NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4714 8.1633 118.3251 55.3403 33.6330 173.5065 2 Q 4.8536 8.2317 118.0794 52.5442 31.1664 173.3849 3 I 4.5068 8.7599 116.9799 58.9004 42.2245 173.6038 4 F 5.3794 8.8644 120.3025 55.6130 42.8369 174.7335 5 V 4.8364 9.1175 122.0255 61.0832 34.3629 173.8894 6 K 5.0856 9.1248 130.2577 55.0296 34.1948 176.2296 7 T 4.6901 8.8031 118.0434 60.4568 70.2059 175.4953 8 L 4.1692 8.3417 120.8536 56.6718 41.7904 178.0056 9 T 4.2756 7.9395 107.9391 61.2676 68.9861 175.5320 10 G 3.9133 8.2751 110.1937 45.2929 0.0000 173.8273 11 K 4.2272 7.8518 121.3236 56.4326 33.5882 175.6674 12 T 5.0360 8.4290 122.7851 61.9994 70.6290 173.5872 13 I 4.4220 9.0816 128.1044 60.3312 39.2336 174.8138 14 T 5.0055 8.5455 123.1755 62.1437 70.0911 174.0574 15 L 4.8021 8.6768 125.7483 52.8981 45.6282 175.1973 16 E 4.8749 8.6158 121.2698 55.1340 30.8199 175.6241 17 V 4.7153 8.7837 117.4574 59.9094 36.5099 174.2985 18 E 4.7321 9.0371 119.6358 53.9458 33.0436 175.9317 19 P 4.1518 0.0000 0.0000 65.7498 31.5275 178.2960 20 S 4.4182 7.9024 109.8418 58.9694 63.7530 174.1578 21 D 4.4374 8.0710 123.3303 54.6805 41.3322 176.2063 22 T 4.7387 8.1809 113.3918 61.0950 71.3692 175.9047 23 I 3.7085 8.4744 123.2222 64.6842 37.0504 178.6658 24 E 3.9512 8.1539 118.8375 59.4930 29.3466 178.8449 25 N 4.2920 8.2695 116.5879 56.3865 38.5728 177.6154 26 V 3.5482 7.8491 119.4442 65.9731 31.5547 178.1895 27 K 4.1907 8.5741 119.5440 58.8907 31.8441 179.1884 28 A 3.9843 8.1340 121.1364 55.0545 17.8482 179.8726 29 K 3.9745 8.0429 117.1238 59.5286 31.9807 179.7032 30 I 3.7634 7.9693 120.3540 64.3266 36.9322 178.0997 31 Q 4.0470 8.3873 120.7376 59.4477 28.6073 178.2059 32 D 4.3511 7.9756 118.9002 57.0340 40.8599 178.3346 33 K 4.2582 7.5881 116.6375 57.8965 32.6269 177.9689 34 E 4.6189 8.5225 116.0726 55.0998 31.2791 177.3002 35 G 3.9136 8.3688 107.0125 45.2503 0.0000 173.4852 36 I 4.0783 7.4028 120.9044 59.5169 37.8220 174.1274 37 P 4.4111 0.0000 0.0000 61.8412 32.0997 175.5829 38 P 4.2037 0.0000 0.0000 65.8381 31.4313 177.8214 39 D 4.5906 8.1140 115.3175 54.7501 39.7649 176.7175 40 Q 4.8442 8.2550 118.9471 55.1294 30.1082 174.6148 41 Q 4.9515 8.2264 119.4521 54.0802 31.8453 174.7125 42 R 4.7276 9.0605 122.1413 54.3354 33.6149 174.5799 43 L 5.2208 8.4767 122.6246 53.0189 44.6839 175.2743 44 I 5.0551 8.7193 124.0786 59.6578 40.6712 174.5594 45 F 4.9579 9.3499 127.2062 57.5978 43.2873 173.9774 46 A 3.3796 9.0436 128.7904 53.0604 15.8349 177.9031 47 G 3.9552 8.4123 107.7103 46.2295 0.0000 174.1410 48 K 4.5846 7.8363 119.5177 54.2276 34.6102 174.8967 49 Q 4.5589 8.4980 124.2512 55.7569 29.5791 175.2871 50 L 3.9785 8.8039 127.7559 54.4695 42.9054 176.2677 51 E 4.6014 9.2557 123.1579 54.8882 31.2032 175.9715 52 D 4.6725 8.7107 124.1948 55.9310 41.4857 176.7002 53 G 3.9941 10.6141 111.9919 45.3138 0.0000 174.0865 54 R 4.5054 7.7282 118.3971 55.2979 31.6966 175.4977 55 T 5.0321 8.5006 109.7714 59.8949 71.2475 175.7730 56 L 4.1090 8.6046 122.5282 58.2023 41.4906 180.2400 57 S 4.1544 8.2141 113.9728 61.5115 62.6560 176.1987 58 D 4.2839 7.7804 121.5558 56.7863 40.5548 177.3315 59 Y 4.5028 7.2931 112.9526 56.5281 38.6244 174.7353 60 N 4.0898 8.0788 117.5166 54.4974 37.9575 174.7612 61 I 3.8657 7.8113 118.4719 60.3295 37.3187 176.2863 62 Q 4.4816 8.2480 125.2704 53.4811 30.7423 175.2910 63 R 3.9935 8.2177 115.0299 58.2544 29.3482 176.8119 64 E 4.0052 9.1711 118.6683 56.7110 28.1479 175.0566 65 S 4.5461 7.7490 115.3992 59.2481 64.3021 173.2266 66 T 5.1844 8.6914 118.6739 62.1173 70.3414 174.0693 67 L 4.9674 9.1408 126.6680 53.8112 44.7016 175.0162 68 H 5.2797 9.1161 118.2747 54.0477 31.4778 172.9997 69 L 4.9200 8.7865 126.3614 53.7623 43.1507 175.6342 70 V 4.4738 8.8022 126.7504 61.0695 34.0758 174.7461 71 L 5.0315 8.5820 127.5563 54.3369 43.0486 175.8201 72 R 4.7980 8.8326 117.2042 54.2247 33.5688 174.4660 73 L 4.2568 8.4137 119.4693 54.0115 42.3520 177.3630 74 R 4.2717 7.9917 122.2064 55.7723 30.4708 176.5974 75 G 3.7213 8.6629 114.5132 45.5276 0.0000 173.5520 76 G 3.7302 8.5402 110.5675 45.4398 0.0000 173.5733 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 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 2 Q 8.23 4.85 0.00 1.89 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 3 I 8.76 4.51 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.05 0.75 0.00 0.00 4 F 8.86 5.38 0.00 3.07 2.95 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 5 V 9.12 4.84 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 0.91 0.00 0.00 6 K 9.12 5.09 0.00 1.79 1.55 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.37 7.81 7 T 8.80 4.69 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 1.26 0.00 0.00 8 L 8.34 4.17 0.00 1.67 1.77 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.94 4.28 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 10 G 8.28 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 7.85 4.23 0.00 1.90 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.43 5.04 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 1.25 0.00 0.00 13 I 9.08 4.42 1.97 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 1.38 0.62 0.92 0.00 0.00 14 T 8.55 5.01 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 1.18 0.00 0.00 15 L 8.68 4.80 0.00 1.41 1.44 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.62 4.87 0.00 1.80 1.84 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 2.19 2.23 0.00 17 V 8.78 4.72 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 0.60 0.00 0.00 0.83 0.00 0.00 18 E 9.04 4.73 0.00 1.82 1.76 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 2.18 2.37 0.00 19 P 0.00 4.15 0.00 2.15 2.10 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 2.10 2.07 0.00 20 S 7.90 4.42 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 8.07 4.44 0.00 2.82 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 8.18 4.74 4.44 0.00 0.00 0.00 0.00 0.00 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 8.47 3.71 2.00 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 1.87 1.07 0.95 0.00 0.00 24 E 8.15 3.95 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 25 N 8.27 4.29 0.00 2.92 2.86 0.00 0.00 6.68 7.41 0.00 0.00 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 7.85 3.55 2.20 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 0.98 0.00 0.00 0.90 0.00 0.00 27 K 8.57 4.19 0.00 1.96 1.88 0.00 1.84 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.49 7.81 28 A 8.13 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 8.04 3.97 0.00 1.96 1.84 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.97 3.76 2.13 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 1.40 0.83 0.91 0.00 0.00 31 Q 8.39 4.05 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 32 D 7.98 4.35 0.00 2.90 2.71 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 33 K 7.59 4.26 0.00 1.87 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.62 7.81 34 E 8.52 4.62 0.00 1.96 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 2.31 2.42 0.00 35 G 8.37 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 36 I 7.40 4.08 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 0.76 0.91 0.00 0.00 37 P 0.00 4.41 0.00 2.30 1.97 0.00 3.73 0.00 0.00 3.98 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 4.20 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 39 D 8.11 4.59 0.00 2.90 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 40 Q 8.26 4.84 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.15 0.00 41 Q 8.23 4.95 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 42 R 9.06 4.73 0.00 1.82 1.79 0.00 3.08 0.00 0.00 3.17 7.18 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 8.48 5.22 0.00 1.52 1.51 0.88 0.88 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 44 I 8.72 5.06 1.91 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 1.13 1.15 0.94 0.00 0.00 45 F 9.35 4.96 0.00 3.02 2.75 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 0.00 0.00 0.00 46 A 9.04 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.41 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 0.00 0.00 0.00 48 K 7.84 4.58 0.00 1.92 1.75 0.00 1.95 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.54 7.81 49 Q 8.50 4.56 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.80 3.98 0.00 1.37 1.27 0.68 -0.12 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 9.26 4.60 0.00 2.09 1.94 0.00 0.00 0.00 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 2.42 0.00 52 D 8.71 4.67 0.00 2.68 2.71 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 53 G 10.61 3.99 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 0.00 0.00 0.00 54 R 7.73 4.51 0.00 2.18 1.88 0.00 3.12 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 55 T 8.50 5.03 4.49 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 0.00 0.00 0.00 1.20 0.00 0.00 56 L 8.60 4.11 0.00 1.85 1.70 0.91 0.69 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 57 S 8.21 4.15 0.00 4.05 4.11 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 58 D 7.78 4.28 0.00 2.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 4.50 0.00 3.08 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 60 N 8.08 4.09 0.00 2.89 2.97 0.00 0.00 7.10 7.48 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 61 I 7.81 3.87 1.77 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.50 0.54 0.00 0.00 62 Q 8.25 4.48 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.01 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 63 R 8.22 3.99 0.00 1.90 1.94 0.00 3.13 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 64 E 9.17 4.01 0.00 2.24 2.41 0.00 0.00 0.00 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 2.49 0.00 65 S 7.75 4.55 0.00 3.76 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 66 T 8.69 5.18 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 1.19 0.00 0.00 67 L 9.14 4.97 0.00 1.54 1.59 0.81 0.67 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 68 H 9.12 5.28 0.00 3.07 3.22 0.00 5.60 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 8.79 4.92 0.00 1.62 1.58 0.99 1.14 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 8.80 4.47 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 1.00 0.00 0.00 0.95 0.00 0.00 71 L 8.58 5.03 0.00 1.57 1.58 0.92 0.88 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 72 R 8.83 4.80 0.00 1.81 1.97 0.00 2.77 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 73 L 8.41 4.26 0.00 1.64 1.64 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.99 4.27 0.00 1.77 1.85 0.00 3.06 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 75 G 8.66 3.72 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 0.00 0.00 0.00 76 G 8.54 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