NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4805 8.1627 120.2772 55.1028 34.3996 173.9129 2 K 4.4578 8.3375 122.7876 54.2409 35.0387 173.8534 3 I 4.4710 8.2192 129.1736 61.0034 39.5821 175.2984 4 K 4.4390 7.9434 117.4261 56.1174 35.0898 173.7457 5 L 4.3529 8.4244 129.3974 55.1142 42.6242 177.2636 6 V 4.5122 8.8905 118.9959 61.0949 33.1666 176.1077 7 R 4.5412 7.6923 119.3369 53.8402 33.3558 174.8291 8 S 4.1415 8.5786 117.2848 58.6035 63.2177 173.9519 9 V 4.2112 8.0988 121.6966 63.0598 32.7442 176.0331 10 I 3.9692 7.6072 120.0414 62.6784 37.3404 176.7511 11 G 3.9631 8.7166 110.8284 45.9245 0.0000 173.9673 12 R 4.4401 7.6317 118.2801 54.2299 31.6588 175.2268 13 P 4.4912 0.0000 0.0000 62.3257 33.0512 177.5620 14 G 3.9597 8.6770 108.4760 49.2700 0.0000 174.8935 15 N 4.0238 8.6657 117.3836 55.8759 38.2528 177.0011 16 Q 3.9081 7.9725 118.8457 59.3660 29.3326 179.7903 17 V 3.5802 7.9367 119.1455 66.3419 31.2054 177.8380 18 K 3.8752 8.4102 118.1196 59.9442 31.9473 179.0529 19 T 3.9389 7.9825 115.0243 67.1691 68.3913 176.4736 20 V 3.6364 8.1199 120.0076 66.3321 30.9782 177.3136 21 Q 3.9557 8.4979 119.6995 58.1324 28.6195 177.6496 22 A 4.0220 9.0878 123.7954 55.5466 18.7937 179.4879 23 L 4.0335 7.9455 115.1786 55.6314 41.8838 178.1630 24 G 3.8627 9.0503 107.2039 46.0305 0.0000 173.2637 25 L 4.5259 7.9369 119.4379 53.3190 42.8429 176.6718 26 R 4.4635 8.7485 121.5285 57.1055 31.9442 177.0135 27 K 4.6058 8.1894 116.2878 54.0644 36.1068 175.9539 28 I 3.9429 8.3281 116.9456 62.1921 37.7130 175.1600 29 G 4.0609 8.8486 109.6762 45.4888 0.0000 174.0496 30 D 4.8113 8.1646 119.6615 54.1278 42.3062 175.7916 31 S 5.1110 8.1356 115.1526 56.7332 67.2192 172.9111 32 R 4.4437 7.9824 112.5777 55.6155 32.3504 173.6489 33 E 4.5982 9.0144 123.4215 56.0570 30.5805 175.8282 34 V 4.5860 7.9034 124.3093 59.5803 34.8640 175.2280 35 S 4.1629 8.5906 117.1752 58.1420 62.4636 174.2909 36 D 4.6527 8.4995 128.5602 53.6649 39.5529 174.1433 37 T 4.6800 8.0712 113.5192 58.6502 72.2867 174.5614 38 P 4.0068 0.0000 0.0000 65.5653 32.3583 178.1579 39 A 3.9901 7.9922 121.3971 54.1974 18.2840 178.8710 40 V 3.8925 8.3002 115.2543 64.2268 31.7460 178.0415 41 R 4.0636 7.7325 117.4316 59.5339 30.1928 178.6480 42 G 3.6165 8.1560 105.6857 48.2474 0.0000 174.8781 43 M 3.9419 7.8244 119.5956 58.7658 32.2830 178.4932 44 V 3.6724 7.6984 117.0439 66.3755 31.9405 178.3644 45 K 3.8188 8.0140 117.8060 60.0633 31.7589 178.9557 46 T 3.9158 7.7924 114.5041 66.0570 68.9449 176.6398 47 V 4.2310 7.5443 113.5598 60.0355 32.7465 178.1039 48 K 3.7774 7.9997 122.9347 60.1550 32.0834 178.1042 49 H 4.3709 8.0844 108.0194 56.5683 28.0529 175.2545 50 L 4.7752 8.1778 120.4833 54.6276 44.5580 176.1709 51 L 4.9513 7.7590 117.6669 53.1167 43.8708 176.8691 52 E 4.3054 9.1128 124.7317 54.8460 29.0123 174.6022 53 V 3.7366 8.0776 124.8407 63.2618 32.0013 175.0052 54 Q 4.0432 9.5450 128.8374 58.3868 29.4941 176.8354 55 E 4.2532 9.1772 116.1496 56.5847 30.6995 174.9391 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 M 8.16 4.48 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 2 K 8.34 4.46 0.00 2.12 1.71 0.00 1.77 0.00 0.00 2.15 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.59 7.81 3 I 8.22 4.47 2.02 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 1.28 1.23 0.90 0.00 0.00 4 K 7.94 4.44 0.00 1.76 1.88 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.24 7.81 5 L 8.42 4.35 0.00 1.81 1.59 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.89 4.51 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 0.74 0.00 0.00 1.01 0.00 0.00 7 R 7.69 4.54 0.00 1.76 1.81 0.00 3.43 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 8 S 8.58 4.14 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.10 4.21 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 0.98 0.00 0.00 0.93 0.00 0.00 10 I 7.61 3.97 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 1.35 0.65 0.91 0.00 0.00 11 G 8.72 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 0.00 0.00 0.00 12 R 7.63 4.44 0.00 2.03 1.88 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 13 P 0.00 4.49 0.00 2.17 1.98 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 14 G 8.68 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 0.00 0.00 0.00 15 N 8.67 4.02 0.00 2.75 2.76 0.00 0.00 6.97 7.74 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 16 Q 7.97 3.91 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 17 V 7.94 3.58 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 1.12 0.00 0.00 0.96 0.00 0.00 18 K 8.41 3.88 0.00 1.86 1.83 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.90 1.64 7.81 19 T 7.98 3.94 4.38 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 1.23 0.00 0.00 20 V 8.12 3.64 2.36 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 0.99 0.00 0.00 0.97 0.00 0.00 21 Q 8.50 3.96 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.42 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 22 A 9.09 4.02 1.26 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 0.00 0.00 0.00 23 L 7.95 4.03 0.00 1.78 1.75 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 24 G 9.05 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 0.00 0.00 0.00 25 L 7.94 4.53 0.00 1.80 1.60 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.75 4.46 0.00 1.92 1.95 0.00 3.33 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 K 8.19 4.61 0.00 1.79 1.63 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.36 7.81 28 I 8.33 3.94 1.99 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 1.35 0.52 0.91 0.00 0.00 29 G 8.85 4.06 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 0.00 0.00 0.00 30 D 8.16 4.81 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 5.11 0.00 3.90 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 32 R 7.98 4.44 0.00 1.90 2.01 0.00 2.76 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 33 E 9.01 4.60 0.00 1.98 1.88 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 2.29 2.36 0.00 34 V 7.90 4.59 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 0.75 0.00 0.00 0.93 0.00 0.00 35 S 8.59 4.16 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.50 4.65 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 4.68 4.24 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 1.21 0.00 0.00 38 P 0.00 4.01 0.00 2.30 2.29 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 39 A 7.99 3.99 1.33 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 0.00 0.00 40 V 8.30 3.89 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 1.11 0.00 0.00 0.93 0.00 0.00 41 R 7.73 4.06 0.00 2.05 1.94 0.00 3.17 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 42 G 8.16 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 7.82 3.94 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.89 0.00 44 V 7.70 3.67 2.07 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 1.02 0.00 0.00 0.92 0.00 0.00 45 K 8.01 3.82 0.00 2.06 1.87 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.56 7.81 46 T 7.79 3.92 4.56 0.00 0.00 0.00 0.00 0.00 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 47 V 7.54 4.23 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 0.74 0.00 0.00 0.89 0.00 0.00 48 K 8.00 3.78 0.00 1.95 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.41 7.81 49 H 8.08 4.37 0.00 3.27 3.43 0.00 5.71 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.18 4.78 0.00 1.64 1.68 0.99 1.00 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 51 L 7.76 4.95 0.00 1.54 1.56 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.11 4.31 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 53 V 8.08 3.74 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 0.79 0.00 0.00 0.92 0.00 0.00 54 Q 9.55 4.04 0.00 2.16 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 55 E 9.18 4.25 0.00 1.92 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00