NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2494 8.2493 123.5687 52.2993 20.2125 175.9318 2 D 4.6468 8.3716 117.0034 52.8566 41.2018 171.5670 3 V 4.7402 7.8035 117.3864 59.4685 34.3773 176.4970 4 V 4.2262 7.7835 122.3447 61.1202 35.2881 173.7727 5 T 5.1723 7.8476 116.9539 60.4062 70.7619 173.1940 6 Y 4.3002 9.0037 126.2139 57.2733 38.2619 174.9728 7 E 4.7774 8.6301 125.4243 55.8260 27.2542 176.0658 8 N 4.8206 8.0694 124.5321 52.0296 39.7465 176.4552 9 K 4.0819 8.6210 119.5507 59.6541 32.5198 177.8536 10 K 3.9397 8.3841 116.8201 57.6201 31.9841 176.9576 11 G 4.7957 7.2953 112.4029 45.8930 0.0000 171.8569 12 N 4.7113 8.4064 123.7723 53.7853 40.2052 174.4518 13 V 4.7658 8.7375 123.9357 60.9894 32.2421 175.1192 14 T 4.6934 8.5127 125.1978 63.5854 69.5937 174.5554 15 F 4.8025 9.2468 120.6140 54.5272 41.0278 174.6354 16 D 5.2099 8.9354 125.8272 53.5652 37.0441 175.6608 17 H 4.1262 8.2453 122.6768 59.4603 30.1789 175.3160 18 K 3.7594 8.5423 120.9371 59.6946 31.9985 178.2720 19 A 4.2199 7.9598 121.3076 55.1032 18.2447 178.9122 20 H 4.0343 8.7009 114.4342 59.0172 28.7062 177.7937 21 A 4.0026 8.2712 122.8310 55.2652 18.0167 179.5969 22 E 3.9244 8.6366 116.4655 59.2983 29.5808 179.2391 23 K 3.9433 8.2345 118.9640 59.0112 32.2509 178.5321 24 L 4.4745 8.8234 117.3284 56.4110 42.4019 177.8270 25 G 4.3589 7.6691 112.6708 44.2378 0.0000 172.1996 26 C 5.0594 8.2243 128.0876 60.3415 35.7285 176.4002 27 D 4.4602 7.6749 119.0577 56.5738 39.4507 178.7084 28 A 3.8976 7.9399 121.8744 54.4356 18.4758 177.7923 29 C 4.6142 7.7337 109.8358 60.2436 30.6458 173.7513 30 H 4.8285 8.4322 117.0330 53.8133 28.2055 173.8375 31 E 4.0800 8.4065 123.0874 59.1473 29.7744 179.2242 32 G 3.7105 7.7151 108.0038 47.1955 0.0000 172.9754 33 T 4.4373 7.1173 113.3216 59.4023 70.1953 171.3200 34 P 4.4247 0.0000 0.0000 62.8901 32.6423 177.1374 35 A 4.5081 8.3955 123.4174 51.4953 20.0019 176.2130 36 K 3.9821 7.9387 123.6394 55.9875 32.0614 175.7979 37 I 4.1033 8.0522 115.1736 63.3868 40.0950 174.5653 38 A 3.5595 8.1028 120.6567 52.6455 14.3864 176.7626 39 I 3.8343 8.5122 120.5122 59.8115 37.2235 176.7661 40 D 4.4748 8.0285 126.7794 51.1504 42.6047 176.7301 41 K 3.6715 8.2764 118.1985 60.8942 31.9630 178.1951 42 K 3.8211 8.2957 119.6880 58.8312 31.9974 179.0145 43 S 4.0219 9.1418 114.7874 61.8781 62.9745 176.4168 44 A 3.8107 8.2239 123.2687 56.2421 17.8470 179.5437 45 H 4.3498 8.4354 113.3276 58.9075 28.8685 176.9617 46 K 4.2652 8.1637 121.8608 56.9674 33.3899 177.0179 47 D 4.7401 8.2731 120.0536 52.5179 43.0474 174.1036 48 A 4.5623 7.2971 122.9429 53.3724 24.2180 178.6876 49 C 4.0159 8.2864 113.7272 61.5708 29.3746 176.5291 50 K 4.4450 8.1406 120.1804 57.2526 32.2168 177.3757 51 T 4.4051 8.2716 111.2753 63.1624 69.6706 174.9771 52 C 3.9926 7.7145 118.1909 63.6099 28.1649 176.2313 53 H 4.1704 8.2270 116.5832 58.3279 27.9875 177.5910 54 K 3.8697 7.4965 120.1087 59.8645 32.1221 178.5690 55 S 4.4436 7.4761 110.9657 59.2922 63.0803 174.6755 56 N 4.6918 8.2062 119.0422 54.4570 39.5110 174.4080 57 N 4.9590 7.7819 112.5776 52.4630 42.5343 174.2844 58 G 4.0271 8.1421 110.0345 43.0909 0.0000 170.9325 59 P 4.3125 0.0000 0.0000 63.3582 31.8116 177.4467 60 T 4.1406 8.4743 114.1598 63.7014 70.4071 175.6164 61 K 4.0058 8.1066 121.8621 56.4288 31.6066 178.3148 62 C 4.7420 8.3850 126.1324 60.6009 31.5611 172.6467 63 G 4.3769 9.1205 109.5865 46.8622 0.0000 175.7587 64 G 3.9040 7.8834 107.3937 47.9593 0.0000 172.6945 65 C 4.7304 7.8061 114.3793 61.2912 30.9208 174.2679 66 H 4.5287 8.1970 116.9161 55.9247 28.5833 176.4956 67 I 4.1954 8.4715 127.7874 59.1805 34.5690 176.5537 68 K 4.0375 7.7079 125.9010 56.8687 31.8919 174.8145 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 A 8.25 4.25 1.25 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 0.00 0.00 0.00 2 D 8.37 4.65 0.00 2.80 2.91 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 3 V 7.80 4.74 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 0.87 0.00 0.00 4 V 7.78 4.23 0.67 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 0.56 0.00 0.00 0.56 0.00 0.00 5 T 7.85 5.17 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 6 Y 9.00 4.30 0.00 3.07 2.99 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 7 E 8.63 4.78 0.00 2.01 2.03 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 2.29 2.35 0.00 8 N 8.07 4.82 0.00 2.89 2.97 0.00 0.00 6.69 7.49 0.00 0.00 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 8.62 4.08 0.00 1.73 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.53 7.81 10 K 8.38 3.94 0.00 1.88 1.78 0.00 1.89 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.23 7.81 11 G 7.30 4.80 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 0.00 0.00 0.00 12 N 8.41 4.71 0.00 2.74 2.82 0.00 0.00 6.90 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.74 4.77 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 1.32 0.00 0.00 0.80 0.00 0.00 14 T 8.51 4.69 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 1.22 0.00 0.00 15 F 9.25 4.80 0.00 2.98 3.04 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 0.00 0.00 0.00 16 D 8.94 5.21 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.25 4.13 0.00 3.05 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.54 3.76 0.00 1.83 1.95 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.49 7.81 19 A 7.96 4.22 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 20 H 8.70 4.03 0.00 3.45 3.44 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.27 4.00 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 22 E 8.64 3.92 0.00 2.17 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 2.61 2.35 0.00 23 K 8.23 3.94 0.00 1.75 1.90 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.60 7.81 24 L 8.82 4.47 0.00 1.70 1.73 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.67 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 26 C 8.22 5.06 0.00 2.91 2.90 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 27 D 7.67 4.46 0.00 2.88 2.92 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 28 A 7.94 3.90 1.34 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 0.00 0.00 0.00 29 C 7.73 4.61 0.00 2.87 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 30 H 8.43 4.83 0.00 3.06 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.41 4.08 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 2.32 2.32 0.00 32 G 7.72 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 0.00 0.00 0.00 33 T 7.12 4.44 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 1.22 0.00 0.00 34 P 0.00 4.42 0.00 2.08 1.50 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 35 A 8.40 4.51 1.24 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 0.00 0.00 0.00 36 K 7.94 3.98 0.00 2.03 1.91 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.47 7.81 37 I 8.05 4.10 1.89 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.89 0.00 0.00 38 A 8.10 3.56 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.83 1.58 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.64 0.00 0.00 40 D 8.03 4.47 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.28 3.67 0.00 1.86 2.01 0.00 1.46 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.50 7.81 42 K 8.30 3.82 0.00 2.00 1.82 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.54 7.81 43 S 9.14 4.02 0.00 3.69 3.84 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 0.00 0.00 0.00 0.00 44 A 8.22 3.81 1.23 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 0.00 0.00 0.00 45 H 8.44 4.35 0.00 3.20 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.16 4.27 0.00 1.82 1.74 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.60 7.81 47 D 8.27 4.74 0.00 2.64 2.51 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 0.00 48 A 7.30 4.56 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.29 4.02 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.14 4.45 0.00 1.56 1.90 0.00 1.62 0.00 0.00 1.42 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.30 7.81 51 T 8.27 4.41 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 1.29 0.00 0.00 52 C 7.71 3.99 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.23 4.17 0.00 3.19 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.50 3.87 0.00 1.80 1.92 0.00 1.68 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 55 S 7.48 4.44 0.00 3.94 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 56 N 8.21 4.69 0.00 2.81 2.85 0.00 0.00 6.93 7.80 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 57 N 7.78 4.96 0.00 2.57 2.59 0.00 0.00 6.70 7.96 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 58 G 8.14 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 59 P 0.00 4.31 0.00 2.20 2.12 0.00 3.87 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 1.97 0.00 60 T 8.47 4.14 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 1.28 0.00 0.00 61 K 8.11 4.01 0.00 1.77 1.64 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.45 7.81 62 C 8.38 4.74 0.00 2.91 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 G 9.12 4.38 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 0.00 64 G 7.88 3.90 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 0.00 65 C 7.81 4.73 0.00 2.81 2.92 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 66 H 8.20 4.53 0.00 3.08 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.47 4.20 1.91 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 1.42 0.77 0.94 0.00 0.00 68 K 7.71 4.04 0.00 1.67 1.64 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.46 7.81