NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4899 8.1627 120.2775 54.7863 34.9713 173.7142 4 V 4.3374 7.7593 120.1002 61.8090 32.3690 170.2273 5 V 4.6588 9.4943 121.4235 58.8225 36.9036 172.7804 6 P 4.7924 0.0000 0.0000 62.2338 32.1650 177.4883 7 L 3.9445 9.0422 126.1062 58.1555 42.2009 179.4958 8 S 4.1991 8.1135 111.8989 60.5369 62.8618 174.5139 9 E 4.5178 7.9451 118.4268 56.1241 29.8219 175.8046 10 M 4.2271 7.8870 119.9266 54.8669 32.7964 176.4599 11 G 3.9952 9.1026 112.7403 42.7439 0.0000 171.0175 12 P 4.4292 0.0000 0.0000 64.4938 31.1408 176.3698 13 G 4.0283 9.3637 112.1709 45.1318 0.0000 173.5017 14 D 4.5902 8.2122 120.3822 54.3001 41.9486 175.7784 15 K 5.0469 8.3579 121.0904 55.0831 36.2422 175.2025 16 G 4.2758 8.7248 108.8073 46.1880 0.0000 171.5975 17 I 4.9779 8.2374 120.6052 58.9592 39.7865 176.0688 18 V 4.0928 8.7473 127.8463 63.6240 31.7186 176.5298 19 V 4.3637 8.6952 120.6542 61.7165 33.9812 175.4619 20 N 4.8560 7.8243 117.0515 52.4557 42.3179 172.8994 21 I 4.8978 8.3345 125.4389 59.5780 39.6395 175.0328 22 L 4.4493 8.8097 127.4275 54.4624 43.2917 175.4968 23 G 3.7259 8.8322 107.0287 44.4141 0.0000 173.8814 24 G 3.9996 8.2577 104.9798 44.4892 0.0000 173.4725 25 H 4.2137 8.7627 118.0657 59.0034 29.9728 177.8944 26 N 4.2243 8.1794 118.3950 56.6993 38.8891 176.5019 27 A 3.9621 7.9062 121.5074 55.2917 18.4656 179.6418 28 R 3.8586 7.9593 116.5766 59.3966 29.6852 179.3866 29 Q 3.8841 8.1411 118.0031 58.6819 28.4806 178.5827 30 K 3.8795 7.6600 119.4347 59.5809 32.5174 178.5636 31 L 4.0635 7.9403 119.4540 57.6464 41.5491 179.8362 32 V 3.6061 8.1208 119.6649 64.5104 30.9976 178.2554 33 S 4.2169 7.5870 113.1947 60.2056 62.7993 174.6524 34 M 2.8563 7.3397 121.4058 54.4022 31.9238 176.8607 35 G 3.8055 7.9166 106.0412 45.7421 0.0000 175.0249 36 L 4.3068 7.3908 119.8967 53.6304 40.7412 175.6169 37 T 4.6445 7.7247 116.7076 58.9048 70.7881 171.3395 38 P 4.6089 0.0000 0.0000 64.6167 31.6213 176.5959 39 G 3.9866 9.3972 112.0213 45.0410 0.0000 173.8281 40 A 4.2123 7.9344 121.9066 52.3379 19.7405 176.5701 41 T 4.8577 8.4292 117.3500 62.3538 70.6320 173.7243 42 I 4.9185 8.7790 125.9672 59.1716 41.7890 173.6662 43 Q 4.9521 8.8713 128.7643 54.2675 32.3634 174.0820 44 V 4.1343 8.7814 126.9019 62.7068 32.3639 176.0657 45 L 4.4021 9.1545 127.8133 56.2414 43.3349 176.8126 46 E 4.6834 7.8126 117.9865 54.9723 33.3375 174.1671 47 S 4.7151 8.3170 120.6667 57.7118 65.3684 172.7440 48 H 5.0907 8.3842 123.1701 53.5575 32.2661 173.6568 49 P 4.1484 0.0000 0.0000 65.7725 31.3036 177.3046 50 M 4.2376 8.0569 114.9794 54.4157 33.4907 177.1058 51 G 3.9147 7.8086 105.4410 43.6275 0.0000 170.8594 52 P 4.6343 0.0000 0.0000 62.6651 32.5046 175.9994 53 I 4.3422 9.0220 122.1349 60.7939 38.9977 174.9668 54 I 4.9580 8.7075 128.0338 59.9412 38.7600 174.9431 55 I 5.1021 9.1151 120.4431 59.0357 41.6984 174.2067 56 S 5.1674 9.0569 117.0810 56.5699 65.5267 172.7075 57 V 4.7182 8.1350 126.4882 60.2352 34.3164 175.5649 58 G 4.0768 9.9488 116.5756 46.6728 0.0000 174.1859 59 G 3.8903 8.5652 106.0913 44.9091 0.0000 174.0820 60 V 4.1759 7.7782 120.4013 60.8234 33.2277 174.6128 61 R 4.7952 7.9673 125.6622 55.7147 31.2346 175.7656 62 F 5.0496 9.3494 120.6260 55.8732 44.1031 173.2083 63 A 5.1985 8.8141 122.9724 50.4318 20.6068 175.9123 64 I 4.4642 8.9037 123.7763 58.8360 41.0200 175.6405 65 G 4.0602 8.6142 117.3442 45.1501 0.0000 174.5847 66 K 4.0480 8.6979 120.8665 59.0654 32.3094 179.8441 67 G 3.6991 7.9728 105.5115 47.8553 0.0000 175.3700 68 L 3.9596 7.9375 122.9495 57.6116 42.2129 178.7235 69 A 4.0979 8.3815 120.8454 54.6739 18.0734 179.2005 70 G 3.7770 7.7829 102.5746 46.4329 0.0000 175.0476 71 R 4.3616 8.1224 119.8634 55.5740 30.5071 175.3276 72 V 4.7483 7.3020 119.9913 61.2717 33.9158 174.0036 73 M 5.0785 8.9890 127.9278 53.6624 34.5350 175.1768 74 V 4.7788 8.7752 122.8534 60.9749 35.5009 174.3124 75 R 4.6187 9.0947 128.8514 55.3340 30.7285 175.7495 76 K 4.4549 8.8838 127.3132 56.6647 32.9507 177.4162 77 L 4.3830 8.6101 123.1303 54.8737 41.4815 176.4170 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 3 M 8.16 4.49 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 4 V 7.76 4.34 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 5 V 9.49 4.66 2.08 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 0.70 0.00 0.00 0.97 0.00 0.00 6 P 0.00 4.79 0.00 2.07 1.95 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.07 0.00 7 L 9.04 3.94 0.00 1.69 1.90 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.11 4.20 0.00 4.01 4.17 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 E 7.95 4.52 0.00 1.97 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 0.00 2.25 2.25 0.00 10 M 7.89 4.23 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.48 0.00 11 G 9.10 4.00 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 0.00 12 P 0.00 4.43 0.00 2.18 2.08 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 13 G 9.36 4.03 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 0.00 0.00 0.00 14 D 8.21 4.59 0.00 2.72 2.60 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 K 8.36 5.05 0.00 1.67 1.66 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 16 G 8.72 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 0.00 0.00 0.00 0.00 17 I 8.24 4.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.96 0.00 0.00 18 V 8.75 4.09 2.24 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 0.92 0.00 0.00 0.96 0.00 0.00 19 V 8.70 4.36 2.08 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 0.70 0.00 0.00 0.97 0.00 0.00 20 N 7.82 4.86 0.00 2.80 2.59 0.00 0.00 7.02 7.70 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 I 8.33 4.90 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.03 0.89 0.00 0.00 22 L 8.81 4.45 0.00 1.46 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.26 4.00 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 0.00 25 H 8.76 4.21 0.00 3.26 3.32 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.18 4.22 0.00 2.80 2.80 0.00 0.00 7.11 8.58 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 27 A 7.91 3.96 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.96 3.86 0.00 1.94 1.92 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 29 Q 8.14 3.88 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 30 K 7.66 3.88 0.00 1.72 1.95 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 31 L 7.94 4.06 0.00 1.88 1.78 0.92 0.64 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 32 V 8.12 3.61 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 0.85 0.00 0.00 0.89 0.00 0.00 33 S 7.59 4.22 0.00 3.99 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 34 M 7.34 2.86 0.00 1.28 1.79 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.63 0.00 35 G 7.92 3.81 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 36 L 7.39 4.31 0.00 1.70 1.61 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.72 4.64 4.21 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 38 P 0.00 4.61 0.00 2.07 2.00 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 39 G 9.40 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 40 A 7.93 4.21 1.32 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 41 T 8.43 4.86 4.25 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 1.28 0.00 0.00 42 I 8.78 4.92 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.63 0.97 0.00 0.00 43 Q 8.87 4.95 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 44 V 8.78 4.13 2.27 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 0.93 0.00 0.00 0.93 0.00 0.00 45 L 9.15 4.40 0.00 1.63 1.68 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.81 4.68 0.00 1.98 1.71 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 2.18 2.25 0.00 47 S 8.32 4.72 0.00 3.84 3.63 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 48 H 8.38 5.09 0.00 3.26 3.14 0.00 5.90 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.15 0.00 2.06 2.10 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 50 M 8.06 4.24 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 51 G 7.81 3.91 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 52 P 0.00 4.63 0.00 2.11 2.08 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 53 I 9.02 4.34 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 0.97 0.00 0.00 54 I 8.71 4.96 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.05 0.92 0.00 0.00 55 I 9.12 5.10 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.94 0.00 0.00 56 S 9.06 5.17 0.00 3.86 3.71 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 57 V 8.14 4.72 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 1.16 0.00 0.00 1.05 0.00 0.00 58 G 9.95 4.08 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 59 G 8.57 3.89 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 60 V 7.78 4.18 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 0.49 0.00 0.00 0.92 0.00 0.00 61 R 7.97 4.80 0.00 1.57 1.73 0.00 3.17 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 62 F 9.35 5.05 0.00 2.90 2.81 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 A 8.81 5.20 1.26 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 64 I 8.90 4.46 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.45 0.99 0.00 0.00 65 G 8.61 4.06 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 66 K 8.70 4.05 0.00 1.74 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.61 7.81 67 G 7.97 3.70 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 68 L 7.94 3.96 0.00 1.75 1.66 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.38 4.10 1.36 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 70 G 7.78 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 71 R 8.12 4.36 0.00 1.89 2.12 0.00 3.24 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 72 V 7.30 4.75 2.17 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 1.05 0.00 0.00 0.91 0.00 0.00 73 M 8.99 5.08 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 74 V 8.78 4.78 2.08 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 1.07 0.00 0.00 0.93 0.00 0.00 75 R 9.09 4.62 0.00 1.93 1.80 0.00 3.35 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 76 K 8.88 4.45 0.00 1.85 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.43 7.81 77 L 8.61 4.38 0.00 1.49 1.55 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00