NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3955 8.3049 120.3264 55.2003 32.4135 174.6548 2 L 4.3184 8.4124 124.4723 51.9383 43.4623 174.8958 3 I 4.2449 9.1256 126.4869 59.1910 39.1586 174.1824 4 L 4.7693 8.1316 127.6114 52.6659 44.2946 177.0788 5 T 4.0273 8.4022 120.3126 64.0958 69.0719 173.5082 6 R 4.6004 7.4367 122.8223 55.2634 33.1799 174.7019 7 R 5.0645 7.6919 123.4022 54.7949 31.1604 172.7445 8 V 4.2700 8.2757 124.2626 59.7292 36.3346 173.5771 9 G 4.6625 7.3457 113.3081 45.6786 0.0000 173.3534 10 E 4.1754 8.2200 126.3546 58.7013 31.3027 176.0861 11 T 4.8542 6.7487 113.9328 62.2506 70.2915 172.8159 12 L 4.8064 8.0040 127.6162 53.7160 43.9639 175.6908 13 M 4.8175 8.5277 119.5140 54.0238 34.2094 173.6168 14 I 4.4335 8.6178 125.9406 58.8846 41.6816 171.3758 15 G 4.0688 8.9538 116.1522 44.8764 0.0000 174.5397 16 D 4.5022 8.3135 115.1053 53.4823 44.7352 175.8816 17 E 5.9800 7.1813 131.9521 57.7092 29.8772 175.3394 18 V 4.8029 7.3342 114.2012 63.0844 36.1481 177.1599 19 T 4.8930 7.0934 121.9768 62.9267 72.4626 172.1646 20 V 4.5470 8.0808 127.9721 61.2612 34.5595 173.9817 21 T 4.5550 8.4774 123.5459 60.0924 68.7448 175.3162 22 V 3.9661 8.5801 126.7004 64.5613 28.9232 177.4007 23 L 3.0398 7.2127 123.1854 54.6521 44.0231 177.6677 24 G 4.1481 8.3852 109.7177 45.4688 0.0000 173.7590 25 V 3.8932 7.2251 118.1808 61.1254 32.3475 174.8008 26 K 4.3093 8.1424 127.3437 55.8232 36.0871 176.7768 27 G 3.9382 9.1698 111.1580 47.4477 0.0000 174.3448 28 N 4.5266 9.5289 116.9814 54.6122 39.8543 175.0378 29 Q 4.4763 7.7893 117.5381 54.0418 30.7974 174.5642 30 V 3.9089 8.1493 124.8503 61.3605 31.7467 175.7228 31 R 4.0592 8.4072 128.6404 56.0229 29.0233 175.0435 32 I 4.1672 8.1425 126.5017 60.3839 38.7072 175.5793 33 G 4.0203 8.6340 113.9176 44.5178 0.0000 172.4529 34 V 4.2737 8.4861 126.0342 61.2406 33.4904 174.4158 35 N 4.8704 8.9414 128.5666 52.1007 39.7893 173.4591 36 A 5.0689 8.2637 127.2697 49.5539 22.4245 173.6109 37 P 4.5096 0.0000 0.0000 61.9052 32.9629 175.6382 38 K 4.4949 8.3694 118.2420 57.0088 32.7898 177.7606 39 E 4.2786 8.2709 120.6369 57.6581 30.6655 176.2147 40 V 3.9661 7.3498 116.0935 61.2545 32.6639 175.1967 41 S 4.1371 8.5062 118.6547 58.6328 61.1385 173.2182 42 V 4.3911 8.1037 126.2774 59.6795 33.1658 174.7713 43 H 4.9754 8.7572 123.8937 54.2901 32.2004 172.5732 44 R 4.5500 8.2047 123.3004 53.6808 34.3763 174.4147 45 E 3.8511 8.3484 118.4409 56.7199 30.7434 176.6128 46 E 3.9336 8.8706 126.4196 59.9493 29.7636 179.2670 47 I 3.6914 7.8358 117.5362 65.0119 38.1267 176.5677 48 Y 4.0548 8.5663 116.3143 62.2567 37.6272 178.6797 49 Q 4.2233 8.6056 117.9800 59.0651 29.0134 178.6212 50 R 4.4283 8.6238 121.9703 57.6668 29.7963 177.8697 51 I 4.3323 7.5486 110.4873 60.8782 38.9983 176.2768 52 Q 4.3335 7.5248 118.3671 58.4374 30.1970 176.0781 53 A 4.0424 8.0277 122.0757 52.9371 19.3219 176.2889 54 E 4.6056 9.0673 111.4748 53.3519 32.0627 176.1368 55 K 4.3119 8.5715 123.1478 56.8891 31.2601 176.2582 56 S 4.2245 9.1302 121.5602 61.4122 61.8172 174.4181 57 Q 4.4096 7.0150 117.8034 54.6077 32.9791 174.1742 58 Q 4.5941 7.2821 115.3767 56.2064 30.6485 172.9006 59 S 4.6187 8.3421 111.7372 56.8158 65.9112 173.1907 60 S 4.6600 8.5205 116.7992 57.1767 63.1207 173.3811 61 Y 4.0752 8.3804 127.6975 58.1512 38.3719 173.8022 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 M 8.30 4.40 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 L 8.41 4.32 0.00 1.65 1.57 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 3 I 9.13 4.24 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 1.41 0.84 0.91 0.00 0.00 4 L 8.13 4.77 0.00 1.62 1.53 0.92 0.95 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 5 T 8.40 4.03 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 6 R 7.44 4.60 0.00 1.72 1.74 0.00 3.58 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 7 R 7.69 5.06 0.00 1.80 1.80 0.00 3.37 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 8 V 8.28 4.27 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 0.71 0.00 0.00 0.93 0.00 0.00 9 G 7.35 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.22 4.18 0.00 1.94 1.92 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 2.29 2.30 0.00 11 T 6.75 4.85 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 12 L 8.00 4.81 0.00 1.71 1.91 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.53 4.82 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 14 I 8.62 4.43 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 1.35 1.32 0.91 0.00 0.00 15 G 8.95 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.31 4.50 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.18 5.98 0.00 2.19 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 2.04 2.05 0.00 18 V 7.33 4.80 2.09 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 0.93 0.00 0.00 1.00 0.00 0.00 19 T 7.09 4.89 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 20 V 8.08 4.55 2.09 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 1.08 0.00 0.00 0.94 0.00 0.00 21 T 8.48 4.56 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 1.28 0.00 0.00 22 V 8.58 3.97 2.09 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 0.68 0.00 0.00 0.94 0.00 0.00 23 L 7.21 3.04 0.00 1.79 1.61 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.39 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.23 3.89 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 0.75 0.00 0.00 0.99 0.00 0.00 26 K 8.14 4.31 0.00 1.73 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.27 7.81 27 G 9.17 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 28 N 9.53 4.53 0.00 2.73 2.88 0.00 0.00 6.62 7.69 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 29 Q 7.79 4.48 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 30 V 8.15 3.91 2.09 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 0.96 0.00 0.00 1.01 0.00 0.00 31 R 8.41 4.06 0.00 1.78 1.85 0.00 3.29 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 32 I 8.14 4.17 1.90 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 1.51 0.98 0.93 0.00 0.00 33 G 8.63 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 0.00 0.00 0.00 34 V 8.49 4.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 35 N 8.94 4.87 0.00 2.81 2.80 0.00 0.00 6.54 8.06 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 36 A 8.26 5.07 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 37 P 0.00 4.51 0.00 2.09 2.06 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.22 0.00 38 K 8.37 4.49 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.41 7.81 39 E 8.27 4.28 0.00 1.91 1.95 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 2.21 2.27 0.00 40 V 7.35 3.97 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 0.91 0.00 0.00 0.93 0.00 0.00 41 S 8.51 4.14 0.00 3.86 3.81 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 42 V 8.10 4.39 2.09 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 0.79 0.00 0.00 0.95 0.00 0.00 43 H 8.76 4.98 0.00 3.06 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.20 4.55 0.00 1.82 1.81 0.00 3.30 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 45 E 8.35 3.85 0.00 1.19 1.44 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 2.24 2.22 0.00 46 E 8.87 3.93 0.00 2.05 2.02 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 2.43 2.39 0.00 47 I 7.84 3.69 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.28 1.12 0.00 0.00 48 Y 8.57 4.05 0.00 3.15 2.98 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 0.00 0.00 0.00 49 Q 8.61 4.22 0.00 2.32 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 50 R 8.62 4.43 0.00 2.09 2.05 0.00 3.11 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 51 I 7.55 4.33 1.82 0.00 0.00 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 1.69 0.63 0.96 0.00 0.00 52 Q 7.52 4.33 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 53 A 8.03 4.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 4.61 0.00 2.01 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 2.21 2.24 0.00 55 K 8.57 4.31 0.00 1.86 1.87 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.37 7.81 56 S 9.13 4.22 0.00 3.95 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 0.00 57 Q 7.01 4.41 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 58 Q 7.28 4.59 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.54 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 59 S 8.34 4.62 0.00 3.97 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 60 S 8.52 4.66 0.00 3.87 3.84 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 0.00 0.00 0.00 61 Y 8.38 4.08 0.00 2.88 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