 0.040 0.000 2.435 41 L HA 0.278 4.622 4.340 0.006 0.000 0.195 41 L C -0.534 176.377 176.870 0.068 0.000 1.072 41 L CA 0.926 55.780 54.840 0.025 0.000 0.833 41 L CB 2.960 45.019 42.059 -0.001 0.000 1.081 41 L HN 0.594 8.877 8.230 0.088 0.000 0.485 42 c N -6.381 112.280 118.600 0.101 0.000 3.314 42 c HA 0.271 4.915 4.570 0.125 0.000 0.344 42 c C -1.645 172.555 174.090 0.183 0.000 1.461 42 c CA -0.930 55.468 56.329 0.115 0.000 1.249 42 c CB 3.814 46.349 42.510 0.040 0.000 1.632 42 c HN -0.741 7.558 8.230 0.116 0.000 0.452 43 G N -1.836 107.073 108.800 0.180 0.000 2.511 43 G HA2 0.803 5.095 3.960 0.319 0.000 0.316 43 G HA3 0.803 4.881 3.960 0.195 0.000 0.316 43 G C -2.888 172.120 174.900 0.181 0.000 1.210 43 G CA -1.355 43.880 45.100 0.226 0.000 0.969 43 G HN 0.558 8.930 8.290 0.137 0.000 0.492 44 A N -3.024 119.915 122.820 0.199 0.000 2.511 44 A HA 0.986 5.685 4.320 0.169 -0.278 0.293 44 A C -2.417 175.294 177.584 0.211 0.000 1.098 44 A CA -0.325 51.824 52.037 0.186 0.000 0.643 44 A CB 2.712 21.819 19.000 0.178 0.000 1.302 44 A HN -0.367 7.916 8.150 0.221 0.000 0.446 45 S N -2.679 113.149 115.700 0.213 0.000 2.564 45 S HA 0.932 5.775 4.470 0.274 -0.208 0.274 45 S C -1.084 173.652 174.600 0.228 0.000 1.124 45 S CA -1.675 56.669 58.200 0.240 0.000 0.869 45 S CB 3.906 67.235 63.200 0.214 0.000 1.105 45 S HN 0.474 8.906 8.310 0.203 0.000 0.472 46 L N 3.278 124.649 121.223 0.247 0.000 2.264 46 L HA 0.431 4.904 4.340 0.222 0.000 0.289 46 L C -0.700 176.273 176.870 0.173 0.000 1.044 46 L CA -0.557 54.413 54.840 0.217 0.000 0.807 46 L CB 1.761 43.946 42.059 0.211 0.000 1.192 46 L HN 0.445 8.756 8.230 0.306 0.102 0.425 47 I N -1.048 119.628 120.570 0.176 0.000 4.181 47 I HA 0.528 4.731 4.170 0.056 0.000 0.331 47 I C -0.940 175.255 176.117 0.130 0.000 1.312 47 I CA -0.795 60.575 61.300 0.116 0.000 1.146 47 I CB 1.543 39.614 38.000 0.117 0.000 1.074 47 I HN -0.000 8.347 8.210 0.228 0.000 0.402 48 S N -0.734 115.098 115.700 0.219 0.000 2.703 48 S HA 0.144 4.759 4.470 0.241 0.000 0.273 48 S C -1.470 173.361 174.600 0.384 0.000 1.178 48 S CA -0.702 57.669 58.200 0.285 0.000 0.838 48 S CB 2.198 65.591 63.200 0.321 0.000 1.178 48 S HN -0.844 7.617 8.310 0.252 0.000 0.494 49 D N -3.935 116.705 120.400 0.400 0.000 2.363 49 D HA -0.071 4.844 4.640 0.459 0.000 0.220 49 D C 0.448 176.828 176.300 0.134 0.000 0.994 49 D CA 1.825 55.988 54.000 0.271 0.000 0.890 49 D CB -0.038 40.727 40.800 -0.057 0.000 0.906 49 D HN 0.291 8.874 8.370 0.355 0.000 0.530 50 R N -2.950 117.626 120.500 0.125 0.000 2.531 50 R HA 0.325 4.607 4.340 -0.096 0.000 0.316 50 R C -1.758 174.368 176.300 -0.290 0.000 0.955 50 R CA -0.111 55.922 56.100 -0.110 0.000 1.120 50 R CB 2.056 32.211 30.300 -0.242 0.000 1.361 50 R HN -0.350 8.020 8.270 0.246 0.048 0.534 51 W N -1.817 119.548 121.300 0.109 0.000 2.702 51 W HA 0.705 5.628 4.660 0.110 -0.196 0.331 51 W C -1.451 175.139 176.519 0.119 0.000 1.049 51 W CA -0.763 56.646 57.345 0.106 0.000 1.230 51 W CB 3.381 32.890 29.460 0.082 0.000 1.408 51 W HN -0.548 7.838 8.180 0.343 0.000 0.492 52 V N 1.669 121.815 119.914 0.386 0.000 2.680 52 V HA 0.847 5.302 4.120 0.267 -0.175 0.309 52 V C -2.018 174.256 176.094 0.300 0.000 1.052 52 V CA -1.559 60.912 62.300 0.285 0.000 0.908 52 V CB 3.649 35.597 31.823 0.208 0.000 1.001 52 V HN 0.951 9.393 8.190 0.419 0.000 0.431 53 L N 6.314 127.687 121.223 0.250 0.000 2.329 53 L HA 0.897 5.551 4.340 0.269 -0.153 0.279 53 L C -1.653 175.337 176.870 0.200 0.000 1.014 53 L CA -1.415 53.567 54.840 0.237 0.000 0.814 53 L CB 3.483 45.670 42.059 0.213 0.000 1.257 53 L HN 0.696 9.064 8.230 0.231 0.000 0.424 54 T N 5.090 119.754 114.554 0.184 0.000 2.645 54 T HA 0.495 5.117 4.350 0.133 -0.193 0.300 54 T C -2.199 172.552 174.700 0.085 0.000 1.210 54 T CA -2.612 59.563 62.100 0.126 0.000 1.034 54 T CB 2.639 71.568 68.868 0.102 0.000 1.537 54 T HN 0.527 8.892 8.240 0.209 0.000 0.492 55 A N 0.411 123.234 122.820 0.005 0.000 2.274 55 A HA 0.480 4.968 4.320 0.003 -0.166 0.309 55 A C 0.347 177.830 177.584 -0.169 0.000 1.226 55 A CA -2.023 49.977 52.037 -0.062 0.000 0.853 55 A CB 1.198 20.125 19.000 -0.121 0.000 1.146 55 A HN 0.363 8.506 8.150 -0.012 0.000 0.518 56 A N 6.152 128.829 122.820 -0.238 0.000 1.978 56 A HA -0.319 3.850 4.320 -0.253 0.000 0.220 56 A C 1.189 178.520 177.584 -0.422 0.000 1.170 56 A CA 3.017 54.785 52.037 -0.448 0.000 0.636 56 A CB -0.682 17.716 19.000 -1.004 0.000 0.810 56 A HN 0.908 8.935 8.150 -0.193 0.008 0.448 57 H N -4.409 114.492 119.070 -0.282 0.000 2.521 57 H HA -0.058 4.779 4.556 0.104 -0.218 0.286 57 H C 0.864 176.203 175.328 0.019 0.000 1.034 57 H CA 1.817 57.870 56.048 0.008 0.000 1.278 57 H CB -0.841 29.017 29.762 0.161 0.000 1.386 57 H HN -0.012 8.454 8.280 -0.177 -0.293 0.567 58 c N -1.179 117.245 118.600 -0.293 0.000 2.446 58 c HA -0.152 4.338 4.570 -0.134 0.000 0.279 58 c C -0.143 173.912 174.090 -0.057 0.000 1.366 58 c CA 1.705 57.925 56.329 -0.182 0.000 1.763 58 c CB -0.388 42.007 42.510 -0.193 0.000 1.929 58 c HN -0.520 7.319 8.230 -0.374 0.167 0.509 59 L N -3.001 118.188 121.223 -0.057 0.000 2.365 59 L HA 0.245 4.571 4.340 -0.024 0.000 0.267 59 L C 0.067 176.927 176.870 -0.017 0.000 1.033 59 L CA -0.879 53.943 54.840 -0.029 0.000 0.802 59 L CB 1.249 43.292 42.059 -0.026 0.000 1.267 59 L HN -0.627 7.394 8.230 -0.095 0.151 0.457 60 T N 0.699 115.232 114.554 -0.035 0.000 2.936 60 T HA 0.291 4.614 4.350 -0.045 0.000 0.282 60 T C 0.847 175.524 174.700 -0.039 0.000 1.003 60 T CA -1.546 60.530 62.100 -0.040 0.000 1.005 60 T CB 1.632 70.477 68.868 -0.039 0.000 1.097 60 T HN 0.312 8.819 8.240 -0.035 -0.289 0.532 61 E N 4.622 124.792 120.200 -0.049 0.000 2.055 61 E HA -0.483 3.841 4.350 -0.043 0.000 0.209 61 E C 1.838 178.420 176.600 -0.031 0.000 1.036 61 E CA 3.689 60.061 56.400 -0.046 0.000 0.849 61 E CB -0.768 28.896 29.700 -0.060 0.000 0.767 61 E HN 0.736 9.060 8.360 -0.060 0.000 0.461 62 N N -3.245 115.436 118.700 -0.032 0.000 2.586 62 N HA -0.254 4.473 4.740 -0.021 0.000 0.191 62 N C 0.019 175.516 175.510 -0.022 0.000 1.085 62 N CA 2.237 55.273 53.050 -0.024 0.000 0.921 62 N CB -0.701 37.770 38.487 -0.026 0.000 0.954 62 N HN 0.233 8.591 8.380 -0.037 0.000 0.448 63 D N -2.338 118.048 120.400 -0.024 0.000 2.379 63 D HA 0.133 4.755 4.640 -0.029 0.000 0.208 63 D C -1.222 175.064 176.300 -0.023 0.000 1.065 63 D CA 0.842 54.825 54.000 -0.028 0.000 0.848 63 D CB 1.158 41.937 40.800 -0.036 0.000 0.949 63 D HN -0.174 7.971 8.370 -0.026 0.209 0.509 64 L N -2.367 118.852 121.223 -0.007 0.000 2.323 64 L HA 0.647 5.130 4.340 0.011 -0.137 0.265 64 L C -1.565 175.333 176.870 0.047 0.000 1.012 64 L CA -1.124 53.726 54.840 0.017 0.000 0.820 64 L CB 3.427 45.497 42.059 0.018 0.000 1.334 64 L HN -0.164 7.901 8.230 -0.010 0.159 0.427 65 L N -0.752 120.527 121.223 0.094 0.000 2.388 65 L HA 0.589 5.099 4.340 0.079 -0.122 0.264 65 L C -2.113 174.839 176.870 0.137 0.000 0.998 65 L CA -1.283 53.630 54.840 0.122 0.000 0.817 65 L CB 5.211 47.388 42.059 0.196 0.000 1.338 65 L HN 0.378 8.672 8.230 0.106 0.000 0.414 66 V N 3.615 123.589 119.914 0.100 0.000 2.417 66 V HA 0.483 4.843 4.120 0.124 -0.165 0.291 66 V C -1.461 174.678 176.094 0.075 0.000 1.024 66 V CA -1.065 61.296 62.300 0.101 0.000 0.861 66 V CB 2.028 33.904 31.823 0.088 0.000 0.985 66 V HN 0.593 8.829 8.190 0.078 0.000 0.436 67 R N 7.400 127.936 120.500 0.060 0.000 2.310 67 R HA 0.714 5.241 4.340 0.007 -0.183 0.324 67 R C -0.841 175.489 176.300 0.050 0.000 0.955 67 R CA -1.366 54.734 56.100 0.000 0.000 0.830 67 R CB 1.436 31.658 30.300 -0.130 0.000 1.154 67 R HN 0.659 8.980 8.270 0.086 0.000 0.458 68 I N 1.639 122.249 120.570 0.066 0.000 2.562 68 I HA 0.289 4.547 4.170 0.147 0.000 0.301 68 I C 0.143 176.313 176.117 0.089 0.000 1.003 68 I CA -1.723 59.643 61.300 0.110 0.000 1.127 68 I CB 2.497 40.574 38.000 0.129 0.000 1.304 68 I HN 0.782 8.917 8.210 0.051 0.106 0.446 69 G N 3.556 112.427 108.800 0.118 0.000 2.141 69 G HA2 -0.447 3.811 3.960 0.140 0.000 0.231 69 G HA3 -0.447 3.566 3.960 0.089 0.000 0.231 69 G C -1.043 173.894 174.900 0.062 0.000 0.984 69 G CA 0.024 45.186 45.100 0.104 0.000 0.660 69 G HN 0.403 8.779 8.290 0.144 0.000 0.525 70 K N -1.822 118.651 120.400 0.122 0.000 2.090 70 K HA 0.133 4.567 4.320 0.007 -0.110 0.250 70 K C -1.769 175.040 176.600 0.347 0.000 1.004 70 K CA 0.044 56.409 56.287 0.130 0.000 0.919 70 K CB 1.119 33.596 32.500 -0.038 0.000 1.045 70 K HN -0.439 7.878 8.250 0.174 0.037 0.471 71 H N 0.157 119.332 119.070 0.175 0.000 1.955 71 H HA 0.219 4.948 4.556 0.288 0.000 0.196 71 H C 0.199 175.708 175.328 0.301 0.000 0.891 71 H CA 1.000 57.180 56.048 0.220 0.000 1.001 71 H CB 3.402 33.188 29.762 0.039 0.000 1.195 71 H HN 0.308 9.129 8.280 0.156 -0.448 0.384 72 S N -0.210 115.542 115.700 0.087 0.000 2.564 72 S HA 0.105 4.720 4.470 -0.026 -0.161 0.278 72 S C 0.696 175.176 174.600 -0.199 0.000 1.333 72 S CA 0.232 58.415 58.200 -0.027 0.000 1.048 72 S CB 1.121 64.304 63.200 -0.029 0.000 0.900 72 S HN -0.322 8.507 8.310 0.130 -0.440 0.505 73 R N 6.304 126.671 120.500 -0.223 0.000 2.055 73 R HA -0.153 3.472 4.340 -1.192 0.000 0.226 73 R C 0.971 177.064 176.300 -0.344 0.000 1.135 73 R CA 2.937 58.728 56.100 -0.514 0.000 0.959 73 R CB 0.199 30.391 30.300 -0.180 0.000 0.854 73 R HN 0.883 9.004 8.270 -0.068 0.108 0.431 74 T N -5.562 108.891 114.554 -0.167 0.000 3.044 74 T HA 0.063 4.352 4.350 -0.101 0.000 0.250 74 T C 0.517 175.160 174.700 -0.095 0.000 1.081 74 T CA 0.112 62.151 62.100 -0.103 0.000 1.040 74 T CB 0.432 69.279 68.868 -0.036 0.000 0.962 74 T HN -0.183 7.988 8.240 -0.115 0.000 0.506 75 R N 1.309 121.745 120.500 -0.106 0.000 2.457 75 R HA 0.218 4.540 4.340 -0.030 0.000 0.284 75 R C -1.123 175.127 176.300 -0.084 0.000 1.024 75 R CA -1.658 54.401 56.100 -0.069 0.000 1.025 75 R CB 0.695 30.960 30.300 -0.058 0.000 1.063 75 R HN -0.792 7.403 8.270 -0.126 0.000 0.493 76 Y N 4.091 124.305 120.300 -0.143 0.000 2.488 76 Y HA 0.345 4.930 4.550 -0.207 -0.159 0.385 76 Y C 0.329 176.158 175.900 -0.119 0.000 1.371 76 Y CA -0.758 57.248 58.100 -0.158 0.000 1.712 76 Y CB 1.641 40.020 38.460 -0.135 0.000 1.715 76 Y HN 0.134 8.469 8.280 0.092 0.000 0.607 77 R N 0.817 120.956 120.500 -0.602 0.000 2.563 77 R HA 0.233 4.206 4.340 -0.612 0.000 0.262 77 R C -0.855 175.302 176.300 -0.239 0.000 1.128 77 R CA 0.771 56.626 56.100 -0.408 0.000 0.969 77 R CB 1.392 31.632 30.300 -0.100 0.000 1.251 77 R HN 0.344 8.340 8.270 -0.456 0.000 0.442 78 N N 1.410 120.008 118.700 -0.170 0.000 2.936 78 N HA -0.357 4.354 4.740 -0.049 0.000 0.236 78 N C -1.149 174.296 175.510 -0.109 0.000 0.930 78 N CA 1.594 54.588 53.050 -0.093 0.000 0.966 78 N CB -0.227 38.224 38.487 -0.060 0.000 1.090 78 N HN 0.644 8.927 8.380 -0.161 0.000 0.592 79 I N -2.809 117.643 120.570 -0.197 0.000 3.570 79 I HA -0.078 4.009 4.170 -0.139 0.000 0.270 79 I C -1.645 174.382 176.117 -0.149 0.000 1.162 79 I CA 0.318 61.484 61.300 -0.222 0.000 1.413 79 I CB 2.085 39.843 38.000 -0.404 0.000 1.437 79 I HN -0.323 7.644 8.210 -0.270 0.081 0.457 80 E N -0.008 120.065 120.200 -0.212 0.000 2.318 80 E HA 0.207 4.658 4.350 -0.054 -0.134 0.265 80 E C -0.745 175.813 176.600 -0.070 0.000 1.069 80 E CA -0.911 55.411 56.400 -0.129 0.000 0.893 80 E CB 1.634 31.221 29.700 -0.187 0.000 1.076 80 E HN -0.408 7.764 8.360 -0.314 0.000 0.414 81 K N -0.129 120.271 120.400 -0.000 0.000 2.316 81 K HA 0.397 4.742 4.320 0.042 0.000 0.251 81 K C -1.688 174.939 176.600 0.046 0.000 0.934 81 K CA -1.344 54.966 56.287 0.038 0.000 0.802 81 K CB 3.604 36.138 32.500 0.057 0.000 1.171 81 K HN 0.520 8.672 8.250 0.013 0.106 0.426 82 I N 3.383 123.988 120.570 0.059 0.000 2.406 82 I HA 0.903 5.318 4.170 0.040 -0.222 0.290 82 I C -0.227 175.916 176.117 0.042 0.000 0.999 82 I CA -1.083 60.246 61.300 0.049 0.000 1.124 82 I CB 2.288 40.324 38.000 0.060 0.000 1.289 82 I HN 0.343 8.593 8.210 0.067 0.000 0.441 83 S N 6.419 122.144 115.700 0.041 0.000 2.638 83 S HA 0.404 4.886 4.470 0.020 0.000 0.302 83 S C -1.641 172.973 174.600 0.024 0.000 1.096 83 S CA -1.038 57.178 58.200 0.027 0.000 0.953 83 S CB 3.186 66.401 63.200 0.025 0.000 1.107 83 S HN 0.707 8.940 8.310 0.048 0.107 0.503 84 M N 0.635 120.238 119.600 0.006 0.000 2.654 84 M HA 0.306 4.793 4.480 0.013 0.000 0.310 84 M C -1.057 175.232 176.300 -0.019 0.000 1.211 84 M CA -0.589 54.711 55.300 -0.000 0.000 0.947 84 M CB 3.666 36.262 32.600 -0.008 0.000 1.647 84 M HN 0.286 8.575 8.290 -0.002 0.000 0.481 85 L N -0.968 120.241 121.223 -0.024 0.000 2.322 85 L HA 0.266 4.702 4.340 -0.061 -0.132 0.279 85 L C -0.938 175.891 176.870 -0.068 0.000 1.036 85 L CA -0.466 54.345 54.840 -0.049 0.000 0.807 85 L CB 0.814 42.850 42.059 -0.038 0.000 1.226 85 L HN 0.627 8.847 8.230 -0.016 0.000 0.433 86 E N 2.310 122.452 120.200 -0.097 0.000 2.094 86 E HA -0.070 4.235 4.350 -0.075 0.000 0.193 86 E C 0.145 176.672 176.600 -0.122 0.000 0.950 86 E CA 1.434 57.776 56.400 -0.097 0.000 0.842 86 E CB 1.681 31.314 29.700 -0.112 0.000 0.816 86 E HN 0.734 8.918 8.360 -0.118 0.105 0.465 87 K N -3.701 116.601 120.400 -0.162 0.000 2.512 87 K HA 0.219 4.481 4.320 -0.268 -0.103 0.263 87 K C -2.427 173.987 176.600 -0.310 0.000 0.966 87 K CA -2.020 54.092 56.287 -0.292 0.000 0.851 87 K CB 3.636 35.896 32.500 -0.399 0.000 1.395 87 K HN -0.653 7.503 8.250 -0.158 0.000 0.440 88 I N 0.069 120.376 120.570 -0.439 0.000 2.545 88 I HA 0.479 4.785 4.170 -0.032 -0.155 0.292 88 I C -0.879 174.980 176.117 -0.429 0.000 1.040 88 I CA -1.165 60.000 61.300 -0.226 0.000 1.068 88 I CB 3.246 41.186 38.000 -0.099 0.000 1.251 88 I HN 0.159 8.143 8.210 -0.513 -0.083 0.424 89 Y N 5.522 125.918 120.300 0.160 0.000 2.338 89 Y HA 0.168 4.802 4.550 0.141 0.000 0.333 89 Y C -1.680 174.432 175.900 0.353 0.000 0.968 89 Y CA -0.860 57.371 58.100 0.219 0.000 1.123 89 Y CB 2.277 40.866 38.460 0.215 0.000 1.165 89 Y HN 0.785 9.263 8.280 0.331 0.000 0.452 90 I N 2.374 123.181 120.570 0.395 0.000 2.498 90 I HA 0.184 4.484 4.170 0.217 0.000 0.301 90 I C -0.560 175.673 176.117 0.192 0.000 0.984 90 I CA -1.876 59.572 61.300 0.246 0.000 1.204 90 I CB 1.693 39.789 38.000 0.160 0.000 1.362 90 I HN 0.398 8.801 8.210 0.322 0.000 0.471 91 H N 7.105 126.011 119.070 -0.272 0.000 3.004 91 H HA 0.017 3.847 4.556 -1.210 0.000 0.316 91 H C 0.276 175.515 175.328 -0.148 0.000 1.014 91 H CA 0.554 56.185 56.048 -0.694 0.000 1.454 91 H CB 1.309 30.586 29.762 -0.808 0.000 1.472 91 H HN -0.329 7.871 8.280 -0.132 0.000 0.571 92 P HA -0.183 4.347 4.420 0.183 0.000 0.220 92 P C -0.108 177.330 177.300 0.231 0.000 1.144 92 P CA 1.562 64.761 63.100 0.164 0.000 0.800 92 P CB 0.349 32.117 31.700 0.113 0.000 0.772 93 R N -3.606 117.119 120.500 0.375 0.000 2.633 93 R HA 0.219 4.604 4.340 0.074 0.000 0.348 93 R C -0.545 175.766 176.300 0.019 0.000 1.100 93 R CA -1.406 54.764 56.100 0.116 0.000 1.068 93 R CB -0.129 30.197 30.300 0.043 0.000 1.351 93 R HN -0.287 8.520 8.270 0.977 0.049 0.575 94 Y N 3.729 124.029 120.300 -0.000 0.000 2.544 94 Y HA -0.066 4.695 4.550 -0.109 -0.276 0.330 94 Y C -0.810 175.091 175.900 0.001 0.000 1.136 94 Y CA -1.005 57.088 58.100 -0.012 0.000 1.417 94 Y CB 0.286 38.801 38.460 0.092 0.000 1.229 94 Y HN -0.506 7.882 8.280 0.310 0.078 0.532 95 N N 8.034 126.550 118.700 -0.306 0.000 2.801 95 N HA 0.144 4.528 4.740 -0.595 0.000 0.235 95 N C -0.851 174.300 175.510 -0.599 0.000 1.069 95 N CA -2.002 50.753 53.050 -0.492 0.000 0.946 95 N CB -0.445 37.864 38.487 -0.297 0.000 1.212 95 N HN 0.577 8.820 8.380 -0.053 0.105 0.509 96 W N 3.101 123.919 121.300 -0.803 0.000 3.043 96 W HA 0.083 4.475 4.660 -0.447 0.000 0.435 96 W C -0.436 175.904 176.519 -0.298 0.000 0.851 96 W CA -2.370 54.636 57.345 -0.565 0.000 2.031 96 W CB -2.459 26.692 29.460 -0.515 0.000 0.919 96 W HN -0.017 7.452 8.180 -1.186 0.000 0.796 97 E N 3.339 123.335 120.200 -0.340 0.000 2.170 97 E HA -0.485 3.724 4.350 -0.235 0.000 0.229 97 E C -0.288 176.144 176.600 -0.280 0.000 1.074 97 E CA 3.298 59.539 56.400 -0.265 0.000 0.930 97 E CB -0.039 29.516 29.700 -0.241 0.000 0.806 97 E HN -0.093 8.350 8.360 -0.410 -0.328 0.478 98 N N -4.485 114.046 118.700 -0.281 0.000 2.307 98 N HA 0.078 4.511 4.740 -0.511 0.000 0.248 98 N C -0.682 174.650 175.510 -0.297 0.000 1.322 98 N CA -1.067 51.766 53.050 -0.362 0.000 0.861 98 N CB 0.644 38.961 38.487 -0.283 0.000 1.303 98 N HN -0.286 7.941 8.380 -0.255 0.000 0.498 99 L N -3.380 117.740 121.223 -0.172 0.000 3.717 99 L HA -0.493 4.030 4.340 0.169 -0.081 0.414 99 L C -1.939 175.020 176.870 0.149 0.000 1.228 99 L CA 0.834 55.715 54.840 0.070 0.000 0.918 99 L CB -2.638 39.477 42.059 0.094 0.000 1.865 99 L HN 0.053 8.161 8.230 -0.202 0.000 0.922 100 D N -1.545 118.879 120.400 0.040 0.000 2.350 100 D HA -0.063 4.635 4.640 0.097 0.000 0.249 100 D C -0.040 176.296 176.300 0.061 0.000 1.119 100 D CA 0.651 54.678 54.000 0.044 0.000 0.886 100 D CB 1.142 41.920 40.800 -0.037 0.000 1.195 100 D HN -0.830 7.584 8.370 -0.059 -0.079 0.437 101 R N -1.140 119.373 120.500 0.022 0.000 3.261 101 R HA -0.413 3.864 4.340 -0.105 0.000 0.257 101 R C -1.417 174.911 176.300 0.046 0.000 1.014 101 R CA 0.966 57.005 56.100 -0.101 0.000 0.681 101 R CB -1.313 28.730 30.300 -0.428 0.000 1.155 101 R HN 0.696 8.993 8.270 0.045 0.000 0.424 102 D N -1.131 119.346 120.400 0.128 0.000 2.517 102 D HA 0.059 4.696 4.640 -0.004 0.000 0.220 102 D C -1.922 174.390 176.300 0.020 0.000 1.158 102 D CA -0.284 53.778 54.000 0.102 0.000 0.992 102 D CB -0.326 40.627 40.800 0.255 0.000 1.058 102 D HN -0.046 8.408 8.370 0.140 0.000 0.516 103 I N 2.925 123.457 120.570 -0.063 0.000 2.827 103 I HA 0.803 5.202 4.170 0.069 -0.187 0.298 103 I C -3.213 172.915 176.117 0.017 0.000 1.235 103 I CA -1.716 59.597 61.300 0.022 0.000 1.021 103 I CB 4.267 42.318 38.000 0.085 0.000 1.259 103 I HN -0.379 7.716 8.210 -0.141 0.030 0.427 104 A N 4.911 127.842 122.820 0.185 0.000 2.594 104 A HA 0.862 5.575 4.320 0.463 -0.115 0.295 104 A C -2.840 174.996 177.584 0.419 0.000 1.071 104 A CA -1.193 51.035 52.037 0.318 0.000 0.685 104 A CB 3.873 22.966 19.000 0.155 0.000 1.285 104 A HN 0.432 8.704 8.150 0.202 0.000 0.405 105 L N -0.136 121.402 121.223 0.525 0.000 2.354 105 L HA 0.941 5.720 4.340 0.415 -0.190 0.269 105 L C -1.183 176.004 176.870 0.528 0.000 1.005 105 L CA -1.730 53.403 54.840 0.487 0.000 0.819 105 L CB 4.319 46.597 42.059 0.366 0.000 1.311 105 L HN 0.554 9.164 8.230 0.633 0.000 0.423 106 M N 0.077 119.959 119.600 0.471 0.000 2.326 106 M HA 0.619 5.397 4.480 0.225 -0.162 0.306 106 M C -1.741 174.625 176.300 0.110 0.000 1.054 106 M CA -1.033 54.422 55.300 0.259 0.000 0.922 106 M CB 3.754 36.445 32.600 0.151 0.000 1.632 106 M HN 0.728 9.315 8.290 0.495 0.000 0.436 107 K N 4.076 124.378 120.400 -0.162 0.000 2.183 107 K HA 0.688 4.461 4.320 -1.190 -0.167 0.274 107 K C -1.256 175.137 176.600 -0.346 0.000 1.009 107 K CA -1.515 54.352 56.287 -0.700 0.000 0.888 107 K CB 2.794 34.861 32.500 -0.723 0.000 1.078 107 K HN 0.820 9.038 8.250 -0.052 0.000 0.459 108 L N 5.754 126.781 121.223 -0.326 0.000 2.418 108 L HA 0.133 4.534 4.340 -0.107 -0.125 0.265 108 L C 0.247 177.027 176.870 -0.150 0.000 1.143 108 L CA 0.089 54.834 54.840 -0.157 0.000 0.809 108 L CB 0.409 42.412 42.059 -0.093 0.000 1.124 108 L HN 0.585 8.437 8.230 -0.451 0.107 0.456 109 K N 0.059 120.404 120.400 -0.091 0.000 2.032 109 K HA -0.286 3.986 4.320 -0.079 0.000 0.209 109 K C 0.300 176.860 176.600 -0.067 0.000 1.048 109 K CA 2.129 58.374 56.287 -0.071 0.000 0.927 109 K CB 0.610 33.083 32.500 -0.045 0.000 0.712 109 K HN 0.622 8.729 8.250 -0.069 0.102 0.441 110 K N -3.869 116.497 120.400 -0.057 0.000 2.435 110 K HA 0.354 4.643 4.320 -0.052 0.000 0.251 110 K C -3.105 173.464 176.600 -0.052 0.000 0.954 110 K CA -2.759 53.499 56.287 -0.049 0.000 0.820 110 K CB 1.231 33.711 32.500 -0.032 0.000 1.292 110 K HN -0.131 8.088 8.250 -0.051 0.000 0.436 111 P HA 0.030 4.600 4.420 -0.048 -0.179 0.269 111 P C -1.014 176.253 177.300 -0.055 0.000 1.215 111 P CA -0.354 62.711 63.100 -0.058 0.000 0.780 111 P CB 0.461 32.118 31.700 -0.072 0.000 0.898 112 V N 1.797 121.683 119.914 -0.046 0.000 2.850 112 V HA 0.129 4.237 4.120 -0.020 0.000 0.315 112 V C -1.333 174.671 176.094 -0.150 0.000 1.064 112 V CA -2.455 59.831 62.300 -0.024 0.000 0.979 112 V CB 2.470 34.342 31.823 0.082 0.000 1.039 112 V HN -0.186 7.987 8.190 -0.027 0.000 0.452 113 A N 5.843 128.604 122.820 -0.098 0.000 2.306 113 A HA 0.336 4.404 4.320 -0.420 0.000 0.314 113 A C -1.212 176.372 177.584 0.001 0.000 1.164 113 A CA -0.708 51.218 52.037 -0.186 0.000 0.822 113 A CB 1.252 20.208 19.000 -0.075 0.000 1.130 113 A HN 0.039 8.178 8.150 -0.019 0.000 0.496 114 F N -0.247 119.735 119.950 0.052 0.000 2.380 114 F HA 0.255 4.910 4.527 0.079 -0.082 0.325 114 F C 0.120 175.962 175.800 0.069 0.000 1.136 114 F CA -2.304 55.741 58.000 0.075 0.000 1.171 114 F CB 0.911 39.972 39.000 0.100 0.000 1.230 114 F HN 0.022 8.096 8.300 -0.376 0.000 0.554 115 S N -0.358 115.512 115.700 0.283 0.000 2.843 115 S HA 0.215 4.741 4.470 0.093 0.000 0.301 115 S C -0.860 173.725 174.600 -0.026 0.000 1.206 115 S CA -0.967 57.300 58.200 0.111 0.000 0.875 115 S CB 2.188 65.472 63.200 0.139 0.000 1.248 115 S HN 0.414 8.801 8.310 0.315 0.112 0.555 116 D N -2.059 118.177 120.400 -0.274 0.000 2.312 116 D HA -0.038 4.408 4.640 -0.324 0.000 0.211 116 D C 0.373 176.306 176.300 -0.611 0.000 0.964 116 D CA 2.330 56.016 54.000 -0.523 0.000 0.877 116 D CB 0.038 40.345 40.800 -0.822 0.000 0.924 116 D HN 0.430 8.638 8.370 -0.270 0.000 0.515 117 Y N -4.657 115.631 120.300 -0.020 0.000 2.445 117 Y HA 0.088 4.581 4.550 -0.095 0.000 0.247 117 Y C -0.476 175.412 175.900 -0.020 0.000 1.129 117 Y CA -0.572 57.500 58.100 -0.046 0.000 1.251 117 Y CB 1.588 40.028 38.460 -0.034 0.000 1.176 117 Y HN -0.564 7.517 8.280 -0.237 0.057 0.522 118 I N -0.622 120.033 120.570 0.142 0.000 2.448 118 I HA 0.402 4.824 4.170 0.116 -0.182 0.281 118 I C -1.815 174.377 176.117 0.125 0.000 1.027 118 I CA -0.835 60.561 61.300 0.160 0.000 1.111 118 I CB 1.289 39.435 38.000 0.244 0.000 1.236 118 I HN -0.714 7.442 8.210 0.116 0.123 0.452 119 H N 8.538 127.533 119.070 -0.125 0.000 3.029 119 H HA 0.368 4.469 4.556 -0.759 0.000 0.358 119 H C -3.048 172.183 175.328 -0.161 0.000 1.129 119 H CA -1.578 54.271 56.048 -0.331 0.000 1.230 119 H CB 4.361 34.019 29.762 -0.174 0.000 1.827 119 H HN 0.261 8.446 8.280 0.035 0.116 0.530 120 P HA 0.059 4.659 4.420 0.025 -0.165 0.274 120 P C -1.488 175.828 177.300 0.027 0.000 1.231 120 P CA -0.636 62.354 63.100 -0.182 0.000 0.790 120 P CB 1.572 33.089 31.700 -0.305 0.000 0.951 121 V N 0.002 119.899 119.914 -0.028 0.000 2.973 121 V HA 0.101 3.933 4.120 -0.480 0.000 0.314 121 V C -0.339 175.592 176.094 -0.272 0.000 1.066 121 V CA -1.556 60.495 62.300 -0.415 0.000 1.021 121 V CB 2.927 34.190 31.823 -0.933 0.000 1.076 121 V HN 0.048 8.250 8.190 0.020 0.000 0.462 122 C N 4.875 123.957 119.300 -0.364 0.000 2.398 122 C HA 0.197 4.566 4.460 -0.152 0.000 0.364 122 C C -0.839 174.114 174.990 -0.061 0.000 1.219 122 C CA 0.216 59.072 59.018 -0.269 0.000 2.312 122 C CB 0.526 27.881 27.740 -0.643 0.000 2.428 122 C HN -0.124 7.801 8.230 -0.509 0.000 0.564 123 L N 1.428 122.704 121.223 0.089 0.000 2.322 123 L HA 0.477 4.926 4.340 0.182 0.000 0.279 123 L C -0.932 176.138 176.870 0.333 0.000 1.036 123 L CA -2.324 52.630 54.840 0.190 0.000 0.807 123 L CB 0.959 43.107 42.059 0.148 0.000 1.226 123 L HN 0.263 8.533 8.230 0.068 0.000 0.433 124 P HA 0.072 4.537 4.420 0.074 0.000 0.276 124 P C -2.283 175.069 177.300 0.088 0.000 1.252 124 P CA -0.828 62.347 63.100 0.124 0.000 0.802 124 P CB 0.648 32.341 31.700 -0.011 0.000 1.035 125 D N -3.042 117.264 120.400 -0.156 0.000 2.350 125 D HA 0.165 4.875 4.640 0.116 0.000 0.238 125 D C 0.999 176.939 176.300 -0.600 0.000 0.989 125 D CA -2.334 51.583 54.000 -0.138 0.000 0.921 125 D CB 2.442 43.202 40.800 -0.066 0.000 1.297 125 D HN -0.392 7.785 8.370 -0.322 0.000 0.490 126 R N 0.192 120.273 120.500 -0.699 0.000 2.159 126 R HA -0.505 2.715 4.340 -1.866 0.000 0.252 126 R C 1.881 177.868 176.300 -0.523 0.000 1.144 126 R CA 4.340 59.930 56.100 -0.850 0.000 0.961 126 R CB 0.009 30.231 30.300 -0.130 0.000 0.877 126 R HN 0.462 8.625 8.270 -0.177 0.000 0.444 127 E N -4.381 115.625 120.200 -0.324 0.000 2.077 127 E HA -0.173 4.055 4.350 -0.202 0.000 0.193 127 E C 0.235 176.662 176.600 -0.288 0.000 0.989 127 E CA 2.242 58.497 56.400 -0.242 0.000 0.800 127 E CB -0.231 29.371 29.700 -0.163 0.000 0.746 127 E HN -0.342 7.931 8.360 -0.261 -0.070 0.452 128 T N 1.191 115.521 114.554 -0.374 0.000 2.817 128 T HA -0.201 3.940 4.350 -0.348 0.000 0.295 128 T C 0.111 174.583 174.700 -0.380 0.000 0.958 128 T CA 2.800 64.642 62.100 -0.429 0.000 1.157 128 T CB -0.504 67.935 68.868 -0.715 0.000 0.898 128 T HN -0.489 7.698 8.240 -0.393 -0.183 0.536 129 L N 0.878 122.047 121.223 -0.091 0.000 2.346 129 L HA -0.394 4.099 4.340 0.254 0.000 0.468 129 L C -0.365 176.440 176.870 -0.110 0.000 0.714 129 L CA 1.860 56.705 54.840 0.008 0.000 3.079 129 L CB -1.826 40.208 42.059 -0.043 0.000 0.758 129 L HN 0.890 9.025 8.230 -0.159 0.000 0.731 130 L N -0.303 120.782 121.223 -0.230 0.000 2.376 130 L HA -0.045 4.086 4.340 -0.348 0.000 0.250 130 L C -1.137 175.513 176.870 -0.366 0.000 1.335 130 L CA 0.060 54.698 54.840 -0.336 0.000 1.214 130 L CB -2.292 39.534 42.059 -0.388 0.000 1.395 130 L HN -0.005 8.093 8.230 -0.219 0.000 0.424 131 Q N 0.550 120.049 119.800 -0.501 0.000 2.365 131 Q HA 0.238 4.331 4.340 -0.411 0.000 0.269 131 Q C -1.127 174.594 176.000 -0.466 0.000 1.061 131 Q CA -1.933 53.507 55.803 -0.607 0.000 0.816 131 Q CB 4.120 32.217 28.738 -1.069 0.000 1.325 131 Q HN -0.160 7.764 8.270 -0.489 0.053 0.446 132 A N 3.254 125.897 122.820 -0.295 0.000 2.540 132 A HA -0.443 3.932 4.320 -0.154 -0.147 0.239 132 A C 0.680 178.202 177.584 -0.103 0.000 1.061 132 A CA 1.320 53.255 52.037 -0.170 0.000 0.758 132 A CB -0.339 18.583 19.000 -0.129 0.000 0.991 132 A HN 0.542 8.528 8.150 -0.273 0.000 0.502 133 G N 3.525 112.314 108.800 -0.018 0.000 2.279 133 G HA2 -0.353 3.635 3.960 0.046 0.000 0.223 133 G HA3 -0.353 3.674 3.960 0.112 0.000 0.223 133 G C -0.782 174.250 174.900 0.220 0.000 1.015 133 G CA -0.242 44.910 45.100 0.087 0.000 0.621 133 G HN 0.462 8.619 8.290 -0.045 0.105 0.506 134 Y N 2.295 122.560 120.300 -0.059 0.000 2.346 134 Y HA -0.053 4.469 4.550 -0.046 0.000 0.330 134 Y C -0.542 175.338 175.900 -0.033 0.000 1.178 134 Y CA -1.210 56.858 58.100 -0.052 0.000 1.331 134 Y CB 0.569 38.986 38.460 -0.072 0.000 1.253 134 Y HN -0.223 8.082 8.280 0.179 0.082 0.529 135 K N 1.416 121.870 120.400 0.090 0.000 2.110 135 K HA 0.477 5.027 4.320 0.064 -0.192 0.263 135 K C -0.317 176.276 176.600 -0.011 0.000 0.975 135 K CA -0.850 55.461 56.287 0.040 0.000 0.895 135 K CB 2.479 34.984 32.500 0.008 0.000 1.060 135 K HN 0.145 8.407 8.250 0.020 0.000 0.448 136 G N -0.454 108.274 108.800 -0.119 0.000 2.788 136 G HA2 0.680 4.514 3.960 -0.336 0.000 0.293 136 G HA3 0.680 3.812 3.960 -1.380 0.000 0.293 136 G C -2.768 171.783 174.900 -0.581 0.000 1.305 136 G CA -1.481 43.260 45.100 -0.598 0.000 1.005 136 G HN 0.414 8.681 8.290 -0.038 0.000 0.496 137 R N -0.690 119.437 120.500 -0.622 0.000 2.621 137 R HA 0.890 5.291 4.340 -0.195 -0.178 0.292 137 R C -1.943 174.192 176.300 -0.276 0.000 0.969 137 R CA -1.358 54.574 56.100 -0.280 0.000 0.887 137 R CB 4.052 34.324 30.300 -0.046 0.000 1.180 137 R HN 0.514 8.343 8.270 -0.735 0.000 0.450 138 V N 6.881 126.736 119.914 -0.098 0.000 2.680 138 V HA 1.029 5.412 4.120 0.056 -0.229 0.309 138 V C -1.133 174.966 176.094 0.007 0.000 1.052 138 V CA -2.119 60.204 62.300 0.037 0.000 0.908 138 V CB 3.317 35.256 31.823 0.194 0.000 1.001 138 V HN 0.791 8.945 8.190 -0.060 0.000 0.431 139 T N 0.896 115.448 114.554 -0.004 0.000 2.906 139 T HA 0.893 5.346 4.350 -0.122 -0.176 0.295 139 T C -1.034 173.569 174.700 -0.161 0.000 1.061 139 T CA -2.479 59.552 62.100 -0.116 0.000 1.000 139 T CB 3.429 72.193 68.868 -0.174 0.000 1.103 139 T HN -0.241 8.027 8.240 0.045 0.000 0.486 140 G N 0.318 108.930 108.800 -0.312 0.000 2.325 140 G HA2 0.209 3.866 3.960 -0.505 0.000 0.297 140 G HA3 0.209 4.259 3.960 -0.101 -0.151 0.297 140 G C -2.103 172.592 174.900 -0.341 0.000 1.448 140 G CA 0.623 45.528 45.100 -0.326 0.000 0.838 140 G HN -0.222 7.855 8.290 -0.354 0.000 0.579 141 W N 0.808 122.128 121.300 0.033 0.000 3.015 141 W HA 0.369 5.029 4.660 -0.000 0.000 0.429 141 W C -0.336 176.204 176.519 0.035 0.000 0.976 141 W CA -1.249 56.108 57.345 0.019 0.000 2.086 141 W CB -0.180 29.291 29.460 0.019 0.000 1.125 141 W HN 0.576 8.864 8.180 0.180 0.000 0.721 142 G N 0.589 109.499 108.800 0.183 0.000 2.580 142 G HA2 0.057 4.116 3.960 0.160 0.000 0.278 142 G HA3 0.057 4.265 3.960 0.124 -0.174 0.278 142 G C -0.758 174.208 174.900 0.110 0.000 1.212 142 G CA -0.849 44.337 45.100 0.144 0.000 0.939 142 G HN -0.419 8.081 8.290 0.118 -0.139 0.513 143 N N -0.817 117.939 118.700 0.094 0.000 2.292 143 N HA -0.314 4.585 4.740 0.074 -0.114 0.242 143 N C 0.350 175.899 175.510 0.064 0.000 1.243 143 N CA 1.145 54.240 53.050 0.074 0.000 0.851 143 N CB -0.074 38.453 38.487 0.066 0.000 1.093 143 N HN 0.252 8.690 8.380 0.097 0.000 0.450 144 L N -0.069 121.187 121.223 0.055 0.000 2.416 144 L HA 0.118 4.755 4.340 0.046 -0.270 0.216 144 L C 0.524 177.419 176.870 0.041 0.000 1.098 144 L CA 0.791 55.658 54.840 0.046 0.000 0.840 144 L CB 0.980 43.063 42.059 0.041 0.000 0.981 144 L HN 0.279 8.542 8.230 0.055 0.000 0.462 145 K N -4.471 115.954 120.400 0.041 0.000 2.509 145 K HA 0.169 4.510 4.320 0.036 0.000 0.266 145 K C -1.362 175.261 176.600 0.039 0.000 0.987 145 K CA -1.097 55.212 56.287 0.037 0.000 0.868 145 K CB 2.850 35.369 32.500 0.031 0.000 1.421 145 K HN -0.625 7.615 8.250 0.045 0.037 0.444 151 Q N 0.224 120.053 119.800 0.049 0.000 2.359 151 Q HA 0.341 4.726 4.340 0.073 0.000 0.275 151 Q C -1.979 174.060 176.000 0.065 0.000 1.082 151 Q CA -2.418 53.425 55.803 0.066 0.000 0.849 151 Q CB 1.607 30.386 28.738 0.068 0.000 1.377 151 Q HN -0.009 8.287 8.270 0.044 0.000 0.452 152 P HA 0.331 4.784 4.420 0.055 0.000 0.283 152 P C -0.575 176.777 177.300 0.086 0.000 1.271 152 P CA -1.315 61.831 63.100 0.078 0.000 0.841 152 P CB 2.047 33.797 31.700 0.082 0.000 1.122 153 S N -1.418 114.319 115.700 0.061 0.000 2.483 153 S HA 0.031 4.526 4.470 0.040 0.000 0.221 153 S C 0.180 174.809 174.600 0.049 0.000 1.030 153 S CA 1.897 60.124 58.200 0.045 0.000 0.925 153 S CB 0.521 63.737 63.200 0.027 0.000 0.795 153 S HN 0.430 8.768 8.310 0.046 0.000 0.511 154 V N 0.995 120.929 119.914 0.033 0.000 3.019 154 V HA 0.453 4.691 4.120 -0.086 -0.169 0.317 154 V C -0.652 175.429 176.094 -0.022 0.000 1.094 154 V CA -1.259 60.990 62.300 -0.085 0.000 1.000 154 V CB 3.562 35.271 31.823 -0.190 0.000 1.060 154 V HN -0.704 7.505 8.190 0.032 0.000 0.443 155 L N 2.991 124.106 121.223 -0.179 0.000 2.490 155 L HA -0.080 3.748 4.340 -0.854 0.000 0.274 155 L C -1.346 175.348 176.870 -0.293 0.000 1.201 155 L CA 0.830 55.375 54.840 -0.492 0.000 0.869 155 L CB 0.697 42.417 42.059 -0.565 0.000 1.123 155 L HN -0.118 7.898 8.230 -0.357 0.000 0.484 156 Q N 4.263 123.898 119.800 -0.276 0.000 2.248 156 Q HA 0.881 5.344 4.340 -0.097 -0.181 0.263 156 Q C -1.149 174.768 176.000 -0.138 0.000 1.007 156 Q CA -1.927 53.794 55.803 -0.137 0.000 0.877 156 Q CB 3.202 31.896 28.738 -0.073 0.000 1.315 156 Q HN 0.037 8.078 8.270 -0.382 0.000 0.454 157 V N 0.437 120.306 119.914 -0.075 0.000 2.971 157 V HA 0.882 5.170 4.120 -0.068 -0.208 0.309 157 V C -2.735 173.355 176.094 -0.007 0.000 1.130 157 V CA -2.369 59.898 62.300 -0.056 0.000 0.964 157 V CB 4.312 36.095 31.823 -0.067 0.000 1.029 157 V HN 0.603 8.764 8.190 -0.049 0.000 0.427 158 V N 5.163 125.084 119.914 0.012 0.000 2.969 158 V HA 0.295 4.448 4.120 0.056 0.000 0.304 158 V C -3.011 173.113 176.094 0.049 0.000 1.192 158 V CA -1.607 60.726 62.300 0.054 0.000 0.962 158 V CB 4.575 36.450 31.823 0.087 0.000 1.045 158 V HN 0.415 8.604 8.190 -0.001 0.000 0.428 159 N N 7.023 125.770 118.700 0.077 0.000 2.424 159 N HA 0.661 5.568 4.740 -0.021 -0.180 0.271 159 N C -1.089 174.476 175.510 0.092 0.000 0.985 159 N CA -0.653 52.427 53.050 0.050 0.000 0.921 159 N CB 1.334 39.862 38.487 0.068 0.000 1.149 159 N HN 0.264 8.708 8.380 0.107 0.000 0.492 160 L N 2.365 123.601 121.223 0.023 0.000 2.381 160 L HA 0.591 4.813 4.340 -0.197 0.000 0.268 160 L C -2.549 174.282 176.870 -0.066 0.000 0.997 160 L CA -3.264 51.543 54.840 -0.054 0.000 0.818 160 L CB 3.134 45.236 42.059 0.071 0.000 1.310 160 L HN 0.622 8.833 8.230 -0.032 0.000 0.416 161 P HA 0.222 4.808 4.420 -0.015 -0.175 0.279 161 P C -0.815 176.452 177.300 -0.055 0.000 1.239 161 P CA -0.960 62.066 63.100 -0.124 0.000 0.789 161 P CB 0.624 32.197 31.700 -0.212 0.000 0.933 162 I N 1.707 122.274 120.570 -0.004 0.000 2.638 162 I HA -0.136 4.006 4.170 -0.047 0.000 0.286 162 I C -0.032 176.014 176.117 -0.118 0.000 1.088 162 I CA 0.861 62.124 61.300 -0.062 0.000 1.397 162 I CB 1.020 38.947 38.000 -0.122 0.000 1.414 162 I HN 0.412 8.643 8.210 0.035 0.000 0.566 163 V N 5.707 125.521 119.914 -0.167 0.000 2.732 163 V HA 0.199 4.207 4.120 -0.186 0.000 0.310 163 V C -0.585 175.393 176.094 -0.193 0.000 1.053 163 V CA -1.351 60.810 62.300 -0.231 0.000 0.957 163 V CB 2.603 34.153 31.823 -0.455 0.000 1.018 163 V HN -0.068 8.027 8.190 -0.158 0.000 0.452 164 E N 2.986 123.084 120.200 -0.169 0.000 2.376 164 E HA -0.061 4.225 4.350 -0.107 0.000 0.266 164 E C 1.107 177.642 176.600 -0.108 0.000 1.009 164 E CA 0.482 56.812 56.400 -0.117 0.000 0.902 164 E CB 0.167 29.815 29.700 -0.088 0.000 0.972 164 E HN 0.255 8.512 8.360 -0.173 0.000 0.439 165 R N 5.780 126.244 120.500 -0.061 0.000 2.113 165 R HA -0.327 4.008 4.340 -0.009 0.000 0.244 165 R C -0.328 175.973 176.300 0.001 0.000 1.142 165 R CA 5.426 61.518 56.100 -0.013 0.000 0.953 165 R CB -2.373 27.939 30.300 0.020 0.000 0.860 165 R HN 0.572 8.808 8.270 -0.057 0.000 0.438 166 P HA -0.167 4.270 4.420 0.028 0.000 0.216 166 P C 1.335 178.640 177.300 0.008 0.000 1.153 166 P CA 3.279 66.385 63.100 0.009 0.000 0.858 166 P CB -0.665 31.036 31.700 0.002 0.000 0.789 167 V N -2.091 117.800 119.914 -0.038 0.000 2.343 167 V HA -0.455 3.668 4.120 0.004 0.000 0.247 167 V C 1.773 177.828 176.094 -0.064 0.000 1.051 167 V CA 4.339 66.602 62.300 -0.062 0.000 1.036 167 V CB -0.476 31.254 31.823 -0.154 0.000 0.654 167 V HN -0.579 7.564 8.190 -0.058 0.012 0.451 168 c N -1.160 117.376 118.600 -0.107 0.000 2.429 168 c HA -0.303 4.229 4.570 -0.064 0.000 0.277 168 c C 2.799 177.044 174.090 0.258 0.000 1.262 168 c CA 3.210 59.551 56.329 0.021 0.000 1.733 168 c CB -1.959 40.548 42.510 -0.004 0.000 2.010 168 c HN -0.377 7.696 8.230 -0.127 0.080 0.483 169 K N -0.096 120.408 120.400 0.173 0.000 2.097 169 K HA -0.235 4.204 4.320 0.199 0.000 0.205 169 K C 2.316 179.002 176.600 0.143 0.000 1.050 169 K CA 3.208 59.593 56.287 0.163 0.000 0.938 169 K CB -0.235 32.328 32.500 0.105 0.000 0.718 169 K HN 0.044 8.358 8.250 0.108 0.000 0.442 170 D N -3.015 117.458 120.400 0.122 0.000 2.352 170 D HA 0.012 4.709 4.640 0.096 0.000 0.232 170 D C 0.384 176.775 176.300 0.152 0.000 1.055 170 D CA 1.782 55.850 54.000 0.113 0.000 0.891 170 D CB -0.756 40.095 40.800 0.086 0.000 0.897 170 D HN -0.035 8.397 8.370 0.102 0.000 0.529 171 S N -3.451 112.381 115.700 0.219 0.000 2.512 171 S HA 0.003 4.599 4.470 0.211 0.000 0.216 171 S C -0.504 174.231 174.600 0.226 0.000 1.006 171 S CA 0.856 59.214 58.200 0.263 0.000 0.915 171 S CB 1.963 65.440 63.200 0.461 0.000 0.824 171 S HN -0.454 7.906 8.310 0.240 0.094 0.497 172 T N 0.470 115.146 114.554 0.203 0.000 2.778 172 T HA 0.193 4.625 4.350 0.137 0.000 0.293 172 T C -1.374 173.377 174.700 0.084 0.000 1.144 172 T CA -1.133 61.059 62.100 0.153 0.000 1.010 172 T CB 2.417 71.411 68.868 0.210 0.000 1.325 172 T HN -0.789 7.569 8.240 0.197 0.000 0.515 173 R N 0.356 120.879 120.500 0.039 0.000 2.397 173 R HA 0.236 4.584 4.340 0.012 0.000 0.241 173 R C -0.262 176.013 176.300 -0.042 0.000 0.914 173 R CA -0.290 55.810 56.100 0.000 0.000 1.071 173 R CB 0.859 31.148 30.300 -0.018 0.000 1.116 173 R HN 0.289 8.582 8.270 0.038 0.000 0.524 174 I N 0.243 120.774 120.570 -0.066 0.000 2.532 174 I HA -0.039 4.029 4.170 -0.170 0.000 0.292 174 I C -0.432 175.631 176.117 -0.089 0.000 1.014 174 I CA -2.249 58.956 61.300 -0.159 0.000 1.340 174 I CB 0.806 38.578 38.000 -0.381 0.000 1.422 174 I HN -0.340 7.800 8.210 -0.023 0.056 0.528 175 R N 4.601 125.039 120.500 -0.104 0.000 2.296 175 R HA -0.107 4.221 4.340 -0.021 0.000 0.323 175 R C -1.110 175.178 176.300 -0.021 0.000 1.067 175 R CA -0.085 55.985 56.100 -0.051 0.000 0.946 175 R CB -0.320 29.940 30.300 -0.066 0.000 0.991 175 R HN 0.131 8.312 8.270 -0.148 0.000 0.448 176 I N 5.476 126.069 120.570 0.039 0.000 2.532 176 I HA 0.032 4.277 4.170 0.126 0.000 0.292 176 I C -0.022 176.148 176.117 0.088 0.000 1.014 176 I CA -2.260 59.105 61.300 0.107 0.000 1.340 176 I CB 0.529 38.639 38.000 0.182 0.000 1.422 176 I HN 0.137 8.373 8.210 0.044 0.000 0.528 177 T N -1.728 112.891 114.554 0.107 0.000 2.910 177 T HA 0.225 4.603 4.350 0.048 0.000 0.287 177 T C 0.075 174.832 174.700 0.095 0.000 1.050 177 T CA -2.708 59.434 62.100 0.070 0.000 1.011 177 T CB 3.432 72.324 68.868 0.040 0.000 1.195 177 T HN -0.480 7.850 8.240 0.150 0.000 0.540 178 D N -0.907 119.526 120.400 0.055 0.000 2.363 178 D HA -0.086 4.604 4.640 0.083 0.000 0.226 178 D C -0.120 176.211 176.300 0.053 0.000 1.020 178 D CA 1.550 55.578 54.000 0.047 0.000 0.892 178 D CB -0.763 40.030 40.800 -0.011 0.000 0.900 178 D HN 0.308 8.695 8.370 0.029 0.000 0.531 179 N N -1.817 116.931 118.700 0.080 0.000 2.314 179 N HA 0.043 4.837 4.740 0.091 0.000 0.200 179 N C -1.556 174.092 175.510 0.231 0.000 1.135 179 N CA 0.105 53.225 53.050 0.116 0.000 0.835 179 N CB 0.669 39.188 38.487 0.053 0.000 0.989 179 N HN -0.506 7.829 8.380 0.072 0.088 0.478 180 M N -2.337 117.424 119.600 0.268 0.000 2.631 180 M HA 0.899 5.715 4.480 0.200 -0.216 0.288 180 M C -2.229 174.271 176.300 0.333 0.000 1.260 180 M CA -0.534 54.925 55.300 0.266 0.000 0.842 180 M CB 5.326 38.108 32.600 0.304 0.000 1.743 180 M HN -0.658 7.687 8.290 0.243 0.091 0.461 181 F N -4.172 115.847 119.950 0.116 0.000 2.662 181 F HA 0.640 5.169 4.527 0.005 0.000 0.312 181 F C -3.066 172.609 175.800 -0.208 0.000 1.113 181 F CA -1.510 56.464 58.000 -0.042 0.000 0.951 181 F CB 2.484 41.390 39.000 -0.156 0.000 1.344 181 F HN -0.040 8.164 8.300 -0.161 0.000 0.462 182 c N -2.289 116.185 118.600 -0.209 0.000 2.779 182 c HA 1.118 5.442 4.570 -0.687 -0.166 0.314 182 c C -1.947 171.998 174.090 -0.241 0.000 1.231 182 c CA -3.885 52.082 56.329 -0.604 0.000 1.652 182 c CB 4.059 45.835 42.510 -1.222 0.000 2.198 182 c HN 0.436 8.633 8.230 -0.054 0.000 0.483 183 A N 0.199 122.938 122.820 -0.135 0.000 2.520 183 A HA 0.703 5.056 4.320 -0.081 -0.081 0.298 183 A C -2.414 175.242 177.584 0.121 0.000 1.051 183 A CA -0.863 51.165 52.037 -0.015 0.000 0.690 183 A CB 3.153 22.152 19.000 -0.002 0.000 1.281 183 A HN 0.370 8.438 8.150 -0.137 0.000 0.402 184 Y N 2.065 122.482 120.300 0.195 0.000 2.300 184 Y HA -0.033 4.741 4.550 0.160 -0.128 0.328 184 Y C 0.501 176.529 175.900 0.215 0.000 1.270 184 Y CA -0.591 57.607 58.100 0.165 0.000 1.352 184 Y CB 1.834 40.350 38.460 0.095 0.000 1.286 184 Y HN 0.150 8.613 8.280 0.305 0.000 0.536 185 K N -1.031 119.590 120.400 0.367 0.000 2.400 185 K HA -0.003 4.541 4.320 0.374 0.000 0.194 185 K C 0.264 176.973 176.600 0.182 0.000 1.033 185 K CA -0.473 55.989 56.287 0.291 0.000 1.021 185 K CB -0.006 32.628 32.500 0.224 0.000 0.808 185 K HN 0.235 8.708 8.250 0.370 0.000 0.505 186 K N -1.604 118.615 120.400 -0.302 0.000 2.820 186 K HA -0.461 3.646 4.320 -0.354 0.000 0.584 186 K C -1.332 175.031 176.600 -0.395 0.000 2.551 186 K CA 1.109 57.054 56.287 -0.569 0.000 1.977 186 K CB -0.086 31.615 32.500 -1.332 0.000 2.473 186 K HN -0.001 8.105 8.250 -0.239 0.000 0.448 187 R N 0.134 120.498 120.500 -0.227 0.000 3.045 187 R HA 0.276 4.675 4.340 0.100 0.000 0.245 187 R C -1.574 174.822 176.300 0.160 0.000 1.333 187 R CA -1.483 54.633 56.100 0.026 0.000 1.036 187 R CB 2.394 32.699 30.300 0.009 0.000 1.340 187 R HN 0.059 8.181 8.270 -0.247 0.000 0.488 188 G N -1.544 107.354 108.800 0.162 0.000 2.379 188 G HA2 -0.180 4.154 3.960 0.120 0.000 0.609 188 G HA3 -0.180 3.915 3.960 0.224 0.000 0.609 188 G C -2.499 172.498 174.900 0.162 0.000 1.484 188 G CA -0.337 44.866 45.100 0.171 0.000 0.921 188 G HN 0.224 8.933 8.290 0.119 -0.347 0.658 189 D N -0.679 119.800 120.400 0.132 0.000 2.807 189 D HA 0.214 4.952 4.640 0.164 0.000 0.279 189 D C -2.501 173.867 176.300 0.114 0.000 1.247 189 D CA -0.248 53.828 54.000 0.126 0.000 0.749 189 D CB 3.167 44.016 40.800 0.082 0.000 1.264 189 D HN -0.228 8.212 8.370 0.116 0.000 0.421 190 A N -1.153 121.734 122.820 0.113 0.000 2.239 190 A HA 0.288 4.729 4.320 0.099 -0.062 0.303 190 A C -1.976 175.650 177.584 0.069 0.000 1.114 190 A CA -1.030 51.066 52.037 0.097 0.000 0.871 190 A CB 2.303 21.361 19.000 0.097 0.000 1.201 190 A HN 0.318 8.534 8.150 0.110 0.000 0.506 191 c N -3.444 115.199 118.600 0.072 0.000 3.293 191 c HA 0.211 4.821 4.570 0.067 0.000 0.362 191 c C -1.342 172.800 174.090 0.087 0.000 1.539 191 c CA -0.927 55.445 56.329 0.072 0.000 1.201 191 c CB 3.271 45.821 42.510 0.067 0.000 1.770 191 c HN 0.119 8.656 8.230 0.080 -0.259 0.440 192 E N 1.768 122.021 120.200 0.087 0.000 2.652 192 E HA -0.348 4.071 4.350 0.114 0.000 0.255 192 E C 0.652 177.317 176.600 0.108 0.000 0.952 192 E CA 2.342 58.801 56.400 0.099 0.000 0.947 192 E CB 0.544 30.294 29.700 0.082 0.000 0.912 192 E HN 0.497 8.904 8.360 0.077 0.000 0.489 193 G N 5.925 114.799 108.800 0.124 0.000 2.232 193 G HA2 -0.358 3.682 3.960 0.133 0.000 0.226 193 G HA3 -0.358 3.686 3.960 0.140 0.000 0.226 193 G C 0.720 175.712 174.900 0.154 0.000 0.996 193 G CA 0.869 46.052 45.100 0.137 0.000 0.626 193 G HN 0.834 9.205 8.290 0.134 0.000 0.509 194 D N 1.217 121.697 120.400 0.134 0.000 2.346 194 D HA 0.076 4.794 4.640 0.130 0.000 0.206 194 D C 0.065 176.441 176.300 0.125 0.000 1.001 194 D CA 0.810 54.884 54.000 0.123 0.000 0.871 194 D CB 0.620 41.481 40.800 0.101 0.000 0.943 194 D HN 0.188 8.546 8.370 0.124 0.087 0.518 195 S N -0.595 115.186 115.700 0.135 0.000 2.561 195 S HA -0.579 4.101 4.470 0.148 -0.122 0.294 195 S C 0.861 175.498 174.600 0.062 0.000 1.294 195 S CA 2.758 61.035 58.200 0.130 0.000 1.055 195 S CB 0.141 63.443 63.200 0.170 0.000 0.819 195 S HN -0.360 8.000 8.310 0.147 0.038 0.503 196 G N 4.172 113.004 108.800 0.053 0.000 2.241 196 G HA2 -0.447 3.621 3.960 0.042 0.000 0.244 196 G HA3 -0.447 3.663 3.960 0.033 -0.131 0.244 196 G C -0.241 174.734 174.900 0.125 0.000 0.998 196 G CA 0.113 45.247 45.100 0.058 0.000 0.621 196 G HN 0.794 9.027 8.290 0.081 0.105 0.519 197 G N 0.849 109.735 108.800 0.144 0.000 2.616 197 G HA2 0.364 4.488 3.960 0.166 0.000 0.268 197 G HA3 0.364 4.410 3.960 0.144 0.000 0.268 197 G C -2.727 172.298 174.900 0.208 0.000 1.213 197 G CA -2.012 43.187 45.100 0.164 0.000 0.926 197 G HN -0.405 7.873 8.290 0.133 0.092 0.523 198 P HA 0.449 5.171 4.420 0.251 -0.151 0.290 198 P C -2.048 175.409 177.300 0.261 0.000 1.275 198 P CA -1.292 61.947 63.100 0.232 0.000 0.841 198 P CB 1.705 33.520 31.700 0.193 0.000 1.042 199 F N 3.916 123.945 119.950 0.132 0.000 2.427 199 F HA 0.795 5.569 4.527 0.058 -0.212 0.348 199 F C -2.139 173.716 175.800 0.092 0.000 1.125 199 F CA -2.504 55.533 58.000 0.061 0.000 0.989 199 F CB 3.052 41.989 39.000 -0.106 0.000 1.165 199 F HN 0.098 8.624 8.300 0.377 0.000 0.442 200 V N 3.555 123.380 119.914 -0.148 0.000 3.074 200 V HA 0.978 5.312 4.120 0.130 -0.136 0.314 200 V C -2.200 173.913 176.094 0.031 0.000 1.117 200 V CA -3.174 59.152 62.300 0.044 0.000 1.014 200 V CB 4.043 35.937 31.823 0.118 0.000 1.057 200 V HN 0.891 8.891 8.190 -0.317 0.000 0.438 201 M N -0.380 119.312 119.600 0.153 0.000 2.550 201 M HA 0.403 4.888 4.480 0.008 0.000 0.292 201 M C -1.984 174.243 176.300 -0.121 0.000 1.221 201 M CA -0.588 54.729 55.300 0.028 0.000 0.873 201 M CB 5.111 37.715 32.600 0.007 0.000 1.727 201 M HN 0.650 9.057 8.290 0.196 0.000 0.459 202 K N 1.434 121.537 120.400 -0.496 0.000 2.265 202 K HA 0.384 4.323 4.320 -0.887 -0.151 0.267 202 K C -0.698 175.671 176.600 -0.385 0.000 0.994 202 K CA -1.143 54.628 56.287 -0.859 0.000 0.860 202 K CB 1.338 32.937 32.500 -1.502 0.000 1.099 202 K HN 0.312 8.321 8.250 -0.402 0.000 0.448 203 S N 7.115 122.698 115.700 -0.196 0.000 2.110 203 S HA -0.249 4.145 4.470 -0.126 0.000 0.152 203 S C 0.804 175.316 174.600 -0.146 0.000 1.404 203 S CA 1.429 59.567 58.200 -0.103 0.000 2.390 203 S CB 1.108 64.343 63.200 0.059 0.000 0.276 203 S HN 0.749 8.977 8.310 -0.137 0.000 0.349 204 N N 0.308 119.001 118.700 -0.013 0.000 2.139 204 N HA -0.360 4.378 4.740 -0.003 0.000 0.233 204 N C -0.316 175.189 175.510 -0.009 0.000 1.321 204 N CA 1.010 54.063 53.050 0.006 0.000 0.801 204 N CB -1.352 37.161 38.487 0.045 0.000 1.254 204 N HN 0.569 8.943 8.380 -0.010 0.000 0.625 205 N N -5.616 113.054 118.700 -0.049 0.000 2.753 205 N HA -0.471 4.271 4.740 -0.154 -0.094 0.251 205 N C -1.534 173.905 175.510 -0.118 0.000 1.097 205 N CA 1.690 54.683 53.050 -0.095 0.000 0.786 205 N CB -0.463 37.994 38.487 -0.050 0.000 1.137 205 N HN -0.127 8.217 8.380 -0.060 0.000 0.566 206 R N -3.436 117.010 120.500 -0.090 0.000 2.573 206 R HA 0.140 4.453 4.340 -0.046 0.000 0.272 206 R C -1.028 175.115 176.300 -0.261 0.000 1.009 206 R CA -1.034 54.981 56.100 -0.141 0.000 1.059 206 R CB 2.327 32.478 30.300 -0.249 0.000 1.112 206 R HN -0.455 7.752 8.270 -0.015 0.054 0.517 207 W N -0.890 120.261 121.300 -0.249 0.000 2.390 207 W HA 0.472 5.268 4.660 -0.078 -0.183 0.312 207 W C -0.282 175.910 176.519 -0.545 0.000 1.123 207 W CA -0.668 56.517 57.345 -0.267 0.000 1.202 207 W CB 1.541 30.829 29.460 -0.287 0.000 1.251 207 W HN 0.244 8.459 8.180 0.059 0.000 0.511 208 Y N 0.529 120.812 120.300 -0.028 0.000 2.446 208 Y HA 0.408 5.079 4.550 -0.109 -0.186 0.345 208 Y C -1.245 174.621 175.900 -0.057 0.000 0.984 208 Y CA -1.584 56.471 58.100 -0.074 0.000 1.058 208 Y CB 4.329 42.756 38.460 -0.054 0.000 1.220 208 Y HN 0.976 9.388 8.280 0.220 0.000 0.455 209 Q N 2.672 122.519 119.800 0.078 0.000 2.390 209 Q HA 0.354 4.882 4.340 0.091 -0.133 0.249 209 Q C -0.526 175.595 176.000 0.202 0.000 0.996 209 Q CA -0.921 54.937 55.803 0.091 0.000 0.899 209 Q CB 1.158 29.912 28.738 0.027 0.000 1.216 209 Q HN 0.486 8.798 8.270 0.070 0.000 0.465 210 M N 5.363 125.121 119.600 0.263 0.000 2.394 210 M HA 0.079 4.657 4.480 0.163 0.000 0.266 210 M C -0.346 176.161 176.300 0.345 0.000 1.098 210 M CA -0.307 55.130 55.300 0.227 0.000 1.149 210 M CB 0.540 33.223 32.600 0.139 0.000 1.369 210 M HN 0.025 8.496 8.290 0.302 0.000 0.450 211 G N -4.114 104.969 108.800 0.470 0.000 2.733 211 G HA2 0.639 5.034 3.960 0.364 0.000 0.288 211 G HA3 0.639 4.772 3.960 0.288 0.000 0.288 211 G C -3.055 172.043 174.900 0.331 0.000 1.373 211 G CA -0.914 44.418 45.100 0.387 0.000 0.895 211 G HN -0.388 8.218 8.290 0.527 0.000 0.479 212 I N -1.375 119.357 120.570 0.269 0.000 2.545 212 I HA 0.603 5.131 4.170 0.274 -0.194 0.292 212 I C -0.484 175.777 176.117 0.240 0.000 1.040 212 I CA -1.488 59.962 61.300 0.251 0.000 1.068 212 I CB 4.386 42.497 38.000 0.186 0.000 1.251 212 I HN -0.333 8.074 8.210 0.194 -0.080 0.424 213 V N 6.671 126.721 119.914 0.228 0.000 2.485 213 V HA -0.195 3.750 4.120 -0.293 0.000 0.287 213 V C -1.051 175.053 176.094 0.016 0.000 1.022 213 V CA 1.912 64.222 62.300 0.016 0.000 1.067 213 V CB -0.962 30.923 31.823 0.103 0.000 0.967 213 V HN 0.674 8.903 8.190 0.247 0.109 0.479 214 S N 6.965 122.597 115.700 -0.113 0.000 2.811 214 S HA 0.251 5.009 4.470 0.331 -0.090 0.237 214 S C -0.674 174.072 174.600 0.244 0.000 1.038 214 S CA 0.965 59.257 58.200 0.154 0.000 0.881 214 S CB 2.342 65.635 63.200 0.155 0.000 0.815 214 S HN 0.263 8.304 8.310 -0.448 0.000 0.582 215 W N -2.502 118.766 121.300 -0.053 0.000 2.937 215 W HA 0.286 4.918 4.660 -0.046 0.000 0.360 215 W C -2.216 174.314 176.519 0.018 0.000 1.215 215 W CA -0.999 56.320 57.345 -0.043 0.000 1.183 215 W CB 1.203 30.608 29.460 -0.092 0.000 1.458 215 W HN -0.420 7.512 8.180 -0.414 0.000 0.574 216 G N -1.500 107.503 108.800 0.338 0.000 2.576 216 G HA2 0.105 4.165 3.960 0.166 0.000 0.290 216 G HA3 0.105 4.119 3.960 0.089 0.000 0.290 216 G C -1.563 173.532 174.900 0.324 0.000 1.442 216 G CA -0.459 44.774 45.100 0.222 0.000 0.792 216 G HN -0.284 8.279 8.290 0.456 0.000 0.491 220 c N 1.786 120.412 118.600 0.044 0.000 3.158 220 c HA 0.303 5.041 4.570 0.043 -0.142 0.228 220 c C -1.396 172.712 174.090 0.030 0.000 2.110 220 c CA -0.909 55.445 56.329 0.041 0.000 1.407 220 c CB -0.894 41.644 42.510 0.047 0.000 2.635 220 c HN 0.083 8.637 8.230 0.038 -0.302 0.509 221 R N -0.759 119.728 120.500 -0.021 0.000 2.833 221 R HA 0.181 4.515 4.340 -0.010 0.000 0.259 221 R C -2.054 174.207 176.300 -0.065 0.000 1.047 221 R CA -0.261 55.824 56.100 -0.025 0.000 0.916 221 R CB 2.901 33.194 30.300 -0.012 0.000 1.259 221 R HN -0.193 8.066 8.270 -0.019 0.000 0.482 222 D N 1.568 121.940 120.400 -0.046 0.000 2.390 222 D HA -0.062 4.530 4.640 -0.081 0.000 0.249 222 D C 1.146 177.393 176.300 -0.088 0.000 1.144 222 D CA 1.271 55.234 54.000 -0.061 0.000 0.880 222 D CB 0.168 40.956 40.800 -0.020 0.000 1.182 222 D HN 0.046 8.402 8.370 -0.024 0.000 0.451 223 G N 1.856 110.561 108.800 -0.158 0.000 2.195 223 G HA2 -0.432 3.498 3.960 -0.050 0.000 0.246 223 G HA3 -0.432 3.509 3.960 -0.032 0.000 0.246 223 G C -0.902 173.847 174.900 -0.252 0.000 0.984 223 G CA 0.102 45.129 45.100 -0.123 0.000 0.633 223 G HN 0.416 8.586 8.290 -0.200 0.000 0.525 224 K N -0.514 119.633 120.400 -0.422 0.000 2.306 224 K HA 0.402 4.663 4.320 -0.099 0.000 0.236 224 K C -1.587 174.527 176.600 -0.809 0.000 1.013 224 K CA -1.721 54.370 56.287 -0.328 0.000 0.857 224 K CB 2.648 35.102 32.500 -0.076 0.000 1.214 224 K HN -0.677 7.278 8.250 -0.382 0.065 0.449 225 Y N -3.175 117.145 120.300 0.034 0.000 2.638 225 Y HA 0.059 4.572 4.550 -0.062 0.000 0.339 225 Y C -1.031 174.739 175.900 -0.218 0.000 1.084 225 Y CA -0.693 57.336 58.100 -0.120 0.000 1.068 225 Y CB 3.467 41.764 38.460 -0.271 0.000 1.294 225 Y HN -0.005 8.370 8.280 0.159 0.000 0.480 226 G N -1.769 106.952 108.800 -0.132 0.000 2.389 226 G HA2 0.532 4.353 3.960 -0.232 0.000 0.317 226 G HA3 0.532 4.344 3.960 -0.246 0.000 0.317 226 G C -2.391 172.056 174.900 -0.755 0.000 1.137 226 G CA -1.478 43.433 45.100 -0.315 0.000 0.870 226 G HN 0.126 8.418 8.290 0.004 0.000 0.496 227 F N 0.882 120.272 119.950 -0.934 0.000 2.480 227 F HA 0.796 5.136 4.527 -0.602 -0.174 0.329 227 F C -0.907 174.226 175.800 -1.112 0.000 1.091 227 F CA -1.344 56.063 58.000 -0.987 0.000 0.972 227 F CB 3.853 41.892 39.000 -1.602 0.000 1.150 227 F HN 0.668 8.553 8.300 -0.692 0.000 0.467 228 Y N 0.055 119.974 120.300 -0.635 0.000 2.499 228 Y HA 0.711 5.213 4.550 -0.341 -0.157 0.347 228 Y C 0.191 175.819 175.900 -0.454 0.000 0.987 228 Y CA -1.874 55.839 58.100 -0.644 0.000 1.044 228 Y CB 3.332 41.060 38.460 -1.221 0.000 1.245 228 Y HN 0.842 8.814 8.280 -0.513 0.000 0.461 229 T N 4.660 119.202 114.554 -0.020 0.000 2.901 229 T HA -0.027 4.547 4.350 0.134 -0.144 0.301 229 T C -0.812 174.008 174.700 0.201 0.000 1.012 229 T CA 1.172 63.340 62.100 0.114 0.000 1.135 229 T CB 0.582 69.539 68.868 0.148 0.000 0.936 229 T HN 0.519 8.778 8.240 0.031 0.000 0.539 230 H N 8.042 127.245 119.070 0.221 0.000 3.067 230 H HA 0.043 4.938 4.556 0.565 0.000 0.265 230 H C 0.474 175.958 175.328 0.260 0.000 1.234 230 H CA -0.306 55.953 56.048 0.352 0.000 1.452 230 H CB -0.394 29.544 29.762 0.293 0.000 1.527 230 H HN 0.061 8.452 8.280 0.344 0.095 0.486 231 V N 7.837 127.986 119.914 0.392 0.000 2.332 231 V HA -0.490 3.803 4.120 0.289 0.000 0.248 231 V C 1.898 178.204 176.094 0.353 0.000 1.055 231 V CA 4.344 66.844 62.300 0.333 0.000 1.038 231 V CB -0.277 31.716 31.823 0.284 0.000 0.651 231 V HN 0.001 8.402 8.190 0.351 0.000 0.450 232 F N -0.292 119.846 119.950 0.314 0.000 2.126 232 F HA -0.295 4.332 4.527 0.168 0.000 0.299 232 F C 1.536 177.450 175.800 0.190 0.000 1.096 232 F CA 2.915 61.056 58.000 0.235 0.000 1.255 232 F CB -0.191 38.942 39.000 0.223 0.000 0.997 232 F HN -0.290 8.344 8.300 0.557 0.000 0.479 233 R N -3.192 117.328 120.500 0.033 0.000 2.241 233 R HA -0.255 3.859 4.340 -0.376 0.000 0.224 233 R C 1.172 177.404 176.300 -0.114 0.000 1.101 233 R CA 2.364 58.342 56.100 -0.204 0.000 0.995 233 R CB -0.190 29.983 30.300 -0.213 0.000 0.870 233 R HN -0.576 7.968 8.270 0.457 0.000 0.463 234 L N -4.177 117.056 121.223 0.017 0.000 2.693 234 L HA 0.311 4.724 4.340 0.122 0.000 0.235 234 L C 0.184 177.153 176.870 0.166 0.000 1.127 234 L CA -0.708 54.210 54.840 0.130 0.000 0.914 234 L CB 0.167 42.346 42.059 0.201 0.000 1.193 234 L HN -0.373 7.746 8.230 0.091 0.165 0.502 235 K N 1.025 121.432 120.400 0.011 0.000 2.152 235 K HA -0.424 3.951 4.320 0.091 0.000 0.206 235 K C 1.186 177.785 176.600 -0.001 0.000 1.048 235 K CA 3.997 60.290 56.287 0.009 0.000 0.933 235 K CB -0.201 32.252 32.500 -0.078 0.000 0.721 235 K HN -0.496 7.498 8.250 -0.110 0.190 0.447 236 K N -2.704 117.683 120.400 -0.022 0.000 2.148 236 K HA -0.205 4.090 4.320 -0.041 0.000 0.204 236 K C 2.049 178.670 176.600 0.036 0.000 1.050 236 K CA 2.509 58.791 56.287 -0.009 0.000 0.942 236 K CB -1.115 31.380 32.500 -0.009 0.000 0.724 236 K HN 0.180 8.369 8.250 -0.069 0.020 0.446 237 W N 1.179 122.448 121.300 -0.051 0.000 2.381 237 W HA -0.283 4.324 4.660 -0.089 0.000 0.301 237 W C 1.478 177.940 176.519 -0.095 0.000 1.205 237 W CA 3.976 61.279 57.345 -0.071 0.000 1.285 237 W CB -0.016 29.415 29.460 -0.048 0.000 1.133 237 W HN -0.636 7.699 8.180 0.281 0.014 0.521 238 I N -1.051 119.469 120.570 -0.083 0.000 2.099 238 I HA -0.785 2.963 4.170 -0.703 0.000 0.239 238 I C 2.001 177.853 176.117 -0.442 0.000 1.066 238 I CA 4.376 65.466 61.300 -0.350 0.000 1.324 238 I CB -0.364 37.607 38.000 -0.047 0.000 1.037 238 I HN -0.496 7.785 8.210 0.232 0.068 0.401 239 Q N -1.647 117.999 119.800 -0.257 0.000 2.077 239 Q HA -0.480 3.710 4.340 -0.248 0.000 0.206 239 Q C 2.271 178.090 176.000 -0.301 0.000 0.989 239 Q CA 3.576 59.236 55.803 -0.239 0.000 0.853 239 Q CB -0.358 28.302 28.738 -0.130 0.000 0.907 239 Q HN 0.170 8.349 8.270 -0.151 0.000 0.418 240 K N -0.078 120.137 120.400 -0.309 0.000 1.985 240 K HA -0.337 3.975 4.320 -0.248 -0.141 0.210 240 K C 2.620 178.969 176.600 -0.418 0.000 1.047 240 K CA 3.217 59.316 56.287 -0.313 0.000 0.932 240 K CB 0.074 32.428 32.500 -0.242 0.000 0.716 240 K HN -0.322 7.759 8.250 -0.272 0.006 0.439 241 V N -1.527 118.027 119.914 -0.600 0.000 2.427 241 V HA -0.334 3.657 4.120 -0.214 0.000 0.248 241 V C 1.590 177.388 176.094 -0.494 0.000 1.051 241 V CA 3.073 65.078 62.300 -0.493 0.000 1.048 241 V CB -0.178 31.127 31.823 -0.863 0.000 0.666 241 V HN -0.414 7.294 8.190 -0.804 0.000 0.456 242 I N 0.909 121.057 120.570 -0.703 0.000 2.090 242 I HA -0.612 2.973 4.170 -0.974 0.000 0.236 242 I C 1.159 177.093 176.117 -0.305 0.000 1.064 242 I CA 4.367 65.235 61.300 -0.720 0.000 1.324 242 I CB -0.291 37.226 38.000 -0.805 0.000 1.044 242 I HN -0.015 7.752 8.210 -0.731 0.005 0.399 243 D N -3.411 116.823 120.400 -0.276 0.000 2.378 243 D HA -0.149 4.554 4.640 -0.114 -0.131 0.227 243 D C 1.323 177.486 176.300 -0.228 0.000 1.012 243 D CA 1.688 55.580 54.000 -0.181 0.000 0.905 243 D CB -0.372 40.337 40.800 -0.151 0.000 0.895 243 D HN -0.171 8.011 8.370 -0.314 0.000 0.532 244 Q N -2.361 117.221 119.800 -0.362 0.000 2.349 244 Q HA 0.001 4.074 4.340 -0.445 0.000 0.209 244 Q C 0.586 176.122 176.000 -0.773 0.000 0.920 244 Q CA 1.409 56.839 55.803 -0.621 0.000 0.901 244 Q CB 1.324 29.532 28.738 -0.883 0.000 1.021 244 Q HN -0.468 7.381 8.270 -0.365 0.202 0.519 245 F N -2.624 117.294 119.950 -0.053 0.000 2.698 245 F HA 0.342 4.925 4.527 0.092 0.000 0.304 245 F C -1.141 174.800 175.800 0.235 0.000 1.108 245 F CA -0.541 57.514 58.000 0.091 0.000 1.263 245 F CB 1.158 40.216 39.000 0.096 0.000 1.013 245 F HN 0.029 8.100 8.300 -0.213 0.101 0.532 246 G N -2.236 106.741 108.800 0.295 0.000 2.288 246 G HA2 -0.136 3.958 3.960 0.223 0.000 0.227 246 G HA3 -0.136 4.112 3.960 0.481 0.000 0.227 246 G C -3.326 171.782 174.900 0.346 0.000 1.339 246 G CA 0.383 45.695 45.100 0.353 0.000 1.057 246 G HN -0.468 7.894 8.290 0.120 0.000 0.470 247 E N 0.000 120.514 120.200 0.523 0.000 2.725 247 E HA 0.000 4.529 4.350 0.298 0.000 0.291 247 E CA 0.000 56.659 56.400 0.432 0.000 0.976 247 E CB 0.000 29.816 29.700 0.192 0.000 0.812 247 E HN 0.000 8.678 8.360 0.531 0.000 0.440