NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2319 8.3349 115.4167 60.3849 63.5880 171.8388 2 R 3.7614 9.9765 125.8098 55.7705 26.6303 170.2239 3 V 4.9683 8.5297 115.4412 60.3520 36.7327 174.6299 4 C 4.3682 8.7114 118.6980 59.1757 28.7554 175.1615 5 Q 2.6285 8.0797 115.9870 55.4660 26.1373 174.1616 6 V 4.4644 7.4131 107.6227 61.3416 35.5265 175.7560 7 T 4.4763 7.5404 106.2341 59.9244 70.5339 175.4866 8 G 3.9857 8.4113 108.7286 45.5872 0.0000 173.5566 9 K 4.4891 7.3942 119.7836 56.0318 33.5162 175.9751 10 R 4.9376 8.1876 117.5112 53.3460 33.0849 172.8768 11 P 4.5458 0.0000 0.0000 63.5465 31.4070 177.6115 12 V 4.3013 8.5195 120.2700 60.9938 33.9718 178.0781 13 T 4.8710 8.0604 115.4614 63.3028 68.9484 172.7006 14 G 4.1599 8.3141 110.7679 46.7647 0.0000 171.8304 15 N 5.1327 8.4364 115.8489 51.5241 40.9939 174.0294 16 N 3.8733 8.9994 123.5289 55.9219 38.8007 173.3208 17 R 3.8431 8.3098 130.2730 56.3159 29.0857 177.2248 18 S 4.6244 8.2335 129.0978 58.7299 63.1134 174.5557 19 H 4.7356 8.7443 117.6916 56.5120 29.7809 174.7775 20 A 4.3454 7.6415 121.6703 51.5099 19.2003 175.4771 21 L 3.6124 7.7512 118.1368 55.5728 37.9152 173.6156 22 N 5.0233 7.6816 117.2610 50.2818 39.9128 171.7260 23 A 4.5120 8.2571 122.0643 52.4096 19.6769 177.0881 24 T 4.5382 8.2759 119.4729 61.3338 72.4704 173.6488 25 K 4.3782 8.8110 125.6429 57.4406 32.3477 177.3366 26 R 4.4336 9.0901 117.8892 56.3558 32.8474 176.3752 27 R 3.9146 8.0262 119.6736 55.8380 29.5619 174.3710 28 F 4.8755 8.0858 113.8735 57.3142 42.6935 173.1789 29 L 5.1604 8.1782 121.3760 52.1922 44.4765 174.7404 30 P 4.2275 0.0000 0.0000 61.9838 32.4591 176.1535 31 N 4.2124 8.8443 119.0230 55.9802 38.6177 176.4790 32 L 4.1148 7.2050 115.7900 55.4559 40.9431 175.1470 33 H 4.8082 7.9830 114.9526 54.4901 28.3012 174.0470 34 S 4.4902 8.3510 118.0700 58.4846 64.2762 172.1606 35 H 4.7457 8.2510 125.3761 54.0725 32.5325 173.6053 36 R 4.3093 8.0915 124.2110 55.3311 29.4089 175.8428 37 F 4.6249 8.0344 122.5677 56.2930 41.3003 174.8017 38 W 3.3603 8.1983 131.7443 55.2997 30.5739 175.4114 39 V 3.6116 8.8133 122.2940 62.7568 29.9520 176.1650 40 E 4.8334 8.9854 120.9569 56.6054 29.2890 176.4862 41 S 4.2771 8.1045 113.0197 60.9892 62.9649 174.5540 42 E 4.4503 8.2741 117.4019 55.3346 31.0881 176.1015 43 K 4.3629 7.8358 114.5256 55.9867 31.7015 176.4052 44 R 3.9803 7.4120 118.3805 56.2243 31.4995 174.5992 45 F 5.3258 8.7017 120.5663 55.0025 40.9834 176.4829 46 V 4.4839 8.0116 121.8234 60.5836 30.7678 173.2923 47 T 4.4151 8.1184 116.1656 62.0321 68.6004 172.4973 48 L 5.0669 8.6863 128.3551 52.5912 45.4931 176.2292 49 R 4.3668 8.3664 121.2516 56.2717 30.6184 176.6134 50 V 5.3198 8.2258 115.1016 61.4089 36.4689 173.1423 51 S 4.9542 8.5047 118.1434 56.6208 64.6948 174.0356 52 A 4.1724 8.1659 126.2549 53.4536 18.6871 176.4602 53 K 4.4375 9.0540 122.7400 56.9602 32.1661 178.7035 54 G 3.7791 7.9170 105.9000 47.3788 0.0000 175.1458 55 M 4.0545 8.0469 119.8479 58.4962 32.3703 178.2362 56 R 4.0953 7.6074 119.1928 58.4597 30.2468 179.2635 57 V 3.5736 7.5539 118.2272 65.9825 31.5450 178.0261 58 I 3.6604 7.7169 119.0415 64.6621 36.5627 177.9793 59 D 4.3241 8.3220 120.1531 56.8098 40.5096 178.3881 60 K 4.1577 7.8399 117.4395 58.3457 32.9743 178.2118 61 K 4.3115 7.8410 118.4456 55.0006 33.2699 177.4069 62 G 3.9750 8.0321 105.8031 45.5014 0.0000 173.7808 63 I 3.3153 8.2225 115.8244 64.1783 38.0656 176.6133 64 D 4.8804 7.6488 121.3808 52.1154 39.2914 175.0253 65 T 4.6845 7.2848 114.9113 64.8232 76.4400 176.1061 66 V 4.2839 7.2707 121.0815 64.9641 31.7253 177.9601 67 L 3.9899 8.2773 117.9549 56.8084 41.9093 178.3977 68 A 4.0596 8.0929 121.1703 55.2251 18.6584 177.7042 69 E 4.2523 7.4496 114.4779 56.5803 31.5011 176.7192 70 L 4.8316 8.6641 122.0978 56.7454 40.1231 177.5200 71 R 3.9112 7.9985 114.7305 59.2552 30.1969 178.2911 72 A 4.0819 8.0321 118.6948 54.0582 18.8487 177.0980 73 R 4.6405 7.6197 114.1324 54.2472 32.6848 176.9607 74 G 3.8815 8.3942 106.5517 46.8663 0.0000 174.9718 75 E 3.8596 7.9816 120.2364 57.7452 29.6657 178.5390 76 K 4.0297 8.0884 115.3359 56.9158 29.7879 176.0031 77 Y 4.6763 7.9124 122.5784 58.5327 37.9454 175.4614 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.33 4.23 0.00 4.03 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 9.98 3.76 0.00 2.12 2.18 0.00 3.22 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 3 V 8.53 4.97 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.07 0.00 0.00 4 C 8.71 4.37 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.08 2.63 0.00 1.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.86 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 6 V 7.41 4.46 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.94 0.00 0.00 7 T 7.54 4.48 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 8 G 8.41 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.39 4.49 0.00 1.76 1.73 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 10 R 8.19 4.94 0.00 1.77 2.06 0.00 3.08 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 11 P 0.00 4.55 0.00 1.99 2.09 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 12 V 8.52 4.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.12 0.00 0.00 13 T 8.06 4.87 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 14 G 8.31 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.44 5.13 0.00 2.59 2.72 0.00 0.00 6.72 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 9.00 3.87 0.00 2.70 3.01 0.00 0.00 7.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.31 3.84 0.00 1.98 1.95 0.00 3.36 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 18 S 8.23 4.62 0.00 4.07 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.74 4.74 0.00 3.21 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.64 4.35 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.75 3.61 0.00 1.82 1.78 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.68 5.02 0.00 2.64 2.67 0.00 0.00 6.87 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.26 4.51 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.28 4.54 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 25 K 8.81 4.38 0.00 1.64 1.82 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 26 R 9.09 4.43 0.00 1.71 1.94 0.00 3.07 0.00 0.00 2.98 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.91 0.00 27 R 8.03 3.91 0.00 2.02 2.14 0.00 3.32 0.00 0.00 3.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 28 F 8.09 4.88 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.18 5.16 0.00 1.63 1.56 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.23 0.00 2.04 2.00 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 31 N 8.84 4.21 0.00 2.67 2.44 0.00 0.00 6.95 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.21 4.11 0.00 1.76 1.71 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.98 4.81 0.00 3.12 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.35 4.49 0.00 3.78 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.25 4.75 0.00 3.17 2.74 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.09 4.31 0.00 1.86 2.29 0.00 3.30 0.00 0.00 2.25 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 37 F 8.03 4.62 0.00 3.19 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.20 3.36 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.81 3.61 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 40 E 8.99 4.83 0.00 2.47 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 41 S 8.10 4.28 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.27 4.45 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 43 K 7.84 4.36 0.00 1.83 2.06 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 2.00 1.56 7.81 44 R 7.41 3.98 0.00 1.87 1.84 0.00 3.16 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 45 F 8.70 5.33 0.00 2.88 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.01 4.48 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 47 T 8.12 4.42 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 48 L 8.69 5.07 0.00 1.91 1.72 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.37 4.37 0.00 1.92 2.02 0.00 3.19 0.00 0.00 3.11 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.49 0.00 50 V 8.23 5.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.21 0.00 0.00 51 S 8.50 4.95 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.17 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.05 4.44 0.00 1.96 2.07 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 54 G 7.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 M 8.05 4.05 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.81 0.00 56 R 7.61 4.10 0.00 2.03 1.97 0.00 3.19 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 57 V 7.55 3.57 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 58 I 7.72 3.66 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 0.75 0.00 0.00 59 D 8.32 4.32 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.84 4.16 0.00 1.91 2.07 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.45 7.81 61 K 7.84 4.31 0.00 1.92 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.54 7.81 62 G 8.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.22 3.32 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.72 0.00 0.00 64 D 7.65 4.88 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.28 4.68 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 66 V 7.27 4.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.94 0.00 0.00 67 L 8.28 3.99 0.00 1.75 1.68 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.09 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.45 4.25 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 70 L 8.66 4.83 0.00 1.92 1.81 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.00 3.91 0.00 1.81 2.00 0.00 3.22 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 72 A 8.03 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.62 4.64 0.00 2.27 1.94 0.00 3.13 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 74 G 8.39 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.98 3.86 0.00 1.97 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 76 K 8.09 4.03 0.00 1.96 2.10 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.53 7.81 77 Y 7.91 4.68 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00