NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2763 8.2649 123.5796 50.8533 18.7739 175.9822 7 P 4.1448 0.0000 0.0000 62.3785 31.5868 175.0480 8 D 4.7260 8.9963 123.0580 51.6751 42.3242 176.8017 9 F 3.7950 8.8362 120.9333 62.2363 38.9953 177.0893 10 H 4.5176 8.2184 114.9880 58.8084 28.3994 177.2486 11 D 4.3308 8.4699 120.7809 57.0383 40.7140 178.6634 12 K 3.8947 7.1171 117.4989 59.7712 33.1754 178.2087 13 Y 4.6384 7.2942 117.4322 59.0117 38.1622 178.3589 14 G 4.0996 8.1256 107.5998 48.0703 0.0000 175.6708 15 N 4.3830 8.2201 119.1762 55.4297 38.5594 177.1916 16 A 3.9853 7.9997 121.7382 55.2135 18.6061 179.3895 17 V 3.5390 8.0724 116.5684 66.1498 31.5916 177.5520 18 L 3.9108 8.1113 119.6917 58.5919 41.7577 178.7710 19 A 4.0174 8.2245 120.5161 55.1425 18.3281 179.5337 20 S 4.2039 8.6098 112.6151 61.5288 62.9536 177.0341 21 G 3.6434 8.7439 109.3286 47.6461 0.0000 175.5238 22 A 4.1109 8.4641 124.2626 54.9086 18.2798 180.0144 23 T 3.9113 8.2144 114.5513 66.7272 68.6457 176.6141 24 F 4.3091 8.5138 122.8648 61.9954 39.3730 176.1682 25 C 3.7765 8.2534 118.0388 62.8988 31.1775 175.9601 26 V 3.6995 7.8074 119.5764 64.7477 30.9374 178.1143 27 A 3.9755 8.0551 121.5870 55.1569 18.3533 179.6784 28 V 3.4969 7.8973 116.4245 65.8555 31.5609 178.4750 29 W 4.0010 8.3898 118.7651 59.6507 28.7600 178.6449 30 V 3.7646 7.8506 118.0968 66.2103 30.8112 177.2755 31 Y 4.0600 8.0487 118.8689 60.8296 38.5051 177.3093 32 M 3.9385 8.2602 118.2800 58.9674 32.4375 178.0784 33 A 4.6697 8.6872 119.5873 54.4297 18.6769 178.0171 34 T 4.4247 7.5687 105.5882 63.4796 70.8045 175.8756 35 Q 4.0653 8.4652 118.6197 56.0956 28.4758 175.1297 36 I 4.6129 6.8743 110.4771 59.0520 40.3436 174.8362 37 G 4.0008 8.2563 106.9805 45.9659 0.0000 174.1895 38 I 3.4581 7.6409 120.9749 60.8051 37.5187 176.2397 39 E 4.3409 8.1171 125.4470 54.6602 28.6635 175.8689 40 W 4.1667 8.5584 124.7234 57.4344 30.1418 176.3580 41 N 4.1258 8.0937 115.8834 53.8305 36.8923 171.2067 42 P 4.5169 0.0000 0.0000 62.1296 32.1654 176.6942 43 S 4.1837 8.5029 113.9044 57.8091 62.7664 173.4387 44 P 4.3588 0.0000 0.0000 65.0526 31.4741 176.4030 45 V 3.7105 6.8711 115.9315 63.7988 31.0879 175.6147 46 G 4.0994 9.2210 114.0862 44.6958 0.0000 173.6304 47 R 4.3847 7.6432 113.8096 56.2072 31.2596 176.3223 48 V 4.2234 7.9218 117.8286 61.1406 33.0122 174.9358 49 T 4.4228 8.2351 123.5762 60.8971 68.9571 172.9124 50 P 4.3290 0.0000 0.0000 62.8772 31.6905 175.8624 51 K 4.5902 8.3601 122.1087 54.0687 34.0571 175.8881 52 E 4.0841 8.7195 123.5176 56.3275 29.9894 176.5384 53 W 4.5991 8.3832 120.9638 55.8129 29.1493 175.7031 54 R 3.8488 7.0446 123.5945 56.6111 31.0574 175.2726 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 6 A 8.26 4.28 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 7 P 0.00 4.14 0.00 2.04 1.96 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 8 D 9.00 4.73 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 3.80 0.00 3.17 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 10 H 8.22 4.52 0.00 3.41 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.47 4.33 0.00 2.64 2.66 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 12 K 7.12 3.89 0.00 1.15 1.53 0.00 1.00 0.00 0.00 0.84 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.05 0.21 7.81 13 Y 7.29 4.64 0.00 2.51 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 14 G 8.13 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.22 4.38 0.00 2.84 2.89 0.00 0.00 6.88 7.08 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 16 A 8.00 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.54 2.20 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 0.96 0.00 0.00 1.12 0.00 0.00 18 L 8.11 3.91 0.00 1.95 1.86 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.22 4.02 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 20 S 8.61 4.20 0.00 4.06 4.17 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 21 G 8.74 3.64 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 22 A 8.46 4.11 1.42 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 0.00 0.00 0.00 23 T 8.21 3.91 4.54 0.00 0.00 0.00 0.00 0.00 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 24 F 8.51 4.31 0.00 3.04 3.38 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 25 C 8.25 3.78 0.00 3.10 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 26 V 7.81 3.70 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 0.87 0.00 0.00 0.95 0.00 0.00 27 A 8.06 3.98 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 28 V 7.90 3.50 1.74 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 0.82 0.00 0.00 0.57 0.00 0.00 29 W 8.39 4.00 0.00 3.37 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 30 V 7.85 3.76 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 31 Y 8.05 4.06 0.00 3.11 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 32 M 8.26 3.94 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 33 A 8.69 4.67 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 4.42 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 1.25 0.00 0.00 35 Q 8.47 4.07 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 36 I 6.87 4.61 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.84 0.00 0.00 37 G 8.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 3.46 1.60 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.42 -0.46 0.00 0.00 39 E 8.12 4.34 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 40 W 8.56 4.17 0.00 3.30 3.26 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 41 N 8.09 4.13 0.00 2.80 2.82 0.00 0.00 7.21 8.74 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 42 P 0.00 4.52 0.00 2.24 2.09 0.00 3.92 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 2.03 2.01 0.00 43 S 8.50 4.18 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.26 2.30 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 6.87 3.71 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 0.68 0.00 0.00 0.93 0.00 0.00 46 G 9.22 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.64 4.38 0.00 1.91 2.04 0.00 3.03 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 48 V 7.92 4.22 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 0.82 0.00 0.00 0.94 0.00 0.00 49 T 8.24 4.42 4.26 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 1.22 0.00 0.00 50 P 0.00 4.33 0.00 2.23 2.11 0.00 3.76 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 2.02 2.02 0.00 51 K 8.36 4.59 0.00 1.81 1.81 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 52 E 8.72 4.08 0.00 1.88 1.82 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 2.16 2.24 0.00 53 W 8.38 4.60 0.00 3.63 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 54 R 7.04 3.85 0.00 1.87 2.02 0.00 3.26 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00