NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2460 8.3349 116.7845 59.1734 63.9149 173.5725 2 S 3.1186 8.2566 123.3757 59.0158 59.4736 170.9478 3 D 4.6863 8.0543 120.7172 52.7993 42.6667 177.2146 4 F 4.6104 9.2304 124.5359 56.4578 39.8498 174.6264 5 C 5.1114 8.5380 119.3587 56.6905 31.4956 172.9826 6 C 4.5028 9.3921 123.9647 57.8997 32.2604 172.2646 7 P 4.5851 0.0000 0.0000 63.0484 31.0825 177.0224 8 K 4.5148 7.9366 119.1782 57.6902 34.3599 174.6179 9 C 4.6621 7.5735 111.1011 57.3635 32.3873 174.7009 10 Q 4.2740 8.3833 119.7572 55.3048 26.7314 173.5222 11 Y 4.6926 8.0431 121.9078 55.8979 42.3327 172.9180 12 Q 4.9737 8.3549 125.3770 54.4269 30.3466 174.8188 13 A 4.4284 9.2800 127.9323 49.8732 20.2725 176.4349 14 P 4.5641 0.0000 0.0000 64.2022 32.2805 176.9590 15 D 4.9597 7.7838 118.0598 52.5152 44.2726 177.0060 16 M 3.1170 7.7634 121.6662 58.0093 32.2159 178.4643 17 D 4.2364 7.7620 118.8797 57.6680 41.0558 178.4598 18 T 3.8958 7.8475 115.6094 66.5529 68.4801 176.0365 19 L 4.0518 7.8171 122.0473 58.2623 42.2480 178.6204 20 Q 3.9345 7.9574 119.3274 59.3776 29.0701 178.4781 21 I 3.6656 7.7384 120.5048 64.7222 37.1984 177.8732 22 H 3.9759 8.5819 119.3375 59.3148 29.4531 177.4254 23 V 3.6680 8.1251 119.2021 66.2044 31.4409 177.4693 24 M 4.2191 7.7949 116.4446 57.2339 31.9684 177.7994 25 E 4.1702 7.6193 117.8663 58.0138 31.2499 177.3735 26 C 4.3125 8.0195 120.4306 58.4576 28.4228 173.3638 27 I 3.9968 7.2371 122.3784 63.4399 38.1251 176.5965 28 E 4.1345 8.0399 123.4570 56.5555 29.3107 176.4772 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 8.33 4.25 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.26 3.12 0.00 4.12 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 3 D 8.05 4.69 0.00 2.41 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 4 F 9.23 4.61 0.00 3.09 3.01 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 0.00 0.00 0.00 5 C 8.54 5.11 0.00 2.99 2.91 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 6 C 9.39 4.50 0.00 3.16 3.01 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 0.00 0.00 0.00 7 P 0.00 4.59 0.00 2.25 2.15 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 8 K 7.94 4.51 0.00 1.68 1.82 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.47 7.81 9 C 7.57 4.66 0.00 3.11 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 10 Q 8.38 4.27 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 11 Y 8.04 4.69 0.00 2.97 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 4.97 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.56 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 13 A 9.28 4.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.23 2.20 0.00 3.35 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 15 D 7.78 4.96 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.76 3.12 0.00 1.65 0.86 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 17 D 7.76 4.24 0.00 2.75 2.66 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 18 T 7.85 3.90 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 19 L 7.82 4.05 0.00 1.84 1.79 1.18 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.96 3.93 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 21 I 7.74 3.67 2.02 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 1.10 0.90 0.00 0.00 22 H 8.58 3.98 0.00 3.17 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.13 3.67 2.21 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 0.99 0.00 0.00 1.08 0.00 0.00 24 M 7.79 4.22 0.00 2.05 2.08 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 2.80 2.56 0.00 25 E 7.62 4.17 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 26 C 8.02 4.31 0.00 2.68 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 27 I 7.24 4.00 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 1.39 0.85 0.89 0.00 0.00 28 E 8.04 4.13 0.00 1.93 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 2.28 2.22 0.00