NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4806 0.0000 0.0000 62.3411 33.6235 174.8807 2 I 4.7882 8.3045 122.9852 59.0954 39.9420 173.0465 3 A 4.7876 9.4514 129.9637 49.9956 22.2112 174.4891 4 Q 4.9128 8.6611 122.4547 54.3750 31.5967 174.3605 5 I 4.4732 8.7698 127.9306 59.8554 39.9286 174.3154 6 H 5.3001 8.8046 124.2955 54.2861 29.8660 174.2495 7 I 4.6369 8.2909 116.5287 58.6068 41.2967 174.8763 8 L 4.6647 8.3141 122.9962 54.2739 42.2662 176.9589 9 E 4.2554 8.6168 120.8632 57.1609 29.9921 176.2143 10 G 3.6714 8.7812 108.2039 45.6037 0.0000 174.5469 11 R 4.3543 7.6489 119.2548 55.1746 31.6998 176.7527 12 S 4.5266 8.2955 115.6947 57.8025 65.5637 175.1760 13 D 4.3924 8.5236 121.7596 57.3881 40.4696 179.0147 14 E 3.9367 8.0732 118.6578 59.6063 29.5636 179.0493 15 Q 4.0146 7.8089 117.7910 59.1573 28.8056 179.3823 16 K 3.9944 8.0065 118.8911 59.1908 31.9143 179.1133 17 E 3.9813 8.1814 119.9006 59.3831 29.4597 179.0545 18 T 3.9031 8.0651 116.0291 66.2535 68.5380 176.4555 19 L 3.9252 8.0708 122.4070 58.4306 41.9892 179.1530 20 I 3.6995 7.8045 119.5725 64.2055 36.9730 178.5095 21 R 3.9028 7.6884 119.6435 59.3380 30.0368 178.2610 22 E 3.9580 8.4703 118.8205 59.5744 29.5026 179.6584 23 V 3.6334 7.9525 118.1875 66.0259 31.5643 178.2858 24 S 4.1632 7.9025 115.0896 61.4220 62.5441 176.5929 25 E 3.9139 8.3622 121.1700 59.2792 29.2511 178.9814 26 A 3.9665 7.9475 120.8213 55.3317 18.5088 179.8187 27 I 3.6368 7.8488 118.0804 64.5599 37.3501 178.6084 28 S 4.0773 7.9842 113.9620 61.2749 62.0620 176.0774 29 R 3.8490 8.6613 121.6854 59.7060 29.6936 178.5424 30 S 4.1481 7.9885 113.5532 61.1459 62.9990 175.9393 31 L 4.4187 7.6567 117.7560 53.2659 42.2903 175.6932 32 D 4.3304 7.6274 117.3830 55.2934 40.1253 172.8646 33 A 4.7858 7.5164 118.7473 48.9326 21.5606 175.7398 34 P 4.3104 0.0000 0.0000 62.5190 32.1677 176.9277 35 L 3.8859 8.9370 124.9997 58.5361 41.8894 178.7362 36 T 4.0886 7.8847 105.9256 63.2411 68.7180 174.5940 37 S 4.4586 8.0126 116.5425 58.7630 63.9065 174.3184 38 V 4.1025 7.6433 122.6279 62.7142 32.1602 175.2967 39 R 4.7037 8.9661 126.6723 54.3128 33.0848 174.7319 40 V 4.8786 8.4746 123.0982 61.0498 34.4412 174.4325 41 I 4.5441 8.8985 128.2599 59.6058 40.0573 174.3500 42 I 4.7707 8.3871 127.6787 60.0359 39.2073 175.3303 43 T 4.5166 8.7559 122.8248 61.7903 71.5460 173.0541 44 E 4.8186 8.8590 126.3360 55.9857 31.0066 175.9184 45 M 4.8690 8.7816 122.6966 53.2111 35.2425 175.6686 46 A 4.5504 8.5610 125.3230 51.6866 19.3511 178.6956 47 K 3.8937 8.5562 120.4794 59.1628 32.2567 178.3844 48 G 4.0932 7.9906 105.4768 45.6175 0.0000 173.4954 49 H 4.9652 8.5021 114.4929 54.8810 29.9920 173.4406 50 F 5.0738 8.2440 122.6159 56.1950 41.5610 173.6899 51 G 4.1775 8.3337 116.1718 43.5374 0.0000 172.2043 52 I 4.1279 8.0960 122.4973 59.9948 39.8546 176.0737 53 G 3.8325 9.6004 113.9166 46.5534 0.0000 174.1514 54 G 3.9362 8.7233 106.0015 44.8770 0.0000 173.8534 55 E 4.6968 7.6721 118.1076 53.6371 32.9414 175.2887 56 L 4.3361 8.4556 121.1488 55.2040 42.2492 178.6007 57 A 4.0768 8.6782 126.0548 55.0769 18.7337 179.2474 58 S 4.2841 8.2324 109.8895 61.4114 63.1576 174.4890 59 K 4.1545 7.5530 122.8150 56.2537 31.7196 176.6539 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 4.48 0.00 2.09 2.03 0.00 3.62 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 8.30 4.79 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 9.45 4.79 1.19 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 4 Q 8.66 4.91 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 8.77 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 0.64 0.88 0.00 0.00 6 H 8.80 5.30 0.00 2.91 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.29 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 1.05 0.86 0.00 0.00 8 L 8.31 4.66 0.00 1.52 1.63 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.62 4.26 0.00 1.97 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 2.30 2.27 0.00 10 G 8.78 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.65 4.35 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 12 S 8.30 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 8.52 4.39 0.00 2.78 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 14 E 8.07 3.94 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 7.81 4.01 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 16 K 8.01 3.99 0.00 1.82 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.67 7.81 17 E 8.18 3.98 0.00 2.30 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 8.07 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 8.07 3.93 0.00 1.83 1.83 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.80 3.70 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 1.13 0.90 0.00 0.00 21 R 7.69 3.90 0.00 1.94 1.90 0.00 3.10 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 8.47 3.96 0.00 2.02 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 2.47 2.46 0.00 23 V 7.95 3.63 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 7.90 4.16 0.00 4.08 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 8.36 3.91 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 2.48 2.47 0.00 26 A 7.95 3.97 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 7.85 3.64 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 1.24 0.91 0.00 0.00 28 S 7.98 4.08 0.00 3.91 4.08 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 29 R 8.66 3.85 0.00 2.12 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 7.99 4.15 0.00 3.93 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 7.66 4.42 0.00 1.64 1.69 0.92 0.96 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 32 D 7.63 4.33 0.00 2.75 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 7.52 4.79 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 34 P 0.00 4.31 0.00 2.23 2.20 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 1.95 0.00 35 L 8.94 3.89 0.00 1.73 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 7.88 4.09 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 8.01 4.46 0.00 3.97 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 7.64 4.10 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 8.97 4.70 0.00 1.80 1.77 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 1.56 0.00 40 V 8.47 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 8.90 4.54 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 0.66 0.87 0.00 0.00 42 I 8.39 4.77 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 0.51 0.87 0.00 0.00 43 T 8.76 4.52 3.97 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 0.00 0.00 1.21 0.00 0.00 44 E 8.86 4.82 0.00 1.84 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 2.26 2.31 0.00 45 M 8.78 4.87 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 1.39 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 8.56 4.55 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 8.56 3.89 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 7.99 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 0.00 0.00 0.00 49 H 8.50 4.97 0.00 3.42 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.24 5.07 0.00 2.96 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 51 G 8.33 4.18 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 0.00 52 I 8.10 4.13 1.69 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 0.89 0.46 0.83 0.00 0.00 53 G 9.60 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.72 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.67 4.70 0.00 1.97 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 2.18 2.21 0.00 56 L 8.46 4.34 0.00 1.69 1.61 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.68 4.08 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 8.23 4.28 0.00 4.00 4.20 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 59 K 7.55 4.15 0.00 1.80 1.76 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.38 7.81