NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4831 0.0000 0.0000 62.3527 33.7035 174.6772 2 F 5.2641 8.8439 124.6401 56.4061 41.2220 172.8418 3 I 4.1629 9.0463 128.8380 59.4483 39.6239 173.8302 4 E 4.7325 8.2450 128.2498 54.3965 31.5562 174.5350 5 C 4.7174 8.9707 124.8021 58.3321 31.1843 172.6299 6 H 5.4960 8.8831 122.0601 54.2857 29.6245 174.2807 7 I 4.8095 8.7052 116.5005 58.4355 41.4108 174.6855 8 A 4.6327 8.4877 124.2639 51.8584 18.8993 177.5525 9 T 3.8915 8.3759 116.0671 62.7592 67.7592 173.0680 10 G 3.4940 8.7910 115.4705 45.4212 0.0000 174.4533 11 L 4.2902 7.5383 120.6414 54.0196 42.7487 177.3215 12 S 4.4409 8.2588 116.4312 57.7486 65.3104 175.5266 13 V 3.5494 8.2760 121.2935 66.2068 31.2484 177.8683 14 A 3.9747 7.9620 119.9087 55.3087 18.2555 179.4697 15 R 3.8875 8.1178 117.1461 59.3527 30.1329 178.9109 16 K 3.9918 8.2232 118.4954 59.4373 32.0467 179.2880 17 Q 3.9969 8.2568 118.4331 59.0330 28.5604 178.6716 18 Q 3.9584 8.1206 120.5487 58.9571 29.0112 177.9499 19 L 3.9215 8.0541 121.3772 58.3085 42.0833 179.0560 20 I 3.6774 7.8290 119.5575 64.3504 37.0219 178.1983 21 R 3.8824 8.0397 119.4569 59.8433 29.8119 178.3298 22 D 4.3522 8.4190 118.7337 57.1012 40.7635 178.9001 23 V 3.5626 8.2077 119.3528 65.9739 31.5480 178.1011 24 I 3.6645 7.8973 119.5660 64.3958 36.9503 177.8236 25 D 4.3227 8.1966 118.7502 57.6805 41.0359 178.8587 26 V 3.6721 8.0290 112.8680 64.3842 31.4531 178.8398 27 T 3.8331 7.9082 115.7690 66.5980 68.3237 176.0493 28 N 4.5537 8.1027 120.2260 56.2516 38.7280 177.0490 29 K 4.0639 8.0936 118.9524 59.0121 32.2072 179.0624 30 S 4.4341 8.2209 114.1831 59.8681 63.5830 174.9570 31 I 4.2708 7.7545 112.1793 59.6045 38.2483 176.2031 32 G 3.8992 8.2682 109.1679 45.8731 0.0000 173.9786 33 S 4.2026 7.7403 116.6445 57.8622 63.5248 173.3424 34 D 4.4610 8.6345 124.9135 53.5215 41.8519 175.0653 35 P 4.2597 0.0000 0.0000 65.6683 31.5045 178.5463 36 K 4.1039 8.6971 117.1378 58.3309 31.9879 177.6609 37 I 4.3959 7.8637 110.8546 60.3239 37.7143 174.7421 38 I 4.7062 7.5650 121.9173 60.2268 38.7551 174.9455 39 N 5.1860 9.3438 123.6964 51.4762 42.5027 173.5952 40 V 4.9840 8.5775 121.9882 61.0211 34.9167 174.0835 41 L 4.8014 9.0462 129.3826 53.2070 44.9063 174.4195 42 L 5.0165 8.6222 128.3088 53.4481 43.8159 175.4104 43 V 4.4383 8.8973 126.0264 61.1398 34.5821 173.7901 44 E 5.1494 8.7310 126.6461 55.2425 31.6407 174.9529 45 H 5.0872 9.0884 119.0894 53.6256 33.8938 173.0430 46 A 4.4179 8.5549 123.4897 52.0169 19.3404 178.6875 47 E 3.8525 8.8949 120.9275 59.4542 29.6961 179.6123 48 A 4.0566 7.8717 120.0568 54.7347 18.5273 177.5292 49 N 4.7740 7.9549 111.4471 53.3900 38.8596 174.7630 50 M 4.7234 7.8064 118.0374 53.3433 35.0678 175.0140 51 S 4.6296 8.5412 116.5445 56.5314 65.3106 172.7769 52 I 4.3970 8.2634 128.1353 60.7917 39.0148 175.8772 53 S 3.4951 9.5419 120.3471 59.7640 60.2118 173.3433 54 G 3.9146 8.3345 104.8129 45.9765 0.0000 174.4411 55 R 4.1934 7.7582 118.7719 55.4437 31.0490 175.9568 56 I 4.3382 8.0402 122.6865 59.3647 38.6029 174.8042 57 H 4.2747 8.7441 125.6298 57.8905 30.1972 173.4581 58 G 4.0410 8.7449 113.4629 45.6935 0.0000 173.2168 59 E 4.1628 7.7278 122.6251 56.3832 29.5395 176.0316 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 2.12 2.06 0.00 3.59 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 2.03 2.11 0.00 2 F 8.84 5.26 0.00 2.96 2.97 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 0.00 3 I 9.05 4.16 1.80 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 1.05 0.62 0.82 0.00 0.00 4 E 8.24 4.73 0.00 1.31 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.14 0.00 5 C 8.97 4.72 0.00 2.79 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 6 H 8.88 5.50 0.00 3.00 3.28 0.00 5.83 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 7 I 8.71 4.81 1.88 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 1.16 0.79 0.91 0.00 0.00 8 A 8.49 4.63 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 9 T 8.38 3.89 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 1.21 0.00 0.00 10 G 8.79 3.49 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 0.00 0.00 0.00 0.00 11 L 7.54 4.29 0.00 1.63 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.26 4.44 0.00 4.04 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 V 8.28 3.55 2.08 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 1.04 0.00 0.00 0.93 0.00 0.00 14 A 7.96 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.89 0.00 1.95 2.05 0.00 3.15 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 16 K 8.22 3.99 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 17 Q 8.26 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 18 Q 8.12 3.96 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 19 L 8.05 3.92 0.00 1.89 1.87 0.91 0.91 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 7.83 3.68 2.01 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 1.41 0.56 0.92 0.00 0.00 21 R 8.04 3.88 0.00 2.07 2.03 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 22 D 8.42 4.35 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 24 I 7.90 3.66 2.04 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 1.42 0.81 0.92 0.00 0.00 25 D 8.20 4.32 0.00 2.79 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 26 V 8.03 3.67 2.08 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 0.73 0.00 0.00 1.02 0.00 0.00 27 T 7.91 3.83 4.38 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 1.22 0.00 0.00 28 N 8.10 4.55 0.00 2.89 3.00 0.00 0.00 6.77 5.47 0.00 0.00 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 8.09 4.06 0.00 1.77 1.85 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.68 7.81 30 S 8.22 4.43 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 4.27 1.87 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 1.41 0.74 0.91 0.00 0.00 32 G 8.27 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 4.20 0.00 3.91 3.82 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 0.00 0.00 0.00 34 D 8.63 4.46 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.22 2.12 0.00 3.66 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 2.14 0.00 36 K 8.70 4.10 0.00 1.82 1.88 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.47 7.81 37 I 7.86 4.40 1.88 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 1.41 0.68 0.92 0.00 0.00 38 I 7.56 4.71 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 1.25 0.80 0.94 0.00 0.00 39 N 9.34 5.19 0.00 2.89 2.74 0.00 0.00 6.05 8.54 0.00 0.00 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 V 8.58 4.98 2.11 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 0.77 0.00 0.00 0.95 0.00 0.00 41 L 9.05 4.80 0.00 2.03 1.58 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.62 5.02 0.00 1.65 1.52 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.90 4.44 2.10 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 0.94 0.00 0.00 0.90 0.00 0.00 44 E 8.73 5.15 0.00 1.83 1.81 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 2.21 2.28 0.00 45 H 9.09 5.09 0.00 3.00 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.55 4.42 1.25 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 0.00 0.00 0.00 47 E 8.89 3.85 0.00 1.67 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 48 A 7.87 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.77 0.00 2.88 2.84 0.00 0.00 6.77 7.07 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 50 M 7.81 4.72 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 51 S 8.54 4.63 0.00 3.76 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.40 1.87 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 1.41 1.07 0.91 0.00 0.00 53 S 9.54 3.50 0.00 3.99 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 54 G 8.33 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 55 R 7.76 4.19 0.00 1.97 1.87 0.00 3.14 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 56 I 8.04 4.34 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 1.30 1.01 0.92 0.00 0.00 57 H 8.74 4.27 0.00 3.07 3.24 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.74 4.04 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 0.00 0.00 0.00 59 E 7.73 4.16 0.00 2.14 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 2.29 2.23 0.00