NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3107 8.2493 123.5815 51.6164 19.8421 175.9200 2 K 3.7480 8.6665 113.7836 56.0959 32.4552 175.3032 3 T 4.4920 9.2325 112.1711 62.2990 70.1451 171.8129 4 I 3.6288 7.7604 130.7592 60.3517 37.1719 172.4563 5 K 4.7793 8.9199 125.1751 54.8205 34.1197 175.6567 6 I 5.0186 8.5676 125.6372 59.1744 40.5990 174.8135 7 T 4.8619 8.0022 119.1985 61.9417 72.6345 174.9950 8 Q 4.0047 8.7400 123.8283 57.0753 29.0218 175.5110 9 T 3.5375 7.0912 115.1333 63.3646 67.6192 172.6735 10 R 4.5830 7.2758 118.7413 54.0833 33.1242 175.7794 11 S 4.3466 8.3232 113.1375 58.2522 63.5541 173.4033 12 A 4.8191 8.1584 124.4376 51.0798 18.4465 175.6330 13 I 4.1311 7.5055 122.5305 62.6678 38.6363 178.3045 14 G 3.9141 7.8493 106.2768 45.6462 0.0000 174.0626 15 R 4.1765 7.7996 118.7695 55.8727 30.7397 176.4600 16 L 4.1589 8.3743 120.0196 54.4023 42.0704 176.7962 17 P 4.2608 0.0000 0.0000 65.6884 31.4913 177.7094 18 K 4.9632 7.7309 117.9606 57.3610 32.2549 176.3434 19 H 4.9713 7.9614 113.2880 55.5977 31.2848 176.3753 20 K 3.8919 8.1089 117.0700 58.1014 31.7940 178.8454 21 A 4.0977 7.6100 122.0083 54.9260 18.9548 179.5629 22 T 3.8122 7.7394 107.7970 64.9348 68.8323 176.1027 23 L 3.9972 8.8567 123.1575 57.4193 41.6526 179.1434 24 L 4.0221 7.6746 119.8172 58.3998 41.7906 179.1595 25 G 3.8361 7.9545 103.9467 47.5594 0.0000 174.6035 26 L 4.4078 7.8366 118.8783 53.4699 43.5710 176.0924 27 G 3.7005 8.1049 107.6120 46.1444 0.0000 173.4979 28 L 4.7828 7.5271 116.5813 53.1064 44.4749 176.2935 29 R 3.8118 8.7597 125.5743 57.8306 29.4654 178.4752 30 R 4.1053 8.4777 120.0416 56.6934 31.7109 177.4012 31 I 3.9930 8.3040 110.0795 61.7617 37.2025 177.8970 32 G 4.2291 7.9980 108.0375 46.2813 0.0000 174.3555 33 H 4.0305 8.5009 120.2382 59.0946 29.7291 171.1971 34 T 4.1272 8.3589 123.1523 62.8784 68.0523 171.5837 35 V 4.4944 7.6967 124.1955 59.9705 35.3490 174.2541 36 E 4.7751 8.4597 122.6880 55.9410 31.5251 175.0214 37 R 4.3956 7.7168 119.1026 56.0500 35.2246 173.0179 38 E 4.7377 8.7980 121.4305 56.2486 28.1065 176.6491 39 D 4.4760 8.3970 125.5475 56.1279 43.4035 175.3222 40 T 3.9596 7.7973 115.6222 63.1207 68.9217 173.2811 41 P 4.2437 0.0000 0.0000 65.7087 31.1491 178.5227 42 A 3.9884 7.9498 119.4448 55.1143 18.0671 179.0507 43 I 3.9317 7.7920 109.4957 62.3593 36.6518 177.0828 44 R 4.3375 7.8497 120.5808 57.4081 30.2602 177.8651 45 G 3.9129 8.0081 105.6267 47.5734 0.0000 175.7382 46 M 4.0297 7.9442 120.5447 58.5146 31.9493 178.4587 47 I 3.6435 7.1679 120.0771 64.7743 37.0160 177.9323 48 N 4.3193 7.4322 116.8096 56.5049 38.8995 176.5080 49 A 4.2486 8.0073 121.4661 54.2987 19.1034 177.7662 50 V 4.2020 7.7409 110.7741 60.4546 33.0099 177.9327 51 S 4.3369 8.5323 116.2152 60.8035 63.0830 176.1647 52 F 4.4418 8.3390 113.5803 58.5123 37.5879 175.1714 53 M 4.5068 7.5822 121.2817 54.8861 33.2334 175.3051 54 V 5.1847 7.5472 111.0021 60.3172 36.7398 174.2236 55 K 4.4211 8.2690 122.2349 55.0413 35.0777 174.9548 56 V 4.1743 8.4825 128.0654 62.3605 32.8327 175.0068 57 E 4.5692 9.0689 127.4381 54.3980 31.9057 176.2355 58 E 4.1222 8.6820 123.2777 56.5514 29.6437 177.1714 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 4.31 1.28 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 2 K 8.67 3.75 0.00 1.95 1.86 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.61 7.81 3 T 9.23 4.49 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 1.26 0.00 0.00 4 I 7.76 3.63 1.86 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 1.66 0.73 0.90 0.00 0.00 5 K 8.92 4.78 0.00 1.64 1.69 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 6 I 8.57 5.02 1.82 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 1.21 1.51 0.86 0.00 0.00 7 T 8.00 4.86 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 8 Q 8.74 4.00 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.14 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 9 T 7.09 3.54 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 1.21 0.00 0.00 10 R 7.28 4.58 0.00 1.78 1.88 0.00 3.45 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 11 S 8.32 4.35 0.00 3.84 3.77 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 12 A 8.16 4.82 1.22 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 0.00 0.00 0.00 13 I 7.51 4.13 1.89 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 1.24 0.65 0.92 0.00 0.00 14 G 7.85 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 15 R 7.80 4.18 0.00 1.90 2.11 0.00 3.39 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.09 0.00 16 L 8.37 4.16 0.00 1.42 1.52 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.26 0.00 2.17 2.10 0.00 3.57 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 2.11 2.08 0.00 18 K 7.73 4.96 0.00 1.72 1.79 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 19 H 7.96 4.97 0.00 3.51 3.27 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 20 K 8.11 3.89 0.00 1.82 1.87 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.72 7.81 21 A 7.61 4.10 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 22 T 7.74 3.81 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 1.31 0.00 0.00 23 L 8.86 4.00 0.00 1.65 1.76 0.84 0.41 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 24 L 7.67 4.02 0.00 1.84 1.84 0.92 1.51 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 25 G 7.95 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 0.00 0.00 0.00 26 L 7.84 4.41 0.00 1.75 1.69 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.10 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 28 L 7.53 4.78 0.00 1.60 1.80 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.76 3.81 0.00 1.59 1.66 0.00 3.25 0.00 0.00 3.13 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 30 R 8.48 4.11 0.00 1.89 1.85 0.00 3.13 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 31 I 8.30 3.99 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 1.35 0.82 0.91 0.00 0.00 32 G 8.00 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 0.00 0.00 0.00 0.00 33 H 8.50 4.03 0.00 3.20 3.34 0.00 6.04 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 34 T 8.36 4.13 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 35 V 7.70 4.49 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 0.76 0.00 0.00 0.86 0.00 0.00 36 E 8.46 4.78 0.00 1.98 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 2.23 2.28 0.00 37 R 7.72 4.40 0.00 1.91 1.72 0.00 3.15 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 38 E 8.80 4.74 0.00 1.98 1.45 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 2.25 2.27 0.00 39 D 8.40 4.48 0.00 2.74 2.56 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 0.00 0.00 0.00 0.00 40 T 7.80 3.96 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 41 P 0.00 4.24 0.00 2.15 2.14 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 42 A 7.95 3.99 1.31 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 0.00 0.00 0.00 43 I 7.79 3.93 1.86 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 1.57 0.79 0.95 0.00 0.00 44 R 7.85 4.34 0.00 1.95 2.03 0.00 3.12 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 45 G 8.01 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 46 M 7.94 4.03 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.64 0.00 47 I 7.17 3.64 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.88 0.88 0.00 0.00 48 N 7.43 4.32 0.00 2.89 3.01 0.00 0.00 7.19 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 49 A 8.01 4.25 1.40 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 0.00 0.00 50 V 7.74 4.20 1.60 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 0.49 0.00 0.00 0.86 0.00 0.00 51 S 8.53 4.34 0.00 4.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.44 0.00 3.21 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.58 4.51 0.00 1.57 1.34 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.22 0.00 54 V 7.55 5.18 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 0.67 0.00 0.00 0.97 0.00 0.00 55 K 8.27 4.42 0.00 1.75 1.58 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 56 V 8.48 4.17 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 0.91 0.00 0.00 0.91 0.00 0.00 57 E 9.07 4.57 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 58 E 8.68 4.12 0.00 1.93 1.85 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 2.31 2.35 0.00