NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 D 4.6061 8.3649 120.3165 53.0905 40.5079 174.8280 -2 S 4.0807 8.5938 114.7145 59.1691 63.5528 172.4876 -1 K 4.2898 8.6465 121.3872 57.1130 32.8550 178.1892 -2 L 3.9507 8.4438 120.8145 55.9691 42.1528 175.4876 -1 C 4.5198 8.6765 119.5872 59.1130 27.7550 176.1892 3 Y 4.0840 7.8925 120.4493 60.3303 38.3216 177.7997 4 L 3.9572 7.7985 121.1130 57.7882 42.3677 178.5780 5 L 3.9401 7.7947 118.4408 58.0597 41.6328 179.0896 6 D 4.4858 8.0784 118.3873 57.0624 40.6600 178.8729 7 G 3.5010 7.6018 105.7691 47.8378 0.0000 175.7389 8 I 3.7442 7.5947 122.7214 63.9508 37.2074 178.4891 9 L 4.0133 7.9489 119.6947 57.7954 41.5532 179.3920 10 F 3.9699 8.8616 120.7822 61.5225 39.3606 177.0581 11 I 3.7545 8.3779 119.7974 64.6928 36.8699 177.7289 12 Y 4.0540 8.5982 120.8073 60.6412 38.5164 178.4747 13 G 3.4692 8.0503 106.6662 47.5966 0.0000 175.9280 14 V 3.4081 7.3379 120.3274 65.7972 31.6401 178.2883 15 I 3.6123 7.7234 119.7202 64.2148 37.0423 178.2603 16 L 3.7507 7.8141 121.6105 58.3283 41.7951 179.1754 17 T 3.8871 8.0906 115.8420 66.2863 68.2799 176.5075 18 A 4.0054 8.1223 122.8561 55.3508 18.4836 179.7074 19 L 3.9911 7.7444 116.9343 57.6962 41.5596 179.6261 20 F 4.0311 8.0492 120.1967 61.3931 39.4420 177.2632 21 L 3.9836 8.3112 118.7091 57.6843 41.1925 179.3586 22 R 3.9483 8.2052 118.2443 59.6752 30.0766 178.4903 23 V 3.6678 7.6027 116.6990 65.4555 31.5328 177.3551 24 K 3.5948 7.5272 118.9899 57.7054 32.2132 176.6562 25 F 4.6323 7.4408 117.9324 55.7203 40.1404 177.0848 26 S 4.1919 8.8038 122.2423 61.6026 62.8275 175.8380 27 R 3.9228 8.3076 119.0696 57.7719 29.2319 177.2444 28 S 3.6964 8.2899 109.2733 58.8367 61.5218 173.8186 29 A 4.1475 7.5741 122.6819 54.6070 18.3515 178.1311 30 D 4.1564 7.4077 116.2028 54.9210 41.5867 174.7463 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 -3 D 8.36 4.61 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.08 0.00 3.97 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 -1 K 8.65 4.29 0.00 1.83 1.81 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.40 7.81 -2 L 8.44 3.95 0.00 1.70 1.61 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 -1 C 8.68 4.52 0.00 2.92 2.99 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 3 Y 7.89 4.08 0.00 3.11 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 4 L 7.80 3.96 0.00 1.85 1.83 0.93 0.69 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 5 L 7.79 3.94 0.00 1.83 1.69 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.08 4.49 0.00 2.49 2.63 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 7 G 7.60 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 8 I 7.59 3.74 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 1.54 0.79 0.92 0.00 0.00 9 L 7.95 4.01 0.00 1.75 1.75 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.86 3.97 0.00 3.18 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 11 I 8.38 3.75 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 0.95 0.00 0.00 12 Y 8.60 4.05 0.00 3.13 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 13 G 8.05 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.34 3.41 2.10 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 1.06 0.00 0.00 0.66 0.00 0.00 15 I 7.72 3.61 1.67 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.83 0.00 0.00 16 L 7.81 3.75 0.00 0.86 1.33 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.09 3.89 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 1.20 0.00 0.00 18 A 8.12 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 19 L 7.74 3.99 0.00 1.84 1.73 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.05 4.03 0.00 3.17 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 21 L 8.31 3.98 0.00 1.84 1.91 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.21 3.95 0.00 1.90 2.09 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 23 V 7.60 3.67 1.98 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 0.68 0.00 0.00 0.93 0.00 0.00 24 K 7.53 3.59 0.00 1.28 1.49 0.00 1.66 0.00 0.00 1.23 0.00 0.00 2.72 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.62 1.05 7.81 25 F 7.44 4.63 0.00 3.13 2.94 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 26 S 8.80 4.19 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 3.92 0.00 1.85 1.99 0.00 3.45 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 28 S 8.29 3.70 0.00 3.96 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 29 A 7.57 4.15 1.25 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 0.00 0.00 0.00 30 D 7.41 4.16 0.00 2.54 2.39 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