NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4867 0.0000 0.0000 62.3630 33.6431 174.9304 2 I 4.8786 8.2703 122.6430 59.1338 40.1620 172.9996 3 A 4.7822 9.4790 130.0091 49.9971 22.1669 174.4996 4 Q 4.9454 8.6902 122.6436 54.3956 31.5588 174.3810 5 I 4.4756 8.8633 128.1414 59.9019 39.7740 174.3551 6 H 5.2364 8.8568 124.6518 54.3862 29.7482 174.3970 7 I 4.6314 8.2304 116.4836 58.5813 41.3091 174.8370 8 L 4.6901 8.3147 122.9490 54.2304 42.2429 176.9971 9 E 4.2366 8.6879 121.1045 57.1533 29.8755 175.9964 10 G 3.5652 8.7574 109.3179 45.6164 0.0000 174.6091 11 R 4.4095 7.6299 119.4171 55.3277 31.2975 176.7686 12 S 4.5288 8.3039 116.0760 57.7643 65.5959 175.2162 13 D 4.3789 8.4793 121.3158 57.3045 40.4656 178.9119 14 E 3.9476 8.0848 118.7130 59.6045 29.5187 179.1167 15 Q 4.0197 7.7667 118.0749 59.0979 28.7783 179.2986 16 K 3.9751 7.9292 119.1944 59.2351 31.9498 179.0998 17 E 3.9560 8.1940 119.8466 59.4239 29.4765 179.1012 18 T 3.8837 8.0028 115.9529 66.2967 68.5374 176.4095 19 L 3.9217 8.0990 122.4886 58.4614 42.0565 179.1483 20 I 3.6934 7.8440 119.5511 64.2395 36.9566 178.5287 21 R 3.8832 7.7638 119.2231 59.3405 30.0498 178.2638 22 E 3.9444 8.4864 118.8155 59.5976 29.5300 179.6586 23 V 3.6319 7.9469 118.1654 66.0250 31.5448 178.2370 24 S 4.1584 7.8538 114.7138 61.4687 62.5953 176.5935 25 E 3.9004 8.4049 121.0969 59.3383 29.2774 178.9748 26 A 3.9817 8.0085 120.7751 55.3812 18.4674 179.8269 27 I 3.6439 7.8268 118.0175 64.6012 37.2480 178.6191 28 S 4.0887 7.9975 113.9876 61.2384 62.0389 176.1634 29 R 3.8316 8.6423 121.6422 59.6832 29.7223 178.5570 30 S 4.1062 7.9525 113.4616 61.2680 62.8930 175.5059 31 L 4.4020 7.7452 116.3757 53.6603 41.9734 175.6300 32 D 4.3400 7.4749 117.1630 55.2286 40.0745 172.8687 33 A 4.7621 7.4734 118.6226 48.9066 21.4101 175.8672 34 P 4.2848 0.0000 0.0000 62.6388 32.0697 176.8773 35 L 3.8953 8.9434 125.1114 58.5071 41.8973 178.7731 36 T 4.0742 7.8836 106.1748 63.3389 68.7251 174.6397 37 S 4.4499 8.0314 116.5102 58.8950 63.9076 174.4643 38 V 4.0622 7.6281 122.5195 62.8297 32.1556 175.3684 39 R 4.7036 8.8988 126.2846 54.3196 33.3176 174.5757 40 V 4.8802 8.4984 123.0830 61.0519 34.4857 174.4266 41 I 4.5568 8.9565 128.2421 59.5869 40.1017 174.3225 42 I 4.7888 8.3910 127.5606 59.9628 39.2912 175.2867 43 T 4.4848 8.6905 122.8603 61.7531 71.4609 173.1301 44 E 4.7395 8.8273 126.3138 56.0613 30.9571 175.9901 45 M 4.8464 8.8159 122.6612 53.2033 35.1261 175.7360 46 A 4.4983 8.5707 125.4647 51.7122 19.3456 178.6558 47 K 3.9225 8.5820 120.3938 59.1722 32.2494 178.4192 48 G 4.0833 7.9900 105.4651 45.6437 0.0000 173.4827 49 H 4.9606 8.5206 114.5938 54.9042 29.8582 173.4790 50 F 5.0951 8.1911 122.6153 56.2803 41.4214 173.6636 51 G 4.1582 8.3988 116.4191 43.5313 0.0000 172.2316 52 I 4.1139 8.0907 122.7649 59.9667 39.6627 176.0607 53 G 3.9606 9.4870 114.1932 46.6172 0.0000 174.0799 54 G 3.9317 8.7057 105.7747 44.9695 0.0000 173.8811 55 E 4.6876 7.6218 118.0363 53.6446 33.1006 175.2604 56 L 4.3316 8.4649 121.2875 55.2217 42.4767 178.5553 57 A 4.0644 8.9436 125.8698 55.0969 18.7402 180.0201 58 S 4.1177 8.2799 109.7120 61.6852 62.7697 175.5195 59 K 4.3602 7.6111 116.0938 56.3229 31.8583 177.3389 60 V 4.0294 7.8042 125.0397 61.9045 31.4647 175.0102 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 2.01 2.12 0.00 2 I 8.27 4.88 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 0.91 0.00 0.00 3 A 9.48 4.78 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 8.69 4.95 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 5 I 8.86 4.48 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 1.22 0.61 0.89 0.00 0.00 6 H 8.86 5.24 0.00 2.90 3.09 0.00 5.64 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 8.23 4.63 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 1.17 1.28 0.86 0.00 0.00 8 L 8.31 4.69 0.00 1.53 1.63 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.69 4.24 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 8.76 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.63 4.41 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 12 S 8.30 4.53 0.00 4.00 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 13 D 8.48 4.38 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 3.95 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 7.77 4.02 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 7.93 3.98 0.00 1.75 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.19 3.96 0.00 2.29 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 2.30 2.34 0.00 18 T 8.00 3.88 4.41 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 1.21 0.00 0.00 19 L 8.10 3.92 0.00 1.82 1.85 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.84 3.69 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 1.19 0.90 0.00 0.00 21 R 7.76 3.88 0.00 1.96 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 8.49 3.94 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 2.48 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 1.03 0.00 0.00 0.95 0.00 0.00 24 S 7.85 4.16 0.00 4.13 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 8.40 3.90 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 8.01 3.98 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 27 I 7.83 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 1.19 0.91 0.00 0.00 28 S 8.00 4.09 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 8.64 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 7.95 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 7.75 4.40 0.00 1.66 1.69 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.47 4.34 0.00 2.74 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 7.47 4.76 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 34 P 0.00 4.28 0.00 2.23 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 8.94 3.90 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 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.88 4.07 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 8.03 4.45 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.06 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 0.93 0.00 0.00 39 R 8.90 4.70 0.00 1.81 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 1.57 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 0.81 0.00 0.00 0.92 0.00 0.00 41 I 8.96 4.56 1.85 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 0.54 0.88 0.00 0.00 42 I 8.39 4.79 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 1.32 0.52 0.87 0.00 0.00 43 T 8.69 4.48 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 1.12 0.00 0.00 44 E 8.83 4.74 0.00 1.83 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 8.82 4.85 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 1.60 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 8.57 4.50 1.10 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 47 K 8.58 3.92 0.00 1.81 1.94 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 1.45 7.81 48 G 7.99 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 0.00 0.00 0.00 49 H 8.52 4.96 0.00 3.41 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 5.10 0.00 2.96 2.94 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 G 8.40 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.09 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 0.90 0.51 0.82 0.00 0.00 53 G 9.49 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 54 G 8.71 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 7.62 4.69 0.00 1.91 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 4.33 0.00 1.69 1.61 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.94 4.06 1.49 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 58 S 8.28 4.12 0.00 4.00 4.21 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 59 K 7.61 4.36 0.00 1.81 1.87 0.00 1.64 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 1.47 1.37 7.81 60 V 7.80 4.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00