NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4647 0.0000 0.0000 62.6215 33.6194 174.4676 2 H 5.1959 8.8126 122.4503 54.0875 31.9579 171.3233 3 I 4.4449 8.8139 127.4765 59.4526 40.1055 173.4943 4 D 5.2641 8.6941 126.3414 52.4515 43.4421 174.8873 5 I 4.5583 8.8929 127.1457 59.5708 39.7068 174.5591 6 K 5.6928 9.0289 126.5632 54.2752 34.4116 175.3035 7 C 4.8155 8.5721 117.2646 56.9560 33.1080 173.1559 8 F 5.5771 8.2672 117.9926 56.3971 39.2886 173.8058 9 P 4.8565 0.0000 0.0000 63.2708 31.8115 176.0341 10 R 4.4582 8.9628 119.9258 55.6730 32.2575 175.4843 11 E 4.1932 8.6412 116.0741 55.5088 29.4514 177.4350 12 L 4.9018 8.2446 124.7355 51.4162 44.7037 177.3468 13 D 4.7494 9.3789 125.0978 52.3398 42.2391 177.1055 14 E 3.9636 8.5432 118.0564 59.4842 29.3293 179.3198 15 Q 3.9467 8.0981 119.2656 59.2585 29.2165 178.1471 16 Q 4.0183 8.7942 119.4894 58.9305 28.6797 178.9112 17 K 4.0036 8.3231 119.4103 59.3906 32.0132 179.3242 18 A 3.9747 8.3678 121.1146 54.9546 18.2519 179.6117 19 A 3.9151 8.1142 119.4769 55.0423 18.4459 179.5367 20 L 3.8406 7.9875 118.6763 58.3209 42.1507 178.9957 21 A 3.9773 8.2356 120.5604 55.1981 18.3116 179.4448 22 A 3.9383 8.2232 119.2880 55.4868 18.4773 179.6831 23 D 4.3374 8.1371 117.4107 57.4416 40.8208 179.0093 24 I 3.7140 7.9455 120.4281 64.6115 37.0108 178.5243 25 T 3.8397 8.0902 116.6254 66.6192 68.2989 175.9729 26 D 4.3008 8.0880 119.7873 57.4461 41.2546 178.3499 27 V 3.6542 7.6948 118.5139 66.2717 31.3955 178.0490 28 I 3.7442 8.0074 119.4711 64.3314 36.9011 178.3613 29 I 3.6936 7.9788 120.8349 64.7367 36.7806 178.7959 30 R 3.9774 8.0097 117.2552 59.0038 29.9396 178.0712 31 H 4.5831 8.3170 114.7661 56.5821 29.3292 176.0238 32 L 4.4940 7.9383 118.0928 53.4656 42.2072 175.6533 33 N 4.1021 7.9474 115.5734 54.9448 37.0125 172.5665 34 S 4.7610 7.6886 110.4879 56.4257 65.5406 172.1982 35 K 4.7363 7.9342 119.6559 54.0261 35.7308 177.0613 36 D 4.3692 8.8238 120.6656 57.5588 41.1978 178.9941 37 S 4.2048 8.0554 111.7199 60.9632 62.9964 174.9706 38 S 4.4465 7.8202 114.7962 58.9731 63.1085 173.6172 39 I 4.8634 7.5138 122.4436 59.5870 38.4529 175.3638 40 S 4.9148 8.9631 121.0545 56.6205 66.3978 173.1362 41 I 5.0975 8.3162 121.3689 59.7780 40.6662 174.2231 42 A 4.8314 9.1087 129.0086 50.0084 21.9269 175.1327 43 L 5.0937 8.5039 122.1905 53.4772 44.9333 175.5436 44 Q 4.7082 9.3534 126.2709 54.2207 31.6455 174.7322 45 Q 5.0194 8.8350 123.6305 55.0172 30.3764 175.2146 46 I 4.6645 9.1234 125.1707 59.2326 40.2421 175.6786 47 Q 4.2256 8.7936 125.9435 55.2013 29.6241 175.6246 48 P 3.2401 0.0000 0.0000 65.3946 31.3432 178.3336 49 E 4.1384 7.9809 113.6550 58.0823 30.0370 177.2780 50 S 4.7184 8.2090 115.8530 58.2897 63.5146 175.6721 51 W 4.3790 8.3274 132.7551 60.2378 30.2687 177.7217 52 Q 4.1008 8.4280 119.2612 59.3096 28.4338 178.1862 53 A 4.0197 7.7384 120.7464 55.0362 18.2598 179.7864 54 I 3.4418 7.3255 118.0170 63.9497 37.1208 178.0333 55 W 4.0283 8.0880 129.3886 60.8103 30.3300 177.8205 56 D 4.3856 8.4622 117.3758 56.9502 40.3331 177.9338 57 A 4.3018 7.9139 119.7872 53.1684 19.3539 178.0270 58 E 4.3263 7.9622 114.9585 58.0767 31.1985 178.3032 59 I 3.6410 7.1450 118.7927 63.8227 37.4428 177.9081 60 A 3.3730 7.1140 121.5256 54.7457 18.0074 178.0680 61 P 4.1873 0.0000 0.0000 65.0365 31.6817 177.8367 62 Q 4.3209 7.3664 114.7148 55.8795 28.8097 176.8333 63 M 3.8935 7.7592 122.3931 58.7438 31.9168 178.0165 64 E 3.9621 8.1883 114.8015 58.1586 29.8851 176.9912 65 A 4.6161 7.9983 120.1300 51.3346 20.8268 176.3678 66 L 4.0116 7.1770 115.4482 55.2271 42.0611 177.7665 67 I 3.9325 8.2143 115.2488 62.3485 38.2500 175.9239 68 K 4.4313 7.6277 121.5553 54.5905 34.4474 175.4449 69 K 4.3096 8.5206 126.0900 54.6925 33.1105 175.1830 70 P 4.4337 0.0000 0.0000 63.1941 31.6860 176.1062 71 G 4.1116 8.6488 107.8516 45.4411 0.0000 172.7405 72 Y 4.9684 7.2462 116.4090 54.8880 41.2256 174.2567 73 S 4.5290 8.4498 113.9547 56.9218 65.7564 173.7682 74 M 4.4780 5.8600 121.4638 54.5948 32.9215 175.4209 75 N 4.6032 8.1179 116.0378 53.2739 39.5250 175.4997 76 A 4.3387 8.6278 124.8703 52.2642 19.3655 175.9429 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 4.46 0.00 2.10 2.04 0.00 3.52 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 2.02 2.10 0.00 2 H 8.81 5.20 0.00 3.18 3.19 0.00 5.88 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 3 I 8.81 4.44 1.82 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 1.09 0.44 0.89 0.00 0.00 4 D 8.69 5.26 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.89 4.56 1.91 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 1.25 0.52 0.96 0.00 0.00 6 K 9.03 5.69 0.00 1.77 1.98 0.00 1.73 0.00 0.00 2.32 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 7 C 8.57 4.82 0.00 2.93 3.03 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 8 F 8.27 5.58 0.00 2.63 2.87 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 0.00 0.00 0.00 9 P 0.00 4.86 0.00 1.95 2.01 0.00 3.72 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 10 R 8.96 4.46 0.00 1.88 1.87 0.00 3.48 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 11 E 8.64 4.19 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 12 L 8.24 4.90 0.00 1.58 1.58 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.38 4.75 0.00 2.90 2.83 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 14 E 8.54 3.96 0.00 2.00 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 0.00 2.41 2.32 0.00 15 Q 8.10 3.95 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 16 Q 8.79 4.02 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 17 K 8.32 4.00 0.00 1.94 1.87 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.55 7.81 18 A 8.37 3.97 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 19 A 8.11 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.84 0.00 1.79 1.86 0.93 0.96 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 21 A 8.24 3.98 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 22 A 8.22 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.14 4.34 0.00 2.94 2.73 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 24 I 7.95 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 1.70 0.87 0.91 0.00 0.00 25 T 8.09 3.84 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 1.25 0.00 0.00 26 D 8.09 4.30 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 3.65 2.24 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 0.97 0.00 0.00 0.98 0.00 0.00 28 I 8.01 3.74 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 1.74 0.79 0.92 0.00 0.00 29 I 7.98 3.69 2.02 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 1.67 1.32 0.97 0.00 0.00 30 R 8.01 3.98 0.00 1.76 1.91 0.00 3.13 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 31 H 8.32 4.58 0.00 3.24 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.94 4.49 0.00 1.74 1.67 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.95 4.10 0.00 2.81 2.83 0.00 0.00 6.90 7.63 0.00 0.00 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 S 7.69 4.76 0.00 3.84 3.75 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 35 K 7.93 4.74 0.00 1.81 1.63 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.38 7.81 36 D 8.82 4.37 0.00 2.67 2.67 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 37 S 8.06 4.20 0.00 4.02 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 38 S 7.82 4.45 0.00 4.05 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 39 I 7.51 4.86 1.99 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 1.29 0.66 0.92 0.00 0.00 40 S 8.96 4.91 0.00 3.94 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 41 I 8.32 5.10 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 1.26 0.66 0.90 0.00 0.00 42 A 9.11 4.83 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 L 8.50 5.09 0.00 1.62 1.56 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.35 4.71 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 45 Q 8.84 5.02 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 46 I 9.12 4.66 2.46 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 1.17 0.00 0.00 47 Q 8.79 4.23 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 48 P 0.00 3.24 0.00 1.82 1.27 0.00 3.35 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.11 0.00 49 E 7.98 4.14 0.00 2.06 2.03 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 2.26 2.26 0.00 50 S 8.21 4.72 0.00 4.05 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 51 W 8.33 4.38 0.00 3.68 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.43 4.10 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 53 A 7.74 4.02 1.41 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 0.00 0.00 0.00 0.00 0.00 54 I 7.33 3.44 0.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.21 0.25 0.00 0.00 55 W 8.09 4.03 0.00 3.57 3.31 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 56 D 8.46 4.39 0.00 2.71 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 57 A 7.91 4.30 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 4.33 0.00 1.87 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 2.11 2.32 0.00 59 I 7.15 3.64 1.19 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.42 0.00 0.00 60 A 7.11 3.37 0.75 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 0.00 0.00 61 P 0.00 4.19 0.00 1.93 2.05 0.00 3.25 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 62 Q 7.37 4.32 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 63 M 7.76 3.89 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 64 E 8.19 3.96 0.00 2.08 2.04 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 2.23 2.27 0.00 65 A 8.00 4.62 1.21 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 0.00 0.00 0.00 66 L 7.18 4.01 0.00 1.73 1.74 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.21 3.93 1.86 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 1.28 0.51 0.90 0.00 0.00 68 K 7.63 4.43 0.00 1.67 1.68 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.45 7.81 69 K 8.52 4.31 0.00 1.77 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.40 7.81 70 P 0.00 4.43 0.00 1.57 1.93 0.00 3.68 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 2.01 1.88 0.00 71 G 8.65 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 0.00 0.00 0.00 72 Y 7.25 4.97 0.00 3.02 2.89 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 73 S 8.45 4.53 0.00 3.95 3.87 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 0.00 0.00 0.00 74 M 5.86 4.48 0.00 1.45 0.87 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 75 N 8.12 4.60 0.00 2.78 2.89 0.00 0.00 6.95 7.35 0.00 0.00 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 A 8.63 4.34 1.23 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