NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7200 8.4249 118.2183 52.5236 39.3576 174.0145 3 Q 4.3006 7.7005 117.9468 55.7554 28.9261 175.7334 4 G 3.8262 8.8847 108.3182 47.1899 0.0000 174.7318 5 K 4.3886 7.7659 118.8481 56.1119 32.7151 178.0021 6 I 3.3690 7.5262 121.7418 63.7425 37.7870 177.1069 7 W 5.3253 7.7323 116.6227 56.6293 28.8888 176.7882 8 T 4.3482 7.9139 110.1662 62.4435 68.9458 175.9179 9 V 4.1955 7.7616 119.9775 61.4645 33.7359 175.7818 10 V 4.2435 7.9157 121.0919 60.6703 32.9769 174.0499 11 N 4.8596 8.7502 125.6408 52.8552 39.7484 173.9630 12 P 4.2627 0.0000 0.0000 65.4125 31.2628 178.1721 13 A 3.9605 8.0496 120.2098 54.4723 18.4559 178.8885 14 I 4.2256 7.5759 117.5722 63.7411 38.0444 178.4077 15 G 3.8862 8.5832 106.9628 47.6917 0.0000 175.9766 16 I 3.7345 7.9175 122.0971 63.9032 37.1495 176.7718 17 P 4.2243 0.0000 0.0000 65.4602 31.1671 178.4706 18 A 4.0702 8.2255 119.7167 54.9311 18.1807 179.5281 19 L 3.9299 8.1901 118.9520 58.4306 42.4347 179.1743 20 L 4.1034 8.2266 119.2561 57.8055 41.5641 179.8934 21 G 3.6284 8.6021 106.1118 47.8107 0.0000 176.0355 22 S 4.1664 8.2618 117.6576 61.3268 62.8415 176.9595 23 V 3.6029 8.0425 121.0470 66.3027 31.2162 178.1514 24 T 3.8925 7.8062 115.0525 66.7080 68.2221 176.7644 25 V 3.6220 7.9554 120.0718 65.9693 31.4436 178.0699 26 I 3.6847 8.1519 119.6658 64.2858 36.9893 178.0562 27 A 4.0732 8.3661 121.9336 55.4951 18.2054 179.7446 28 I 3.7508 8.1724 118.5173 64.4860 37.0589 178.7482 29 L 4.0105 8.2492 120.0438 57.7304 41.3955 179.6733 30 V 3.5871 8.1227 118.4208 66.3678 31.4760 177.5414 31 H 4.2503 8.3967 115.8679 59.2846 28.7374 177.8144 32 L 4.0272 8.3322 120.3033 57.3565 41.1564 179.4902 33 A 4.0127 8.1051 120.4746 55.3605 18.8381 179.4543 34 I 3.7237 8.0709 118.6994 64.3372 36.9060 178.3288 35 L 3.5225 7.9318 120.6338 57.4822 41.9027 178.3168 36 S 4.5153 7.5282 110.7675 58.6874 63.5609 174.1129 37 H 4.8435 7.6327 118.0495 55.3999 29.8705 172.7473 38 T 4.5781 7.4093 108.6701 59.4849 71.7495 174.1072 39 T 4.2347 8.1272 111.6856 63.1138 69.3985 176.7067 40 W 4.5089 7.7529 118.9724 58.6184 28.4248 178.2952 41 F 4.3312 7.1944 122.0612 60.9025 38.7185 175.3471 42 P 4.0149 0.0000 0.0000 65.4627 31.1719 178.4953 43 A 4.0766 8.2197 119.6997 55.0325 18.0139 178.9333 44 Y 4.3868 8.3199 117.8261 61.0860 38.9915 178.3481 45 W 4.4171 7.8628 118.5507 59.7619 29.2137 178.0596 46 Q 4.1465 8.4411 119.3646 59.0322 29.1676 177.7067 47 G 3.7325 9.1868 108.9211 46.5492 0.0000 174.8111 48 G 4.0412 8.9281 107.2856 45.9921 0.0000 174.9529 49 V 4.1116 7.2331 119.6733 60.0855 31.5334 177.5173 50 K 4.2791 8.7168 130.8749 57.1614 31.2033 176.9844 51 K 4.1644 9.6773 133.8791 56.4203 35.8689 177.9165 52 A 3.5927 9.1539 118.6176 51.7234 17.8622 176.6108 53 A 4.0454 7.6244 122.0505 52.7450 19.2612 177.2272 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 2 N 8.42 4.72 0.00 2.84 3.00 0.00 0.00 6.02 6.50 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 3 Q 7.70 4.30 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 4 G 8.88 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 5 K 7.77 4.39 0.00 1.80 1.80 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.43 7.81 6 I 7.53 3.37 1.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.51 -0.28 0.00 0.00 7 W 7.73 5.33 0.00 3.40 3.24 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 0.00 8 T 7.91 4.35 4.26 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 0.00 0.00 1.25 0.00 0.00 9 V 7.76 4.20 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 0.71 0.00 0.00 0.90 0.00 0.00 10 V 7.92 4.24 1.96 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 1.05 0.00 0.00 0.82 0.00 0.00 11 N 8.75 4.86 0.00 2.86 2.77 0.00 0.00 6.97 7.71 0.00 0.00 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 P 0.00 4.26 0.00 1.89 1.25 0.00 3.81 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 13 A 8.05 3.96 1.41 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 0.00 0.00 0.00 14 I 7.58 4.23 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.17 0.95 0.00 0.00 15 G 8.58 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 0.00 0.00 0.00 16 I 7.92 3.73 1.82 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.40 0.81 0.00 0.00 17 P 0.00 4.22 0.00 2.17 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 18 A 8.23 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.93 0.00 1.99 1.96 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.23 4.10 0.00 1.74 1.72 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.60 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 22 S 8.26 4.17 0.00 4.10 3.95 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 0.00 0.00 0.00 23 V 8.04 3.60 2.11 0.00 0.00 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 1.01 0.00 0.00 24 T 7.81 3.89 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 1.23 0.00 0.00 25 V 7.96 3.62 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 1.13 0.00 0.00 0.99 0.00 0.00 26 I 8.15 3.68 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.94 0.00 0.00 27 A 8.37 4.07 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 0.00 0.00 0.00 0.00 0.00 28 I 8.17 3.75 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.95 0.00 0.00 29 L 8.25 4.01 0.00 1.87 1.74 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.12 3.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 31 H 8.40 4.25 0.00 3.56 3.57 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.33 4.03 0.00 1.86 1.73 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.11 4.01 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 34 I 8.07 3.72 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.18 0.59 0.00 0.00 35 L 7.93 3.52 0.00 1.23 1.70 -0.60 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.53 4.52 0.00 3.93 3.85 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 0.00 0.00 0.00 37 H 7.63 4.84 0.00 3.19 3.23 0.00 5.60 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.41 4.58 3.19 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 0.80 0.00 0.00 39 T 8.13 4.23 4.28 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 0.00 0.00 0.00 1.22 0.00 0.00 40 W 7.75 4.51 0.00 3.48 3.33 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 41 F 7.19 4.33 0.00 2.10 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.01 0.00 2.16 2.01 0.00 3.66 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 43 A 8.22 4.08 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 4.39 0.00 3.15 3.46 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 0.00 45 W 7.86 4.42 0.00 3.53 3.05 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 46 Q 8.44 4.15 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.81 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 G 9.19 3.73 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 0.00 0.00 0.00 48 G 8.93 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.23 4.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 50 K 8.72 4.28 0.00 1.78 1.41 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.39 7.81 51 K 9.68 4.16 0.00 1.88 1.99 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.32 7.81 52 A 9.15 3.59 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 53 A 7.62 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00