NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0111 8.0393 120.3904 62.6511 32.4980 178.7956 2 D 4.5555 9.2548 123.4451 50.8562 40.9691 174.9595 3 N 4.5957 8.8393 115.5172 54.7194 38.5714 176.4835 4 K 4.1563 7.6135 118.3983 58.4671 33.0386 177.9713 5 F 5.4666 8.4904 119.7237 57.0132 37.2861 176.0352 6 N 5.1344 7.8369 126.2549 51.9485 39.0131 177.5849 7 K 3.8362 9.2910 111.3158 58.8578 31.8661 177.1359 8 E 3.9652 9.6758 127.4276 60.4867 29.7245 177.7949 9 Q 4.0158 8.2463 120.8223 59.2954 28.9384 179.1054 10 Q 3.8777 8.4426 118.6473 58.9141 28.7394 178.0962 11 N 4.4953 8.3042 117.4142 56.6444 38.6633 177.1861 12 A 4.0021 8.5439 122.1580 55.0289 18.3897 179.2045 13 F 3.9391 8.3549 119.3086 61.7467 39.3325 176.8070 14 Y 4.1285 8.1147 116.2986 61.2893 37.5357 178.2092 15 E 3.9991 8.4029 119.0515 59.6265 29.8203 178.6997 16 I 3.6961 8.1621 120.0232 64.4242 36.9877 178.1583 17 L 3.7938 7.6640 119.2168 58.2865 41.5762 179.0665 18 H 4.4259 8.4519 117.2177 57.3920 29.7575 175.1301 19 L 3.8781 7.4563 121.2971 54.5596 41.3628 175.3758 20 P 4.5113 0.0000 0.0000 64.1807 31.9698 176.0012 21 N 5.0612 8.3628 117.3085 51.4954 37.4791 174.5063 22 L 4.6484 7.8650 119.8940 55.2401 44.9264 173.9903 23 N 5.1011 9.0036 121.7424 53.0620 45.2314 176.2166 24 E 4.6952 7.8003 123.4220 55.8356 30.0110 179.6043 25 E 3.9563 8.9373 115.1651 59.1039 29.2505 178.7136 26 Q 3.8049 8.4734 118.3127 58.8735 28.8155 178.2001 27 R 4.0374 8.3939 119.2450 59.7630 29.8901 177.7757 28 N 4.2856 8.3110 115.6396 56.3800 38.5712 177.0199 29 A 3.8530 8.1150 122.2059 55.2533 18.4113 179.6716 30 F 4.2983 8.0567 116.3883 60.8518 38.9522 177.7820 31 I 3.8948 8.1967 119.7843 64.5607 36.9266 178.0475 32 Q 4.0013 8.4051 120.4432 59.4515 28.9016 178.4934 33 S 4.1291 8.5143 114.3791 61.4242 62.2204 175.9638 34 L 4.2168 8.4310 121.1019 57.7686 41.4508 179.2143 35 K 4.0210 8.3878 118.8938 59.4209 32.2815 178.1611 36 D 4.4653 8.0928 117.6748 55.1983 41.5741 176.3849 37 D 4.7606 7.9269 118.7289 51.7929 42.0675 173.0809 38 P 4.3039 0.0000 0.0000 63.3595 31.6491 176.5014 39 S 4.6366 8.0356 115.8374 58.3248 64.9422 176.6139 40 Q 4.1297 8.1840 119.9929 58.9002 28.3918 178.0619 41 S 4.2482 8.8166 116.3813 61.7360 62.8107 176.7027 42 A 4.0083 7.7414 122.0563 55.1811 18.0566 179.4296 43 N 4.3209 8.2973 115.0365 56.5069 38.6356 177.6726 44 L 4.1826 7.8670 119.5531 57.0816 41.6284 179.2711 45 L 3.5981 8.0224 120.8983 58.0264 42.0578 178.5585 46 A 3.9287 7.9867 120.6991 55.2068 18.1262 179.5097 47 E 3.8525 8.2080 116.6720 59.5239 29.5452 179.1399 48 A 3.5716 7.4501 121.1133 54.9635 18.1031 179.5582 49 K 3.7589 8.0359 118.1293 59.7162 32.2895 179.2557 50 K 4.0102 8.2301 118.6641 59.0677 31.7894 179.5084 51 L 3.9832 8.1728 120.0396 57.6610 41.5322 178.5314 52 N 4.2197 8.2793 117.2607 57.1892 38.3155 176.4534 53 D 4.5619 8.5183 120.9956 56.7025 40.6495 178.6117 54 A 4.0573 8.0517 121.0183 55.0920 18.4519 179.4997 55 Q 4.0408 8.1473 114.7626 57.3509 29.3317 177.0836 56 A 4.7009 8.3835 121.0905 50.3180 18.2053 178.4986 57 P 4.4752 0.0000 0.0000 62.3751 31.1098 176.5699 58 K 4.3699 8.3385 121.6322 56.3919 32.7577 177.0603 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 V 8.04 4.01 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 0.96 0.00 0.00 0.54 0.00 0.00 2 D 9.25 4.56 0.00 3.02 2.90 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 3 N 8.84 4.60 0.00 2.83 2.97 0.00 0.00 5.70 7.08 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 4 K 7.61 4.16 0.00 1.57 1.68 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.53 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.05 1.17 7.81 5 F 8.49 5.47 0.00 2.87 2.68 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 6 N 7.84 5.13 0.00 2.90 2.46 0.00 0.00 6.50 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.29 3.84 0.00 1.85 1.43 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.57 7.81 8 E 9.68 3.97 0.00 2.19 2.26 0.00 0.00 0.00 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 2.36 0.00 9 Q 8.25 4.02 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 10 Q 8.44 3.88 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 5.24 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 11 N 8.30 4.50 0.00 2.96 2.96 0.00 0.00 7.31 8.04 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 12 A 8.54 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.35 3.94 0.00 3.11 2.92 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 14 Y 8.11 4.13 0.00 3.30 2.92 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 15 E 8.40 4.00 0.00 2.18 2.00 0.00 0.00 0.00 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 2.52 0.00 16 I 8.16 3.70 1.90 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 1.37 0.39 0.75 0.00 0.00 17 L 7.66 3.79 0.00 1.60 1.64 0.52 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.45 4.43 0.00 3.09 3.51 0.00 5.76 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.46 3.88 0.00 1.66 1.77 0.84 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.51 0.00 2.14 2.11 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 21 N 8.36 5.06 0.00 2.77 2.84 0.00 0.00 6.62 7.34 0.00 0.00 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 L 7.86 4.65 0.00 1.57 1.53 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.00 5.10 0.00 2.63 2.74 0.00 0.00 7.30 8.08 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 24 E 7.80 4.70 0.00 2.20 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 25 E 8.94 3.96 0.00 2.06 2.01 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 2.39 2.44 0.00 26 Q 8.47 3.80 0.00 2.36 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.16 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 27 R 8.39 4.04 0.00 1.91 2.22 0.00 3.17 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 28 N 8.31 4.29 0.00 2.94 2.84 0.00 0.00 7.12 7.21 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 29 A 8.12 3.85 0.98 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 0.00 0.00 30 F 8.06 4.30 0.00 3.23 3.09 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 31 I 8.20 3.89 2.09 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 1.43 0.85 1.09 0.00 0.00 32 Q 8.41 4.00 0.00 2.16 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.17 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 33 S 8.51 4.13 0.00 3.93 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 34 L 8.43 4.22 0.00 2.18 2.08 1.13 1.16 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 35 K 8.39 4.02 0.00 2.08 2.14 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.55 7.81 36 D 8.09 4.47 0.00 2.69 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 37 D 7.93 4.76 0.00 2.58 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.21 1.95 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 39 S 8.04 4.64 0.00 3.91 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 40 Q 8.18 4.13 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 41 S 8.82 4.25 0.00 3.92 4.05 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 0.00 0.00 0.00 42 A 7.74 4.01 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 43 N 8.30 4.32 0.00 2.90 2.90 0.00 0.00 7.27 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.87 4.18 0.00 1.97 2.01 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.02 3.60 0.00 1.71 1.78 0.92 1.32 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 46 A 7.99 3.93 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 47 E 8.21 3.85 0.00 2.20 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 0.00 2.52 2.55 0.00 48 A 7.45 3.57 0.02 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 49 K 8.04 3.76 0.00 1.76 1.91 0.00 1.48 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.49 7.81 50 K 8.23 4.01 0.00 1.91 1.84 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.62 7.81 51 L 8.17 3.98 0.00 1.95 1.96 1.29 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.28 4.22 0.00 2.78 3.06 0.00 0.00 7.26 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.52 4.56 0.00 2.82 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 54 A 8.05 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.04 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 56 A 8.38 4.70 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 57 P 0.00 4.48 0.00 2.22 2.23 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 58 K 8.34 4.37 0.00 1.89 1.95 0.00 1.21 0.00 0.00 2.40 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.39 7.81