NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2581 8.1731 122.4887 55.2257 42.3863 176.3903 2 G 3.7406 8.4332 117.0147 43.3271 0.0000 169.8259 3 A 4.3025 8.2490 127.4685 51.8548 21.3336 176.7180 4 S 4.6709 7.2935 113.9490 57.8742 65.1327 176.4546 5 W 4.3167 8.6781 135.0000 56.0882 32.2679 172.2067 6 H 3.5389 7.3126 123.1312 56.0533 26.4722 175.2999 7 R 4.3871 7.4577 115.2496 55.2327 29.7018 170.8774 8 P 4.2370 0.0000 0.0000 63.1713 30.3697 174.9072 9 D 4.6065 8.4779 125.5634 52.8713 40.1022 173.8609 10 K 3.8454 7.3166 126.0513 53.1753 37.5754 173.0358 11 C 3.9118 8.3621 130.2635 57.4554 38.6057 173.9077 12 C 4.6544 8.2365 125.4187 53.7902 42.6866 172.9764 13 L 3.8760 8.1616 125.4067 57.5989 40.5253 178.8357 14 G 3.8805 7.4638 106.5667 44.6757 0.0000 171.7497 15 Y 4.9181 7.9606 117.2133 55.6396 42.1338 174.9487 16 Q 4.4442 9.2715 122.4886 56.2724 29.6390 175.1758 17 K 4.8675 8.3465 119.3473 55.3959 33.4409 176.4791 18 R 4.3877 7.7167 113.6930 54.0430 32.0913 172.3055 19 P 2.0000 0.0000 0.0000 61.1254 32.2816 175.3830 20 L 4.5041 6.9263 122.2025 51.9853 44.3289 174.2121 21 P 4.5819 0.0000 0.0000 62.1700 32.6759 176.9179 22 Q 4.3447 8.6289 120.9690 57.5143 29.3487 177.9106 23 V 3.7553 7.9074 116.6577 64.5015 31.4040 176.4701 24 L 4.6688 7.6675 116.5176 54.7529 41.3483 175.8910 25 L 4.4740 7.6286 121.8299 55.4511 42.9209 175.1042 26 S 4.6656 8.8263 113.4000 59.3684 65.4596 175.2780 27 S 4.9045 8.0630 111.8696 57.9584 67.7597 172.4422 28 W 5.5147 7.8242 116.0672 55.5597 31.3756 173.3303 29 Y 4.9185 8.6577 121.1235 54.4784 40.2644 173.4256 30 P 4.8861 0.0000 0.0000 62.7771 32.9955 176.0206 31 T 4.3981 7.7434 110.8612 61.1108 70.8138 173.7652 32 S 4.5914 8.5059 116.2697 57.9310 63.5181 173.0882 33 Q 4.7037 8.3535 118.7884 56.0678 28.7309 176.1004 34 L 4.8659 7.8437 115.9854 54.8977 42.8559 177.0302 35 C 5.1238 7.9470 113.8858 54.8283 43.8292 174.5914 36 S 4.2586 8.7708 116.2354 60.9260 62.3214 175.3486 37 K 4.6461 7.4970 118.2021 54.3146 32.0783 172.6426 38 P 4.7209 0.0000 0.0000 63.0992 33.9815 174.7877 39 G 4.5536 8.5593 106.4384 45.3480 0.0000 175.9634 40 V 4.5651 7.2998 122.9752 61.4081 35.8069 171.3840 41 I 5.0371 7.5999 127.4973 59.7985 39.4501 175.6448 42 F 4.7862 9.8243 126.0534 57.0256 41.3567 175.2682 43 L 4.7834 9.0074 120.0129 53.4998 44.6235 176.4021 44 T 4.1504 8.4614 114.6099 61.4889 69.4372 175.0274 45 K 4.2585 8.7925 120.8527 58.6267 31.6934 178.7025 46 R 4.6809 7.9947 114.7853 55.4796 33.1306 175.2767 47 G 3.9865 8.3924 110.0447 46.6410 0.0000 176.4907 48 R 4.6685 8.7210 127.0832 55.3926 34.9720 173.5618 49 Q 5.4658 8.5825 118.3947 55.4153 30.7522 176.2042 50 V 4.4558 8.1194 119.4971 62.1966 35.3345 173.5307 51 C 5.1667 9.1246 125.9271 56.6851 35.9648 172.4405 52 A 5.2418 10.0085 126.3828 50.2850 22.6615 174.1619 53 D 4.6645 8.1586 121.3515 52.4431 42.0339 178.0012 54 K 3.6654 8.6814 122.6424 59.7125 32.5854 178.2617 55 S 4.0203 7.7954 114.7259 61.1348 62.8397 174.5960 56 K 4.0372 7.5079 119.0992 56.7091 32.5996 176.0875 57 D 4.6013 8.2699 117.3426 56.6789 41.6398 179.0744 58 W 4.2462 7.9798 116.5665 59.5582 28.1116 178.2392 59 V 2.9879 6.2805 118.6192 65.0131 30.7018 177.8130 60 K 3.7114 7.4251 119.1862 59.1750 32.1041 178.5056 61 K 3.9189 7.8130 119.4504 59.5032 32.0162 178.6998 62 L 4.1104 7.7706 118.8241 58.2156 41.3743 179.2000 63 M 3.0328 7.7397 117.4470 58.2837 31.8536 178.0893 64 Q 4.2609 7.5508 118.3132 58.5121 29.4700 177.5218 65 Q 4.1945 8.4449 119.1152 57.0938 29.1185 176.3061 66 L 4.8627 8.2414 119.5781 52.1982 43.3629 173.5401 67 P 4.3974 0.0000 0.0000 62.0358 32.0212 176.7442 68 V 2.9048 6.3979 120.4771 61.9093 34.0477 171.3886 69 T 4.1818 7.5262 117.1783 60.8988 68.7746 173.2937 70 A 4.3325 8.1619 130.0104 51.4449 21.9769 175.7721 71 R 4.0990 8.3442 122.7276 56.7979 30.1240 174.4219 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 L 8.17 4.26 0.00 1.62 1.69 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 2 G 8.43 3.74 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 0.00 0.00 0.00 3 A 8.25 4.30 1.30 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 0.00 0.00 0.00 4 S 7.29 4.67 0.00 3.85 3.81 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 5 W 8.68 4.32 0.00 3.20 3.22 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 0.00 6 H 7.31 3.54 0.00 3.49 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.46 4.39 0.00 1.78 1.81 0.00 2.95 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.25 0.00 8 P 0.00 4.24 0.00 2.17 2.10 0.00 3.83 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 9 D 8.48 4.61 0.00 2.83 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 10 K 7.32 3.85 0.00 1.80 1.69 0.00 2.04 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.32 7.81 11 C 8.36 3.91 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.24 4.65 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 13 L 8.16 3.88 0.00 1.77 1.77 0.90 0.44 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 14 G 7.46 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 15 Y 7.96 4.92 0.00 2.99 2.96 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 16 Q 9.27 4.44 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 17 K 8.35 4.87 0.00 1.76 1.76 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 18 R 7.72 4.39 0.00 1.62 1.71 0.00 2.88 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 19 P 0.00 2.00 0.00 1.80 1.28 0.00 3.40 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 20 L 6.93 4.50 0.00 1.54 1.48 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.58 0.00 2.22 2.15 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 22 Q 8.63 4.34 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.94 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 23 V 7.91 3.76 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 0.95 0.00 0.00 0.95 0.00 0.00 24 L 7.67 4.67 0.00 1.85 1.89 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.63 4.47 0.00 1.84 1.79 1.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.83 4.67 0.00 4.09 3.81 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 27 S 8.06 4.90 0.00 3.69 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.82 5.51 0.00 2.58 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 0.00 0.00 0.00 0.00 29 Y 8.66 4.92 0.00 3.00 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 30 P 0.00 4.89 0.00 2.17 2.24 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 31 T 7.74 4.40 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 32 S 8.51 4.59 0.00 3.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.35 4.70 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.30 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 34 L 7.84 4.87 0.00 1.58 1.61 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.95 5.12 0.00 2.93 2.95 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 0.00 0.00 0.00 0.00 36 S 8.77 4.26 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 4.65 0.00 1.94 1.80 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.56 7.81 38 P 0.00 4.72 0.00 2.24 2.12 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 39 G 8.56 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.30 4.57 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.89 0.00 0.00 41 I 7.60 5.04 1.13 0.00 0.00 0.71 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 0.59 1.20 0.00 0.00 42 F 9.82 4.79 0.00 3.11 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 43 L 9.01 4.78 0.00 1.67 1.66 1.01 1.06 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 44 T 8.46 4.15 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 45 K 8.79 4.26 0.00 1.72 1.94 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.50 7.81 46 R 7.99 4.68 0.00 1.73 1.87 0.00 3.24 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 47 G 8.39 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.72 4.67 0.00 1.77 1.87 0.00 3.14 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 49 Q 8.58 5.47 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.69 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 50 V 8.12 4.46 2.26 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 1.22 0.00 0.00 1.05 0.00 0.00 51 C 9.12 5.17 0.00 2.88 2.77 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 52 A 10.01 5.24 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.66 0.00 1.93 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 0.00 0.00 0.00 54 K 8.68 3.67 0.00 1.63 1.69 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.33 7.81 55 S 7.80 4.02 0.00 3.68 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.51 4.04 0.00 1.14 1.34 0.00 1.52 0.00 0.00 1.78 0.00 0.00 3.32 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.26 7.81 57 D 8.27 4.60 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 W 7.98 4.25 0.00 3.59 3.28 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 59 V 6.28 2.99 1.47 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 0.83 0.00 0.00 -1.46 0.00 0.00 60 K 7.43 3.71 0.00 1.89 1.77 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.36 7.81 61 K 7.81 3.92 0.00 1.92 1.83 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 62 L 7.77 4.11 0.00 2.06 2.07 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 M 7.74 3.03 0.00 1.56 2.08 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.20 0.00 64 Q 7.55 4.26 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 65 Q 8.44 4.19 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 66 L 8.24 4.86 0.00 2.10 1.81 1.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.40 0.00 2.09 2.00 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 68 V 6.40 2.90 1.62 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 0.41 0.00 0.00 -0.94 0.00 0.00 69 T 7.53 4.18 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 1.23 0.00 0.00 70 A 8.16 4.33 1.15 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 0.00 0.00 71 R 8.34 4.10 0.00 1.67 1.68 0.00 3.23 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 1.47 1.58 0.00