NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5991 8.1476 118.3251 55.2689 33.6552 173.6014 2 Q 4.6402 8.0995 116.3719 52.7450 31.6719 173.1858 3 I 3.8166 9.3562 118.8565 58.8899 41.6718 175.3252 4 F 5.3867 8.2302 119.7141 55.6576 42.7492 174.7516 5 V 4.7990 8.4768 122.9172 61.0079 33.4066 174.2803 6 K 4.8714 8.8704 130.7895 56.2290 33.6515 176.2022 7 T 4.7291 8.9763 117.2832 59.6886 71.6455 175.0355 8 L 4.5734 8.3986 119.0410 55.5471 41.0950 178.0611 9 T 4.2978 7.7673 109.9104 61.3914 69.9120 175.4966 10 G 3.9722 8.2117 110.3819 44.7212 0.0000 173.2916 11 K 4.3000 7.9321 121.3526 56.2415 33.6210 175.7068 12 T 4.8973 8.4176 122.2676 61.8377 71.6582 173.2230 13 I 4.4405 8.4292 127.7221 59.8481 39.0872 175.1001 14 T 4.5721 8.6588 118.8081 61.1225 69.6238 173.9591 15 L 4.7938 8.9914 127.8584 52.5462 44.4396 175.4711 16 E 4.7807 8.6828 122.1404 55.4752 30.7551 175.6533 17 V 4.5623 8.9469 117.3832 60.0559 36.6525 173.6967 18 E 4.7864 9.1679 119.7248 54.0737 33.1906 176.2251 19 P 4.2899 0.0000 0.0000 65.4241 31.6014 178.6245 20 S 4.4044 7.9109 110.6897 59.3852 63.5070 174.1549 21 D 4.4684 8.0015 123.2272 54.5260 41.3340 176.0024 22 T 4.7306 8.0924 113.4607 60.5548 72.0527 176.1664 23 I 3.6981 7.8674 121.6639 64.4590 36.8503 178.7523 24 E 4.0145 8.0859 117.0833 59.2984 29.8000 178.4084 25 N 4.4350 7.7127 117.2103 56.2664 38.6424 177.4022 26 V 3.5778 7.6819 119.5109 65.9779 31.5956 178.1035 27 K 4.3668 8.4060 118.7515 58.0479 31.5972 179.2745 28 A 3.9790 7.7308 121.1151 54.8377 18.6623 179.3618 29 K 4.0063 7.9930 116.4962 59.7916 32.2874 178.9145 30 I 3.6555 7.5711 119.8596 65.0165 37.2942 178.2269 31 Q 4.0816 8.1307 119.5927 58.8777 28.6136 177.0672 32 D 4.7886 7.7805 117.7028 54.3886 40.8304 177.2856 33 K 4.5881 7.6150 114.5087 57.7703 35.5914 175.9616 34 E 4.5525 8.0676 116.4550 55.4611 31.9913 174.9627 35 G 4.2583 8.2286 108.0384 45.5366 0.0000 174.1775 36 I 3.5539 7.5534 119.4135 60.6785 37.5411 174.0017 37 P 4.4585 0.0000 0.0000 61.7250 31.8215 176.0135 38 P 4.3400 0.0000 0.0000 65.2574 31.6086 178.3711 39 D 4.3219 8.1526 117.1091 56.7960 41.4574 176.7672 40 Q 4.3504 7.9415 116.3999 56.7089 29.6237 175.6826 41 Q 4.4982 7.5049 117.4085 56.2665 30.2101 176.1480 42 R 4.7788 8.2176 120.1743 55.0539 33.1113 172.5659 43 L 4.4286 8.3568 122.8152 54.9799 42.8338 176.1265 44 I 4.6277 9.4706 126.5018 60.1601 39.8318 175.5889 45 F 5.0968 9.1649 126.9773 57.0451 41.7921 174.2185 46 A 3.5029 9.3018 132.5291 53.1659 15.8997 176.3392 47 G 4.3597 8.2696 114.6795 45.7541 0.0000 174.4608 48 K 3.9820 7.3484 119.4850 56.4697 32.5909 175.6926 49 Q 4.6646 8.5026 124.1884 55.1112 30.5941 174.6020 50 L 4.4981 7.9303 126.0993 52.9842 42.5621 176.3852 51 E 4.2398 9.0212 123.1405 56.1060 30.4091 176.9021 52 D 4.5260 9.1406 122.2438 57.9722 41.0230 180.2723 53 G 4.1379 8.0194 104.1714 45.6940 0.0000 173.0114 54 R 4.6115 8.3244 119.4934 53.7557 33.1957 175.6845 55 T 4.3439 8.4067 112.9117 61.2027 69.8822 175.2387 56 L 4.0518 8.9165 124.3764 58.4426 41.5463 179.7263 57 S 4.1077 7.9194 112.2742 61.9712 61.9980 176.2444 58 D 4.2707 8.1247 119.7805 56.5889 40.5052 177.2775 59 Y 4.4731 8.2162 115.2776 56.3863 39.3739 174.9898 60 N 4.1835 8.1210 116.9434 54.2709 36.5513 174.4712 61 I 4.2355 7.4836 116.9838 60.0639 38.9643 176.3504 62 Q 4.5793 8.0063 123.8540 53.2665 31.1091 174.9171 63 K 3.7891 8.3869 117.7449 58.7974 32.6199 176.1608 64 E 3.6807 8.2442 119.0840 57.4496 27.8475 174.8129 65 S 4.6577 7.4570 115.8169 58.8143 64.7119 173.0321 66 T 5.1680 8.5478 116.4361 62.2254 71.2049 173.9846 67 L 5.0741 9.1667 126.1477 53.3480 45.3948 175.0034 68 H 5.4466 9.3104 116.8124 54.0254 32.7038 172.6348 69 L 5.1230 8.8560 123.3138 53.3502 43.9544 175.9239 70 V 4.3779 8.1366 125.3924 60.8019 33.9434 175.0221 71 L 4.3795 8.6663 128.4768 54.7127 42.1677 177.5875 72 R 4.0252 8.4398 122.7027 56.1119 30.8507 176.9886 73 L 4.1372 8.4982 121.4995 55.2664 41.6126 177.0859 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 M 8.15 4.60 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 2 Q 8.10 4.64 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 3 I 9.36 3.82 1.63 0.00 0.00 0.72 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 1.08 0.72 0.00 0.00 4 F 8.23 5.39 0.00 2.98 2.89 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 5 V 8.48 4.80 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 0.94 0.00 0.00 0.89 0.00 0.00 6 K 8.87 4.87 0.00 1.88 1.70 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.44 7.81 7 T 8.98 4.73 4.26 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 1.23 0.00 0.00 8 L 8.40 4.57 0.00 1.67 1.73 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.77 4.30 4.24 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 0.00 0.00 0.00 1.22 0.00 0.00 10 G 8.21 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 11 K 7.93 4.30 0.00 1.87 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.57 7.81 12 T 8.42 4.90 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 1.23 0.00 0.00 13 I 8.43 4.44 1.89 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 1.62 1.51 0.92 0.00 0.00 14 T 8.66 4.57 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 1.57 0.00 0.00 15 L 8.99 4.79 0.00 1.44 1.52 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.78 0.00 1.92 1.92 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 2.19 2.25 0.00 17 V 8.95 4.56 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.83 0.00 0.00 18 E 9.17 4.79 0.00 2.04 1.77 0.00 0.00 0.00 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 2.37 0.00 19 P 0.00 4.29 0.00 2.16 2.09 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 20 S 7.91 4.40 0.00 3.97 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 21 D 8.00 4.47 0.00 2.99 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 22 T 8.09 4.73 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 7.87 3.70 2.14 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.31 0.98 0.00 0.00 24 E 8.09 4.01 0.00 2.12 2.22 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 2.28 2.34 0.00 25 N 7.71 4.43 0.00 2.86 2.89 0.00 0.00 6.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.68 3.58 2.21 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 0.97 0.00 0.00 0.91 0.00 0.00 27 K 8.41 4.37 0.00 2.02 1.86 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.50 7.81 28 A 7.73 3.98 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 29 K 7.99 4.01 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.45 7.81 30 I 7.57 3.66 2.12 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.93 0.00 0.00 31 Q 8.13 4.08 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 32 D 7.78 4.79 0.00 2.85 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 33 K 7.61 4.59 0.00 1.84 1.83 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.49 7.81 34 E 8.07 4.55 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 35 G 8.23 4.26 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 0.00 36 I 7.55 3.55 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 1.42 0.72 0.91 0.00 0.00 37 P 0.00 4.46 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.34 0.00 2.17 2.09 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 39 D 8.15 4.32 0.00 2.63 2.70 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 40 Q 7.94 4.35 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 41 Q 7.50 4.50 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 42 R 8.22 4.78 0.00 1.96 1.81 0.00 3.27 0.00 0.00 3.34 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 43 L 8.36 4.43 0.00 1.53 1.54 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.47 4.63 1.95 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 1.26 0.89 1.00 0.00 0.00 45 F 9.16 5.10 0.00 2.94 2.88 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 46 A 9.30 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.27 4.36 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 0.00 48 K 7.35 3.98 0.00 2.01 1.86 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.70 7.81 49 Q 8.50 4.66 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 50 L 7.93 4.50 0.00 1.25 0.85 0.50 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.02 4.24 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 52 D 9.14 4.53 0.00 2.78 2.93 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 53 G 8.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.32 4.61 0.00 2.18 1.68 0.00 3.19 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 55 T 8.41 4.34 4.51 0.00 0.00 0.00 0.00 0.00 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 56 L 8.92 4.05 0.00 1.73 1.78 0.94 0.64 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 57 S 7.92 4.11 0.00 3.98 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 58 D 8.12 4.27 0.00 2.39 2.36 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 59 Y 8.22 4.47 0.00 2.94 3.08 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 60 N 8.12 4.18 0.00 2.93 2.92 0.00 0.00 6.86 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.48 4.24 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.62 0.60 0.00 0.00 62 Q 8.01 4.58 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 63 K 8.39 3.79 0.00 1.83 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 8.24 3.68 0.00 2.18 2.32 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 2.54 2.32 0.00 65 S 7.46 4.66 0.00 3.64 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.55 5.17 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 1.25 0.00 0.00 67 L 9.17 5.07 0.00 1.48 1.70 0.72 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.31 5.45 0.00 3.03 3.18 0.00 5.57 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 69 L 8.86 5.12 0.00 1.61 1.55 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.14 4.38 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 0.84 0.00 0.00 0.95 0.00 0.00 71 L 8.67 4.38 0.00 1.57 1.60 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.44 4.03 0.00 1.71 1.88 0.00 3.23 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 73 L 8.50 4.14 0.00 1.61 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00