NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4885 0.0000 0.0000 62.3565 33.6333 174.8733 2 I 4.8971 8.2796 122.6713 59.0855 40.0365 173.0522 3 A 4.7980 9.5023 129.7776 49.9825 22.2948 174.3967 4 Q 4.8785 8.6703 122.3908 54.3507 31.6295 174.3672 5 I 4.4717 8.7502 127.8340 59.8490 39.9414 174.2758 6 H 5.2469 8.8177 124.4644 54.3120 29.8150 174.3310 7 I 4.6367 8.2498 116.5438 58.5575 41.2875 174.8753 8 L 4.6495 8.3325 123.2194 54.3313 42.1862 176.9941 9 E 4.2341 8.7203 121.3455 57.1782 29.8772 176.0317 10 G 3.5781 8.7871 109.2729 45.6404 0.0000 174.6365 11 R 4.3918 7.6400 119.3883 55.3844 31.4350 176.7617 12 S 4.5283 8.2537 116.1066 57.7821 65.5561 175.1932 13 D 4.3929 8.5035 121.5318 57.3420 40.4685 178.9807 14 E 3.9273 8.0771 118.7004 59.5442 29.5270 179.0384 15 Q 4.0109 7.7354 118.0275 59.1724 28.8155 179.3974 16 K 3.9717 7.9476 118.7885 59.2382 31.8803 179.1149 17 E 3.9812 8.1592 119.9048 59.3616 29.5182 179.0665 18 T 3.9008 7.9230 116.0143 66.2598 68.5310 176.4379 19 L 3.9202 8.0986 122.4918 58.4392 42.1312 179.1537 20 I 3.6815 7.7475 119.5659 64.2871 36.9723 178.4983 21 R 3.9119 7.7407 119.4360 59.3152 30.0024 178.3056 22 E 3.9377 8.6011 118.8072 59.5253 29.5064 179.6143 23 V 3.6172 7.9768 118.2798 66.0698 31.5937 178.2428 24 S 4.1601 7.9641 114.5221 61.4897 62.5784 176.6453 25 E 3.9168 8.2678 121.1588 59.2956 29.2528 178.9734 26 A 3.9857 7.9594 120.8196 55.3100 18.4367 179.8375 27 I 3.6316 7.8553 118.0609 64.6126 37.1774 178.5741 28 S 4.1647 7.9677 113.9439 61.2963 61.8780 176.1757 29 R 3.8264 8.6310 121.5851 59.7029 29.7224 178.5924 30 S 4.1080 8.0044 113.5026 61.2033 62.8967 175.4631 31 L 4.4078 7.7649 116.5914 53.6469 42.0035 175.6080 32 D 4.3427 7.5591 116.8309 55.2267 40.0625 172.8687 33 A 4.7623 7.4582 118.8348 48.9097 21.3584 175.8975 34 P 4.2902 0.0000 0.0000 62.6366 32.0939 176.9053 35 L 3.8805 8.9236 124.7944 58.5237 41.9072 178.7957 36 T 4.0622 7.8940 106.2500 63.3690 68.6970 174.5830 37 S 4.4723 7.9613 116.3131 58.6844 63.9077 174.3651 38 V 4.1137 7.6075 122.4733 62.7505 32.2440 175.3602 39 R 4.7016 8.8824 126.1211 54.3401 33.3514 174.5613 40 V 4.8822 8.5025 123.0173 61.0574 34.6313 174.5013 41 I 4.5522 8.7965 127.7097 59.6288 40.2707 174.2915 42 I 4.7122 8.4023 127.8917 60.1316 39.0208 175.3772 43 T 4.4990 8.6981 123.0435 61.7372 71.4112 173.1669 44 E 4.7596 8.8433 126.3314 56.1387 30.8738 176.0752 45 M 4.8688 8.8172 122.5212 53.2574 35.2797 175.6631 46 A 4.5056 8.5420 125.1793 51.6346 19.3845 178.7191 47 K 3.9420 8.5477 120.4463 59.1756 32.2567 178.3835 48 G 4.0957 7.9837 105.4558 45.6428 0.0000 173.4241 49 H 4.9795 8.5711 114.4405 54.8449 29.8430 173.3671 50 F 5.0477 8.1655 122.3991 56.3401 41.5369 173.5673 51 G 4.1862 8.3933 116.4659 43.5175 0.0000 172.1837 52 I 4.1078 8.1844 123.0639 60.0067 39.6645 176.1012 53 G 3.9218 9.5414 113.5435 46.4960 0.0000 173.9592 54 G 3.9255 8.8355 105.4409 44.9659 0.0000 173.7392 55 E 4.6844 7.6535 117.8718 53.6372 33.7532 175.1793 56 L 4.3168 8.4738 121.2803 55.1785 42.4724 178.5568 57 A 4.0211 8.9942 126.2354 55.0760 18.7068 179.9456 58 S 4.1751 8.2456 109.7449 61.5097 62.8149 175.3391 59 K 4.4225 7.7412 117.4021 56.0027 31.9249 177.1662 60 V 4.0229 8.0359 125.4429 61.9771 31.4258 174.7687 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 P 0.00 4.49 0.00 2.09 2.03 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.28 4.90 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 1.27 0.72 0.90 0.00 0.00 3 A 9.50 4.80 1.18 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 0.00 0.00 4 Q 8.67 4.88 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.64 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 5 I 8.75 4.47 1.83 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 1.21 0.61 0.88 0.00 0.00 6 H 8.82 5.25 0.00 2.91 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.25 4.64 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 1.18 1.20 0.86 0.00 0.00 8 L 8.33 4.65 0.00 1.53 1.63 1.01 1.02 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 9 E 8.72 4.23 0.00 1.96 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 0.00 2.31 2.27 0.00 10 G 8.79 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 11 R 7.64 4.39 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 12 S 8.25 4.53 0.00 4.00 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 13 D 8.50 4.39 0.00 2.78 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 14 E 8.08 3.93 0.00 2.05 1.99 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 2.40 2.46 0.00 15 Q 7.74 4.01 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 16 K 7.95 3.97 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.16 3.98 0.00 2.27 1.99 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 2.30 2.34 0.00 18 T 7.92 3.90 4.40 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 1.21 0.00 0.00 19 L 8.10 3.92 0.00 1.81 1.85 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.75 3.68 2.00 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 1.39 0.90 0.90 0.00 0.00 21 R 7.74 3.91 0.00 1.82 1.90 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.60 3.94 0.00 2.00 1.98 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 2.46 2.46 0.00 23 V 7.98 3.62 2.23 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 1.02 0.00 0.00 0.92 0.00 0.00 24 S 7.96 4.16 0.00 4.14 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.27 3.92 0.00 2.09 1.99 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 2.49 2.46 0.00 26 A 7.96 3.99 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 27 I 7.86 3.63 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 1.40 1.03 0.91 0.00 0.00 28 S 7.97 4.16 0.00 3.91 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 29 R 8.63 3.83 0.00 2.11 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.00 4.11 0.00 3.94 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 31 L 7.76 4.41 0.00 1.65 1.69 0.92 1.06 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 32 D 7.56 4.34 0.00 2.77 2.70 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 33 A 7.46 4.76 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 34 P 0.00 4.29 0.00 2.22 2.21 0.00 3.73 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 2.07 1.96 0.00 35 L 8.92 3.88 0.00 1.74 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.89 4.06 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 37 S 7.96 4.47 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 38 V 7.61 4.11 2.16 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 0.75 0.00 0.00 0.98 0.00 0.00 39 R 8.88 4.70 0.00 1.81 1.76 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 40 V 8.50 4.88 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.80 4.55 1.84 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 1.21 0.68 0.87 0.00 0.00 42 I 8.40 4.71 1.84 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 1.31 0.50 0.87 0.00 0.00 43 T 8.70 4.50 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 1.20 0.00 0.00 44 E 8.84 4.76 0.00 1.84 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 2.27 2.31 0.00 45 M 8.82 4.87 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 46 A 8.54 4.51 1.09 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 0.00 0.00 47 K 8.55 3.94 0.00 1.80 1.95 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.46 7.81 48 G 7.98 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.57 4.98 0.00 3.39 3.31 0.00 5.62 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 50 F 8.17 5.05 0.00 2.97 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 51 G 8.39 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 4.11 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.70 0.83 0.00 0.00 53 G 9.54 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 54 G 8.84 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 55 E 7.65 4.68 0.00 1.90 1.74 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 2.19 2.22 0.00 56 L 8.47 4.32 0.00 1.69 1.61 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.99 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.18 0.00 4.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 4.42 0.00 1.79 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.36 7.81 60 V 8.04 4.02 2.05 0.00 0.00 0.00 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 0.91 0.00 0.00