NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3941 8.1814 116.7949 58.4791 64.9884 175.3717 2 G 3.4995 7.1458 109.2968 48.0926 0.0000 173.7002 3 G 3.8338 8.3669 111.0181 47.6943 0.0000 172.8951 4 G 3.5900 7.5581 110.5525 47.6745 0.0000 175.6660 5 G 3.5775 8.0309 105.3205 47.0155 0.0000 175.3521 6 V 3.5460 7.7545 121.2985 65.5718 31.7501 177.8223 7 D 4.3561 7.8674 118.1884 57.5146 40.6938 179.1331 8 V 3.7434 7.8825 118.6647 65.7362 31.5199 178.2704 9 G 3.6299 8.0247 105.7402 47.9529 0.0000 175.4062 10 D 4.4016 8.1025 121.3672 56.8879 40.6795 179.0064 11 V 3.5635 7.6613 118.8783 66.0630 31.5297 178.0181 12 V 3.5718 7.7439 117.8015 66.3141 31.2805 178.0890 13 S 4.3632 8.3415 115.5674 61.0009 62.6563 176.8024 14 A 3.9985 8.4141 123.8257 55.1089 18.2573 179.7898 15 I 3.6676 8.0795 118.9105 64.6564 37.0764 178.7605 16 Q 4.2128 8.2577 118.2598 58.5781 28.5269 178.6938 17 G 3.5694 7.9034 107.9715 47.8534 0.0000 175.8034 18 A 4.0954 8.0541 122.0235 54.2277 18.6270 179.1579 19 A 4.1993 7.9991 119.2206 54.3399 18.4059 179.7826 20 G 3.6554 7.9294 105.0159 47.8961 0.0000 174.1445 21 P 4.3450 0.0000 0.0000 64.9042 29.9402 178.8192 22 I 3.7126 7.6887 118.7890 64.3301 37.1501 178.2703 23 A 4.1889 8.0986 121.2164 54.7215 18.1417 179.5338 24 A 3.9769 7.3727 117.3249 55.4166 18.4419 179.8462 25 I 3.8054 7.6789 118.0995 64.2652 37.0730 178.8189 26 G 3.7443 7.9902 106.5791 47.7068 0.0000 175.9837 27 G 3.5635 7.9604 107.6347 47.5305 0.0000 175.4739 28 A 4.0419 8.0373 123.8516 54.7587 18.3096 179.9176 29 V 3.6374 8.4435 117.1361 66.0674 31.5638 178.3154 30 L 4.0288 7.9594 119.1997 57.6950 40.8742 179.4194 31 T 3.8472 7.8416 109.6786 64.8807 68.5180 176.6912 32 V 3.5802 7.4448 120.0021 65.7902 31.1415 177.6271 33 M 4.0614 8.1730 118.7499 58.6809 31.9134 179.3624 34 V 3.8958 7.9713 118.9391 64.3072 31.4944 178.6974 35 G 3.6430 7.7258 106.1085 47.8496 0.0000 175.8467 36 I 4.1119 8.0994 116.2793 63.1652 37.5312 177.6958 37 K 3.9994 7.8287 120.1113 58.1199 32.1392 178.8679 38 V 4.0298 8.0821 119.7494 64.9430 31.1224 177.7709 39 Y 4.2143 7.8131 119.0870 60.3984 38.2019 177.5669 40 K 3.3431 7.3606 120.7893 59.0517 32.2408 178.9165 41 W 4.1947 8.6981 119.5295 59.1874 28.7167 178.9094 42 V 3.6694 7.7558 118.1400 66.0596 31.1973 178.1709 43 R 4.0687 7.7677 114.0844 58.8287 29.1166 178.6016 44 R 3.9816 7.3760 118.5004 59.0921 30.3086 178.2171 45 A 4.3701 8.3642 118.3871 55.9687 20.0380 177.0418 46 M 3.7540 7.4356 126.3243 56.8041 31.7650 177.0775 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 S 8.18 4.39 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 G 7.15 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 3.83 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 0.00 0.00 0.00 4 G 7.56 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.55 2.30 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 1.02 0.00 0.00 0.99 0.00 0.00 7 D 7.87 4.36 0.00 2.99 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 8 V 7.88 3.74 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 1.01 0.00 0.00 0.93 0.00 0.00 9 G 8.02 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.10 4.40 0.00 2.97 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 11 V 7.66 3.56 2.25 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 1.08 0.00 0.00 0.98 0.00 0.00 12 V 7.74 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 13 S 8.34 4.36 0.00 3.94 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 14 A 8.41 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.08 3.67 2.07 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 1.58 0.98 0.91 0.00 0.00 16 Q 8.26 4.21 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.70 0.00 17 G 7.90 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 18 A 8.05 4.10 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.00 4.20 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 G 7.93 3.66 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 21 P 0.00 4.35 0.00 2.17 2.12 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 22 I 7.69 3.71 1.95 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 1.46 0.72 0.94 0.00 0.00 23 A 8.10 4.19 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 24 A 7.37 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 25 I 7.68 3.81 1.97 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 1.46 0.84 0.92 0.00 0.00 26 G 7.99 3.74 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 0.00 0.00 0.00 27 G 7.96 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.04 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 29 V 8.44 3.64 2.29 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 1.03 0.00 0.00 1.00 0.00 0.00 30 L 7.96 4.03 0.00 1.99 1.72 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.84 3.85 4.25 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 1.28 0.00 0.00 32 V 7.44 3.58 2.22 0.00 0.00 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 0.94 0.00 0.00 33 M 8.17 4.06 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 34 V 7.97 3.90 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 0.96 0.00 0.00 0.98 0.00 0.00 35 G 7.73 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.10 4.11 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.31 1.04 0.00 0.00 37 K 7.83 4.00 0.00 1.88 1.92 0.00 1.45 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.51 1.17 7.81 38 V 8.08 4.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.01 0.00 0.00 39 Y 7.81 4.21 0.00 3.07 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.36 3.34 0.00 1.29 1.51 0.00 1.36 0.00 0.00 1.25 0.00 0.00 2.52 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.79 1.00 7.81 41 W 8.70 4.19 0.00 3.40 3.18 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 42 V 7.76 3.67 2.34 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 0.96 0.00 0.00 1.07 0.00 0.00 43 R 7.77 4.07 0.00 2.02 2.11 0.00 3.00 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 44 R 7.38 3.98 0.00 1.90 2.35 0.00 3.07 0.00 0.00 2.62 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 45 A 8.36 4.37 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 46 M 7.44 3.75 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00