NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.8823 7.9800 114.6193 61.7509 69.7937 175.6060 3 K 3.7502 7.9001 122.2094 59.4438 32.1562 177.0743 4 Q 4.0149 8.7133 119.1917 58.7164 29.0767 177.9545 5 E 3.3199 7.6276 119.1328 59.1752 29.5222 179.2042 6 K 3.9490 7.7989 118.3786 59.8047 32.1007 179.5500 7 T 3.8443 7.7649 115.3462 66.7318 68.2736 176.7397 8 I 3.7902 8.3906 121.9585 64.3699 36.9993 178.2944 9 L 4.2430 8.6590 121.2545 58.5787 42.1077 178.8411 10 N 4.4132 8.7701 116.7915 56.4447 38.4554 177.2624 11 M 4.2822 8.2882 119.7901 57.7430 31.8899 178.4511 12 A 4.1081 7.9095 121.0666 54.5820 18.3816 179.6148 13 R 3.3926 7.6450 117.5979 59.1672 30.0589 178.4115 14 F 4.2697 8.2522 120.5623 61.2991 39.4068 177.1694 15 I 3.7565 7.9088 120.8993 63.7501 36.4154 178.1709 16 R 3.8552 7.5703 119.2766 59.5729 29.7690 178.5389 17 S 4.0488 7.5382 112.7694 61.3338 62.0652 176.1680 18 Q 3.7848 7.8856 120.8292 58.5003 28.3262 178.4969 19 A 4.0136 8.4088 122.4138 55.1855 18.4173 179.7103 20 L 3.9803 7.6377 116.8226 57.9430 41.6122 179.7902 21 T 3.8559 7.8348 115.9881 66.6764 68.2558 176.7658 22 I 3.7527 7.7672 121.8231 64.0621 37.0470 178.1843 23 L 3.9140 7.7905 121.3614 58.0306 41.7814 179.0333 24 E 3.9207 8.1458 118.5168 59.4909 29.4985 179.4772 25 K 4.1297 7.8755 117.8860 59.3198 31.9414 179.3782 26 A 3.9848 8.2882 121.4312 55.1215 18.3146 179.4075 27 N 4.2418 8.2195 115.0617 56.4141 38.3934 177.3719 28 E 3.9195 8.2111 118.9953 59.5793 29.8054 179.2878 29 L 4.0621 7.8460 116.1183 54.9331 42.3962 176.1133 30 D 4.3120 7.8030 117.0079 55.7636 39.6509 175.8126 31 A 4.5675 8.3913 123.0935 50.0971 18.2674 176.2982 32 D 4.3086 8.2283 123.2680 57.4125 41.4002 178.0809 33 E 3.9369 8.0819 118.2032 59.7022 29.6420 179.2836 34 I 3.7150 7.8387 118.9260 64.3830 37.2158 178.2668 35 A 3.9958 8.1658 121.8477 55.1654 18.2071 179.4757 36 D 4.2974 8.2412 117.4598 57.5258 40.9242 179.0752 37 I 3.6958 7.6992 119.7244 64.2070 37.0176 178.1954 38 A 3.9702 7.9753 121.6747 55.1799 18.0888 178.9928 39 E 3.7886 8.0137 117.3240 59.5307 29.7202 178.6205 40 S 3.9669 8.0805 112.8679 61.8227 62.3056 176.3837 41 I 3.7366 8.1865 122.3759 64.5813 36.8159 177.8435 42 H 4.0563 8.3376 119.1018 59.5033 29.5887 177.0584 43 D 4.3584 8.3263 120.8023 57.7942 40.6171 178.6071 44 H 4.3495 8.7190 116.8362 58.6318 28.6713 177.7468 45 A 4.0475 8.3793 123.1720 55.1016 18.1162 179.1931 46 D 4.3778 8.1805 116.6294 57.3348 41.2040 178.4228 47 E 3.9860 7.9135 119.5055 59.3999 29.4192 179.2298 48 I 3.7295 7.8278 119.9396 64.3851 37.0659 177.9102 49 Y 4.2883 8.1939 120.4848 60.9415 38.6679 178.3607 50 R 3.6878 8.2535 119.1604 59.2020 30.1457 179.2724 51 S 4.0067 8.2279 114.8908 61.3788 62.7331 176.6356 52 A 3.3608 8.1497 123.8126 54.7836 17.6519 179.2629 53 L 3.7103 7.8818 118.7678 58.2807 41.7832 179.1556 54 A 3.9743 7.6514 119.6878 54.8640 18.5686 179.3006 55 R 3.8550 8.0153 116.6144 59.0257 30.2610 177.8981 56 F 5.1070 8.2407 114.8723 57.5186 39.4604 176.1521 57 G 3.7673 7.6607 112.6750 45.5575 0.0000 173.1312 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 T 7.98 4.88 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 1.16 0.00 0.00 3 K 7.90 3.75 0.00 1.95 1.74 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.62 7.81 4 Q 8.71 4.01 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 5 E 7.63 3.32 0.00 1.81 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 6 K 7.80 3.95 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.71 7.81 7 T 7.76 3.84 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 1.23 0.00 0.00 8 I 8.39 3.79 2.37 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 1.10 0.00 0.00 9 L 8.66 4.24 0.00 2.01 1.86 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.77 4.41 0.00 2.82 2.85 0.00 0.00 7.15 7.62 0.00 0.00 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 M 8.29 4.28 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.72 0.00 12 A 7.91 4.11 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 3.39 0.00 1.33 1.92 0.00 3.06 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.00 14 F 8.25 4.27 0.00 3.22 3.06 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 0.00 0.00 0.00 0.00 15 I 7.91 3.76 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 0.88 0.00 0.00 16 R 7.57 3.86 0.00 1.91 1.94 0.00 3.00 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 17 S 7.54 4.05 0.00 3.82 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 18 Q 7.89 3.78 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.82 1.33 0.00 19 A 8.41 4.01 1.39 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 0.00 0.00 20 L 7.64 3.98 0.00 1.67 1.67 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.83 3.86 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 22 I 7.77 3.75 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.89 0.00 0.00 23 L 7.79 3.91 0.00 1.89 1.82 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.15 3.92 0.00 2.17 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 0.00 2.30 2.47 0.00 25 K 7.88 4.13 0.00 1.76 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.59 7.81 26 A 8.29 3.98 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 27 N 8.22 4.24 0.00 2.99 2.87 0.00 0.00 7.05 7.21 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 28 E 8.21 3.92 0.00 2.02 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 0.00 2.34 2.60 0.00 29 L 7.85 4.06 0.00 1.61 1.72 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.80 4.31 0.00 2.82 2.73 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 31 A 8.39 4.57 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 32 D 8.23 4.31 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 3.94 0.00 2.00 1.99 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 2.40 2.40 0.00 34 I 7.84 3.71 1.86 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 1.56 0.56 0.90 0.00 0.00 35 A 8.17 4.00 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 36 D 8.24 4.30 0.00 2.83 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 37 I 7.70 3.70 1.86 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 1.45 0.71 0.91 0.00 0.00 38 A 7.98 3.97 1.46 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 0.00 0.00 39 E 8.01 3.79 0.00 2.21 2.17 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 2.29 2.35 0.00 40 S 8.08 3.97 0.00 3.90 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 41 I 8.19 3.74 2.00 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 1.42 0.77 0.90 0.00 0.00 42 H 8.34 4.06 0.00 3.14 3.52 0.00 5.59 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 43 D 8.33 4.36 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.72 4.35 0.00 3.11 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.38 4.05 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 46 D 8.18 4.38 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.91 3.99 0.00 2.22 1.99 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 2.54 2.53 0.00 48 I 7.83 3.73 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 0.96 0.00 0.00 49 Y 8.19 4.29 0.00 3.09 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 50 R 8.25 3.69 0.00 1.85 1.88 0.00 3.41 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 51 S 8.23 4.01 0.00 3.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.15 3.36 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 3.71 0.00 1.71 1.59 0.71 0.50 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 54 A 7.65 3.97 1.28 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 0.00 0.00 0.00 55 R 8.02 3.86 0.00 1.54 1.18 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.52 0.00 56 F 8.24 5.11 0.00 3.10 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 57 G 7.66 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 0.00 0.00 0.00