NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4723 8.1633 118.3260 55.2715 33.4031 173.8051 2 Q 4.7602 8.2712 118.8502 53.0047 30.9817 173.2183 3 I 4.7782 9.0194 116.6211 59.0723 42.3179 173.5486 4 F 5.3792 9.0865 120.6967 55.6580 42.7352 174.5232 5 V 4.8993 9.1869 122.5756 61.1694 34.2161 174.2899 6 K 5.1290 8.9833 127.7589 55.2847 34.4884 176.1019 7 T 4.8464 8.7206 114.4389 59.8858 71.1786 175.7713 8 L 4.0851 8.6392 121.7085 57.4045 41.7112 178.3283 9 T 4.2086 7.9043 106.6982 61.5372 69.2752 175.3445 10 G 3.9081 8.2436 110.7694 45.2378 0.0000 173.1970 11 K 4.4469 8.0741 121.0754 55.5630 33.9492 175.5156 12 T 5.1252 8.4510 122.1567 61.8764 71.1615 173.3327 13 I 4.6128 9.1033 127.1833 59.8508 40.1703 174.5677 14 T 4.9152 8.5340 122.3868 61.9441 70.3179 173.9380 15 L 4.8020 8.5019 125.1268 52.8086 46.1176 174.9094 16 E 4.8461 8.6278 122.5839 54.9931 30.7059 175.2861 17 V 4.7533 8.9947 119.4556 59.9935 36.4589 174.2403 18 E 4.7709 9.6269 120.7043 53.9230 32.4785 176.1712 19 P 4.1836 0.0000 0.0000 65.3774 31.5744 178.1378 20 S 4.4784 7.8681 110.2069 58.5833 63.8832 174.1181 21 D 4.4933 8.1810 123.4155 54.5365 41.3801 175.9851 22 T 4.6981 8.1426 113.1773 61.0252 71.5346 176.0872 23 I 3.6879 8.3179 123.4656 64.5768 37.1452 178.4396 24 E 3.9452 8.1761 119.6830 59.3954 29.4589 178.5304 25 N 4.3558 8.1195 116.6049 56.1692 38.5828 177.5678 26 V 3.5652 7.8671 119.7165 65.9545 31.5530 178.1958 27 K 3.9450 8.4556 118.4138 59.4591 31.8776 179.1419 28 A 3.9810 8.0445 120.9904 55.0934 18.3802 179.8728 29 K 3.9599 8.0248 117.0760 59.6188 32.0601 179.6862 30 I 3.7312 7.7512 120.2162 64.2459 36.9027 178.1870 31 Q 4.0280 8.3351 120.7003 59.2894 28.6664 177.8627 32 D 4.3052 7.8952 117.8176 57.2959 41.3034 178.0423 33 K 4.1777 7.7519 117.5564 58.5124 32.3975 178.2266 34 E 4.6016 8.8731 116.2526 55.2580 30.9581 177.2663 35 G 3.8539 8.1982 106.8757 45.4547 0.0000 173.2262 36 I 4.0950 7.4401 120.5239 59.1979 37.6227 174.1254 37 P 4.3442 0.0000 0.0000 61.9603 32.0179 175.6504 38 P 4.2361 0.0000 0.0000 65.9391 31.3930 178.1239 39 D 4.4856 8.0662 115.9930 56.3695 41.1271 176.7320 40 Q 4.4546 8.3767 117.6393 55.6770 29.3240 174.5271 41 Q 5.1231 7.5702 117.1941 54.1393 31.1988 175.3275 42 R 4.6328 8.9451 121.7567 54.4072 33.7522 174.2467 43 L 5.1717 8.5338 123.6491 53.0990 44.2497 175.4212 44 I 5.0918 8.8360 124.2659 59.4777 40.9517 174.4163 45 F 4.9577 8.9774 127.6583 56.9687 42.8128 174.3850 46 A 3.4818 8.9932 128.8416 53.0758 15.9202 177.7190 47 G 3.9215 8.3534 106.3782 46.5958 0.0000 174.1666 48 K 4.5853 7.9326 119.8943 54.2126 34.4148 174.9962 49 Q 4.5517 8.5065 124.4973 55.8743 29.7171 175.0535 50 L 4.1458 8.6583 127.4049 54.1169 42.7151 176.3852 51 E 4.5621 8.5809 121.9484 55.3847 30.9209 177.5546 52 D 4.3701 8.9531 122.0833 56.7570 41.1461 177.5557 53 G 3.9342 8.0536 105.9076 45.3666 0.0000 173.2412 54 R 4.6181 7.7249 119.6738 54.4961 32.8162 175.0650 55 T 4.9848 8.1944 109.2883 59.7574 71.4091 175.7632 56 L 4.0465 8.4265 122.1079 58.0725 41.4851 180.1579 57 S 4.1637 8.1372 114.0805 61.5224 62.5727 176.2741 58 D 4.2800 7.7296 121.8592 56.5791 40.4489 177.2213 59 Y 4.5196 7.5196 114.8983 56.4178 38.4705 175.0629 60 N 4.1669 8.0491 115.8937 54.1384 36.9548 174.6621 61 I 3.6813 7.7113 117.9086 60.8982 38.0565 176.0532 62 Q 4.6179 8.2405 124.0574 53.0706 31.1954 175.0562 63 K 3.9409 8.3819 117.9919 58.9409 32.5163 176.3572 64 E 4.0621 8.9585 119.6613 57.5907 27.6109 174.8427 65 S 4.6514 7.8480 114.5173 58.8706 64.3677 173.2846 66 T 5.1832 8.7487 119.2296 62.0744 70.3462 173.8208 67 L 4.9885 9.4973 127.1561 53.5412 45.0226 174.9555 68 H 5.1247 9.1441 118.2750 54.0285 31.4703 173.0602 69 L 5.0675 8.6599 125.2049 53.3794 43.6924 175.6139 70 V 4.5614 8.9627 125.7849 61.0713 34.8078 173.8933 71 L 5.1846 8.5093 125.6931 52.9743 44.0243 175.5913 72 R 4.6598 8.5110 123.0840 54.4405 32.3478 174.8057 73 L 4.8012 8.3778 125.4752 52.8511 44.4215 176.8222 74 R 3.9720 8.8533 123.0108 58.8397 30.2841 177.2427 75 G 3.9711 7.8332 105.4687 43.9483 0.0000 173.6874 76 G 3.7305 8.3551 107.0895 46.4657 0.0000 172.6234 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 8.16 4.47 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 2 Q 8.27 4.76 0.00 1.91 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 3 I 9.02 4.78 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.80 0.00 0.00 4 F 9.09 5.38 0.00 2.99 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 5 V 9.19 4.90 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 1.09 0.00 0.00 0.93 0.00 0.00 6 K 8.98 5.13 0.00 1.69 1.70 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.72 4.85 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 1.27 0.00 0.00 8 L 8.64 4.09 0.00 1.66 1.79 0.95 0.86 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 9 T 7.90 4.21 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 8.24 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 11 K 8.07 4.45 0.00 1.88 1.68 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 T 8.45 5.13 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 1.27 0.00 0.00 13 I 9.10 4.61 1.90 0.00 0.00 0.87 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 0.83 0.92 0.00 0.00 14 T 8.53 4.92 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 1.03 0.00 0.00 15 L 8.50 4.80 0.00 1.45 1.44 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.85 0.00 1.91 1.80 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 2.17 2.27 0.00 17 V 8.99 4.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.63 4.77 0.00 1.78 1.78 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 2.18 2.37 0.00 19 P 0.00 4.18 0.00 2.15 2.08 0.00 3.56 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 2.06 0.00 20 S 7.87 4.48 0.00 3.96 3.96 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 0.00 0.00 0.00 21 D 8.18 4.49 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.14 4.70 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 1.21 0.00 0.00 23 I 8.32 3.69 2.04 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 1.72 1.07 0.90 0.00 0.00 24 E 8.18 3.95 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 25 N 8.12 4.36 0.00 3.06 2.84 0.00 0.00 6.63 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.87 3.57 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 1.00 0.00 0.00 0.96 0.00 0.00 27 K 8.46 3.95 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 28 A 8.04 3.98 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 29 K 8.02 3.96 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.75 3.73 2.04 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 1.40 0.94 0.94 0.00 0.00 31 Q 8.34 4.03 0.00 2.10 2.28 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 2.36 2.37 0.00 32 D 7.90 4.31 0.00 2.72 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 33 K 7.75 4.18 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 34 E 8.87 4.60 0.00 1.97 1.97 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 2.25 2.43 0.00 35 G 8.20 3.85 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 0.00 0.00 0.00 36 I 7.44 4.09 1.87 0.00 0.00 0.87 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 0.76 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.24 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.07 4.49 0.00 2.67 2.73 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 40 Q 8.38 4.45 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 41 Q 7.57 5.12 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 42 R 8.95 4.63 0.00 1.71 1.79 0.00 3.09 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.53 5.17 0.00 1.55 1.54 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.84 5.09 1.90 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 1.10 0.74 0.89 0.00 0.00 45 F 8.98 4.96 0.00 3.02 2.77 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 0.00 0.00 0.00 46 A 8.99 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.35 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 0.00 0.00 0.00 48 K 7.93 4.59 0.00 1.85 1.78 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.54 7.81 49 Q 8.51 4.55 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.66 4.15 0.00 1.38 1.25 0.73 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.58 4.56 0.00 2.07 1.91 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 2.34 2.38 0.00 52 D 8.95 4.37 0.00 2.66 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 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 0.00 0.00 0.00 54 R 7.72 4.62 0.00 2.02 1.87 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 55 T 8.19 4.98 4.48 0.00 0.00 0.00 0.00 0.00 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 56 L 8.43 4.05 0.00 1.86 1.70 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.16 0.00 4.04 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 58 D 7.73 4.28 0.00 2.57 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.52 0.00 3.04 2.96 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 0.00 0.00 0.00 60 N 8.05 4.17 0.00 2.92 2.92 0.00 0.00 6.98 7.06 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 61 I 7.71 3.68 1.66 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 -0.27 0.25 0.59 0.00 0.00 62 Q 8.24 4.62 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 63 K 8.38 3.94 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.52 7.81 64 E 8.96 4.06 0.00 2.25 2.33 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 2.47 2.36 0.00 65 S 7.85 4.65 0.00 3.80 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 5.18 4.32 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 1.23 0.00 0.00 67 L 9.50 4.99 0.00 1.61 1.61 0.95 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.14 5.12 0.00 3.22 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.66 5.07 0.00 1.63 1.67 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.96 4.56 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.51 5.18 0.00 1.55 1.54 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.51 4.66 0.00 1.80 1.77 0.00 3.20 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 73 L 8.38 4.80 0.00 1.63 1.53 0.92 0.97 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 74 R 8.85 3.97 0.00 1.80 1.99 0.00 3.36 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 75 G 7.83 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 76 G 8.36 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