NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4213 8.3644 120.1945 54.4459 42.6514 175.5828 2 D 4.1097 7.9769 118.3467 52.8064 39.0411 170.9980 3 T 4.0426 7.5323 112.2550 60.7271 70.5840 173.0631 4 P 4.5155 0.0000 0.0000 62.5093 33.0180 176.4659 5 S 4.4177 8.3378 111.3406 57.7815 60.6942 172.7869 6 S 4.9036 7.0525 118.1773 58.9670 66.1467 173.7664 7 R 4.1939 7.8932 117.0137 56.3553 32.2052 175.0138 8 C 4.5431 8.9550 122.3375 58.6059 40.1798 174.0445 9 G 3.9161 9.1786 114.3477 46.6743 0.0000 173.6946 10 S 4.7303 8.1745 113.6886 57.6829 64.6881 174.0753 11 G 4.2506 8.1949 108.4111 45.2519 0.0000 173.0046 12 G 3.7158 8.4106 111.5485 44.4219 0.0000 173.1677 13 W 4.9362 7.6905 121.1078 55.4761 30.1602 177.3528 14 G 4.1629 7.8648 109.0504 44.9762 0.0000 171.1256 15 P 4.3452 0.0000 0.0000 64.4529 31.5329 177.1861 16 C 5.0015 7.2909 110.9867 55.4490 43.0807 172.7637 17 L 5.1423 8.9967 126.4180 52.2274 45.4475 173.6149 18 P 4.7423 0.0000 0.0000 62.7374 32.0634 177.4146 19 I 3.6729 8.1182 124.6912 63.7567 37.2886 178.5631 20 V 3.6024 7.7188 118.9144 63.7285 31.0697 176.0803 21 D 4.7584 8.0260 117.4865 53.1312 42.1020 175.5480 22 L 4.0732 7.4445 120.0509 56.3948 42.4632 176.3028 23 L 4.6414 8.1951 120.6401 54.3754 43.8791 176.6866 24 C 4.8738 8.0168 114.7264 55.8475 42.3704 172.8801 25 I 4.2112 8.1341 118.6867 62.6042 39.1101 176.9139 26 V 4.1263 7.8268 117.3876 62.7952 31.2748 175.6277 27 H 4.6066 8.0988 114.3221 55.4428 28.7513 173.9680 28 V 3.9215 7.8360 118.0901 61.3491 33.6611 175.9010 29 T 4.6180 7.7703 115.1644 61.3823 69.1000 173.7260 30 V 4.1714 7.5337 120.6694 63.2798 33.7641 176.1154 31 G 3.8823 8.8680 114.1747 45.7093 0.0000 173.6909 32 C 4.7153 7.5562 116.3447 55.3408 43.8568 173.0355 33 S 4.5659 8.2625 115.9386 57.7621 63.2648 174.5557 34 G 4.0880 8.4555 111.6660 48.2120 0.0000 172.2658 35 G 3.2514 8.0020 114.7138 44.5987 0.0000 171.2302 36 F 4.9051 8.4976 119.7935 55.4952 42.4025 174.2833 37 G 4.6439 9.0388 113.3767 44.8210 0.0000 168.7571 38 C 5.4473 9.3150 112.9963 54.2302 43.7454 172.5133 39 C 5.8814 8.9388 120.4563 54.4809 47.3253 172.7386 40 R 3.5493 8.7508 120.3714 56.8001 29.3139 176.9295 41 I 4.0490 8.2147 124.5993 63.0131 37.8297 176.8109 42 G 3.6597 7.5284 111.6945 45.7881 0.0000 172.1147 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 D 8.36 4.42 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.11 0.00 2.90 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 3 T 7.53 4.04 4.22 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 0.00 0.00 0.00 1.32 0.00 0.00 4 P 0.00 4.52 0.00 2.26 2.19 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 5 S 8.34 4.42 0.00 3.86 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 6 S 7.05 4.90 0.00 3.91 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 4.19 0.00 1.77 1.73 0.00 3.17 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 8 C 8.96 4.54 0.00 3.04 3.39 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 9 G 9.18 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 0.00 0.00 0.00 10 S 8.17 4.73 0.00 3.90 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 0.00 0.00 0.00 0.00 12 G 8.41 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.69 4.94 0.00 3.43 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.86 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.20 2.20 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 C 7.29 5.00 0.00 2.79 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 17 L 9.00 5.14 0.00 1.75 1.73 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.74 0.00 2.19 2.45 0.00 3.87 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 19 I 8.12 3.67 1.75 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 0.84 0.85 0.00 0.00 20 V 7.72 3.60 2.01 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 0.82 0.00 0.00 0.91 0.00 0.00 21 D 8.03 4.76 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.44 4.07 0.00 1.70 1.53 0.95 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.20 4.64 0.00 1.58 1.60 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.02 4.87 0.00 3.07 3.09 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 25 I 8.13 4.21 1.89 0.00 0.00 0.87 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 0.61 0.92 0.00 0.00 26 V 7.83 4.13 2.19 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 0.87 0.00 0.00 0.98 0.00 0.00 27 H 8.10 4.61 0.00 3.61 3.42 0.00 5.54 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.84 3.92 0.67 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 0.40 0.00 0.00 -0.35 0.00 0.00 29 T 7.77 4.62 4.16 0.00 0.00 0.00 0.00 0.00 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 30 V 7.53 4.17 1.95 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 1.04 0.00 0.00 0.79 0.00 0.00 31 G 8.87 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 0.00 0.00 0.00 32 C 7.56 4.72 0.00 2.98 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 33 S 8.26 4.57 0.00 3.80 3.96 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 0.00 0.00 0.00 0.00 34 G 8.46 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 35 G 8.00 3.25 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 0.00 36 F 8.50 4.91 0.00 2.95 3.09 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 37 G 9.04 4.64 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 38 C 9.32 5.45 0.00 3.16 3.25 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 39 C 8.94 5.88 0.00 3.16 3.09 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 40 R 8.75 3.55 0.00 1.68 1.58 0.00 2.21 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.37 0.00 41 I 8.21 4.05 1.85 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 1.27 0.79 0.91 0.00 0.00 42 G 7.53 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