NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0132 8.0544 120.3924 62.6738 32.7143 174.0693 2 K 4.6004 8.1370 124.7037 54.2772 35.4595 174.1573 3 L 4.5260 8.8785 116.9401 54.7594 43.3323 172.8824 4 I 3.1655 7.5896 126.0197 59.5008 37.3709 172.4122 5 P 4.3614 0.0000 0.0000 62.4649 31.6458 178.0854 6 S 4.4113 8.3177 117.4267 58.6048 65.7628 173.1714 7 W 4.3807 8.5175 120.5485 58.4576 28.0927 178.0134 8 T 4.0954 8.3683 111.7715 66.0277 68.2126 175.9152 9 T 3.9563 8.0123 118.0947 66.6956 68.3855 176.6280 10 V 3.4095 7.7556 113.6054 64.7874 31.5879 178.7051 11 I 4.0449 7.6623 118.4711 63.5693 36.9856 178.4318 12 L 3.9648 8.6611 121.0260 57.8729 41.3130 179.5977 13 V 3.5855 7.6717 116.2738 65.6933 31.8665 177.4954 14 K 4.0721 7.9106 119.3751 59.6147 31.8856 178.6652 15 S 4.1535 8.1155 112.2797 61.8012 62.3111 175.7097 16 M 4.0269 7.6865 120.5050 57.7872 32.7776 178.1968 17 L 4.2853 7.5367 119.6831 54.5995 38.7368 176.1759 18 R 3.9978 7.7225 119.3359 56.6338 30.6710 176.4651 19 K 4.4146 7.5733 117.8144 56.6496 34.8927 176.2022 20 R 4.5826 8.1328 115.7031 56.2110 31.7630 174.2585 21 S 4.9068 7.9379 111.8388 56.0344 65.8971 172.7248 22 F 4.4413 8.4846 121.5922 57.5922 42.2208 174.6215 23 G 4.0927 9.2616 112.4647 45.7879 0.0000 172.5289 24 N 4.9976 8.0750 118.3325 50.3419 41.3886 173.1966 25 P 4.2997 0.0000 0.0000 65.0712 31.9717 176.3381 26 F 4.2181 8.5902 120.9862 57.6530 39.0961 175.1598 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 8.05 4.01 2.08 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 0.95 0.00 0.00 0.93 0.00 0.00 2 K 8.14 4.60 0.00 1.76 1.67 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.54 7.81 3 L 8.88 4.53 0.00 1.57 1.50 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.59 3.17 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.51 0.82 0.00 0.00 5 P 0.00 4.36 0.00 2.13 2.03 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 6 S 8.32 4.41 0.00 4.14 4.12 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 0.00 0.00 0.00 0.00 7 W 8.52 4.38 0.00 3.57 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.10 4.42 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 1.29 0.00 0.00 9 T 8.01 3.96 4.47 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 1.23 0.00 0.00 10 V 7.76 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 0.90 0.00 0.00 1.11 0.00 0.00 11 I 7.66 4.04 2.24 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.04 1.04 0.00 0.00 12 L 8.66 3.96 0.00 1.92 1.70 0.94 0.32 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 13 V 7.67 3.59 2.09 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 0.79 0.00 0.00 0.94 0.00 0.00 14 K 7.91 4.07 0.00 1.96 1.84 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 15 S 8.12 4.15 0.00 4.26 4.02 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 16 M 7.69 4.03 0.00 1.81 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 17 L 7.54 4.29 0.00 1.78 1.62 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.72 4.00 0.00 1.89 1.68 0.00 3.17 0.00 0.00 3.16 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 19 K 7.57 4.41 0.00 1.67 1.50 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.32 7.81 20 R 8.13 4.58 0.00 1.74 1.80 0.00 3.42 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 21 S 7.94 4.91 0.00 3.85 3.77 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 22 F 8.48 4.44 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.26 4.09 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 0.00 0.00 0.00 24 N 8.08 5.00 0.00 2.18 2.17 0.00 0.00 6.88 7.91 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 25 P 0.00 4.30 0.00 2.25 2.22 0.00 3.99 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 26 F 8.59 4.22 0.00 3.02 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00