NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4478 8.3044 118.1942 54.7139 32.6012 174.9842 2 V 3.4258 8.5216 120.5030 65.0003 31.5782 174.3821 3 I 4.4281 7.8350 121.3586 59.3924 39.6812 174.1928 4 A 4.5504 8.7975 129.0538 50.5982 20.6057 178.2753 5 T 3.8777 8.4947 115.9196 66.9719 68.4454 176.5355 6 D 4.6937 7.9914 117.9477 55.1025 39.6324 176.5086 7 D 4.5927 8.0092 119.2698 55.5586 41.6217 176.8506 8 L 4.7209 8.0053 119.1594 55.6237 43.8940 176.2475 9 E 5.2807 7.9228 113.8791 55.2068 32.7771 174.7014 10 T 4.7819 9.1226 110.2334 59.7749 72.8708 173.1907 11 T 4.2496 8.6918 118.8207 64.4965 69.3161 173.4586 12 C 4.3488 9.0469 127.8822 59.0511 32.0892 172.6494 13 P 4.4657 0.0000 0.0000 64.5607 31.7867 177.0075 14 N 4.4499 8.2590 117.8004 55.9465 39.2129 175.0001 15 C 4.5819 7.9342 109.8823 57.0758 30.5614 173.5908 16 N 4.3848 9.0842 116.1229 54.5170 36.0730 175.3677 17 G 4.0346 8.4696 106.8693 45.2195 0.0000 175.5920 18 S 4.0959 7.6006 113.7491 59.3832 63.3167 175.8338 19 G 3.9523 8.3933 107.8301 45.2849 0.0000 172.6321 20 R 4.9361 7.5723 117.4931 54.4374 33.2059 175.8789 21 E 4.6070 9.0246 120.6326 53.4179 29.6078 173.6622 22 E 4.1576 8.1612 119.0949 56.1685 30.4029 175.4242 23 P 4.7176 0.0000 0.0000 62.7317 31.8712 175.1211 24 E 4.7663 7.8894 118.4053 53.7864 32.4415 173.7278 25 P 4.6336 0.0000 0.0000 62.4963 32.2583 175.9501 26 C 4.1420 8.8139 122.3193 59.1152 31.7414 172.8826 27 P 4.4048 0.0000 0.0000 64.8352 31.4162 177.3673 28 K 4.1318 8.0322 119.8606 58.2378 32.5469 176.6335 29 C 4.7177 7.7794 110.4818 56.4998 30.5008 173.3761 30 L 3.3975 8.8691 120.5828 56.3460 40.4833 175.3369 31 G 4.0173 8.4770 104.0967 45.1030 0.0000 175.3446 32 K 3.9935 8.0583 119.6073 57.3357 32.4304 179.0447 33 G 3.9821 8.5988 105.9034 45.3387 0.0000 172.7756 34 V 5.1771 7.1871 111.2708 59.4394 35.9060 174.7821 35 I 4.7002 8.7097 115.9273 58.9289 40.9596 174.7966 36 L 4.7702 8.4556 123.0060 54.9686 42.7841 176.9065 37 T 4.3965 8.3993 112.6033 60.4841 71.1087 175.5917 38 A 3.9947 8.5695 122.3327 55.3485 18.2531 179.5032 39 Q 3.9827 8.0899 117.8042 59.1740 29.2321 178.4826 40 G 3.5772 8.0070 106.4516 47.6938 0.0000 175.5779 41 S 4.1191 8.4415 116.1290 61.5366 62.3372 176.2517 42 T 3.9020 8.1335 118.5677 66.7567 68.1585 176.6210 43 L 4.0822 7.9558 120.6677 57.6735 41.7308 179.2198 44 L 3.9831 8.0915 120.3284 58.4563 42.1794 178.4436 45 H 4.1080 8.6547 118.5536 59.1310 29.6483 176.9298 46 F 4.2529 8.1362 122.5302 61.4667 39.2755 176.9307 47 I 3.4956 8.0429 119.2938 64.4567 36.9958 178.2821 48 K 3.7914 8.1060 119.0477 59.7138 31.6964 179.2666 49 K 3.7859 7.5744 118.1667 59.3391 32.1850 177.9659 50 H 4.4088 7.5511 114.6012 56.7846 29.0804 176.5440 51 I 4.1637 7.5963 119.8439 60.4606 38.2587 176.1554 52 H 4.5741 8.5498 121.9602 55.7519 27.8232 174.6508 53 E 4.2577 7.8072 119.1604 56.3581 29.5991 175.2679 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 8.30 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 2 V 8.52 3.43 2.07 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 0.78 0.00 0.00 0.92 0.00 0.00 3 I 7.83 4.43 1.87 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 1.34 0.78 0.91 0.00 0.00 4 A 8.80 4.55 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 5 T 8.49 3.88 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 1.21 0.00 0.00 6 D 7.99 4.69 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.59 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.01 4.72 0.00 1.73 1.69 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.92 5.28 0.00 2.01 1.87 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 2.35 2.31 0.00 10 T 9.12 4.78 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 1.21 0.00 0.00 11 T 8.69 4.25 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 1.23 0.00 0.00 12 C 9.05 4.35 0.00 2.99 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 13 P 0.00 4.47 0.00 2.22 2.16 0.00 3.81 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 1.98 1.95 0.00 14 N 8.26 4.45 0.00 2.69 2.88 0.00 0.00 6.87 7.65 0.00 0.00 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 C 7.93 4.58 0.00 3.18 3.18 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 16 N 9.08 4.38 0.00 2.92 2.94 0.00 0.00 7.18 7.50 0.00 0.00 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 G 8.47 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 18 S 7.60 4.10 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.57 4.94 0.00 1.82 1.82 0.00 3.27 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 21 E 9.02 4.61 0.00 1.87 1.75 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 2.19 2.25 0.00 22 E 8.16 4.16 0.00 1.99 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 2.33 2.29 0.00 23 P 0.00 4.72 0.00 2.17 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 24 E 7.89 4.77 0.00 1.99 1.86 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 2.21 2.34 0.00 25 P 0.00 4.63 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 26 C 8.81 4.14 0.00 3.02 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 27 P 0.00 4.40 0.00 2.22 2.16 0.00 3.90 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 1.98 1.95 0.00 28 K 8.03 4.13 0.00 1.74 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.42 7.81 29 C 7.78 4.72 0.00 3.25 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 30 L 8.87 3.40 0.00 1.80 1.74 0.92 0.97 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 31 G 8.48 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.06 3.99 0.00 1.92 1.87 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 33 G 8.60 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.19 5.18 2.14 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 0.74 0.00 0.00 0.94 0.00 0.00 35 I 8.71 4.70 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 1.36 1.05 0.91 0.00 0.00 36 L 8.46 4.77 0.00 1.57 1.64 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.40 4.40 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 1.21 0.00 0.00 38 A 8.57 3.99 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 39 Q 8.09 3.98 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 40 G 8.01 3.58 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 0.00 0.00 0.00 41 S 8.44 4.12 0.00 3.88 4.09 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 0.00 0.00 0.00 0.00 42 T 8.13 3.90 4.43 0.00 0.00 0.00 0.00 0.00 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 43 L 7.96 4.08 0.00 1.75 1.77 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.09 3.98 0.00 1.90 1.74 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.65 4.11 0.00 3.32 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.14 4.25 0.00 3.14 3.25 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 47 I 8.04 3.50 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.96 0.90 0.00 0.00 48 K 8.11 3.79 0.00 1.80 1.80 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 49 K 7.57 3.79 0.00 1.66 1.85 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.12 1.29 7.81 50 H 7.55 4.41 0.00 2.69 3.14 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.60 4.16 1.92 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 1.49 0.49 0.94 0.00 0.00 52 H 8.55 4.57 0.00 3.18 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.81 4.26 0.00 2.01 1.86 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 2.24 2.25 0.00