NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0423 8.1233 122.3719 51.4544 20.8192 175.2418 2 W 5.1384 8.8546 118.6138 54.4214 32.9786 173.3286 3 K 4.9797 9.3532 121.9520 54.6304 35.8175 175.8999 4 V 4.4700 8.4822 123.8898 63.0555 32.8477 175.2563 5 S 4.7864 9.1130 120.4889 56.8830 67.5968 173.1193 6 V 4.8386 8.3421 123.0819 60.9120 33.8809 174.3380 7 D 4.4707 8.9710 128.7567 54.1783 41.2151 176.9664 8 Q 4.0758 8.8732 126.4781 59.1142 28.8658 178.1333 9 D 4.4929 8.1652 118.7533 57.0464 40.9544 178.1687 10 T 4.1674 7.6421 115.2246 64.9211 69.3238 175.4053 11 C 4.1377 7.6532 120.3707 59.7627 31.9390 173.0520 12 I 4.2863 8.2978 118.3132 59.9175 37.7243 175.2852 13 G 4.0039 7.9975 107.0741 46.3079 0.0000 175.0322 14 D 4.1978 8.2731 120.0058 55.7434 41.7027 176.8385 15 A 3.7752 8.1422 118.9516 52.6440 16.2442 179.0786 16 I 3.7429 7.3146 118.1138 64.1151 37.8547 177.8945 17 C 3.7515 7.7738 115.1817 61.1675 29.1944 175.6429 18 A 4.1066 7.7078 121.8662 54.4988 18.0537 179.1737 19 S 4.1610 7.7899 111.1174 61.7690 62.6457 176.2412 20 L 4.2002 7.9406 120.4642 56.9293 42.9050 177.1581 21 C 5.0080 8.2945 118.1636 54.7267 43.9101 172.6179 22 P 4.3568 0.0000 0.0000 65.0541 31.7300 178.1467 23 D 4.5041 8.0884 117.8877 56.0253 41.4607 176.7558 24 V 4.0486 7.7278 118.3176 63.1383 33.9277 175.2915 25 F 5.4545 8.4673 118.2062 55.4244 41.3191 174.9885 26 E 4.9045 9.1037 120.1027 54.7489 33.2031 174.7074 27 M 4.9631 8.6220 119.9127 54.7736 33.8276 175.2630 28 N 5.1728 8.7192 119.4425 51.0967 40.6155 174.7006 29 D 4.5101 8.8200 116.9884 56.5529 41.0416 177.0735 30 E 4.3085 8.3728 117.3024 55.8914 29.8166 176.3066 31 G 3.8801 8.3563 107.7039 46.2384 0.0000 173.2876 32 K 4.7589 8.1094 117.2809 53.8739 36.0468 175.7501 33 A 5.0281 8.5498 123.7645 52.1508 19.7868 176.6572 34 Q 4.7094 9.0671 116.8189 54.1640 32.5985 172.1808 35 P 4.6527 0.0000 0.0000 62.8044 31.4995 176.8929 36 K 4.2892 9.0183 123.2471 57.6933 32.7126 177.6236 37 V 4.4818 7.4144 111.9539 59.6068 35.1073 175.2513 38 E 4.3765 8.6699 121.0032 56.9561 30.1205 176.5564 39 V 4.6563 7.2216 116.9831 61.6367 34.6809 172.6779 40 I 4.6912 9.1942 127.0729 59.7797 39.6640 175.9646 41 E 4.6721 8.8312 123.0835 56.2871 31.7782 176.3361 42 D 4.5387 8.0969 119.3639 53.7909 42.2644 176.0484 43 E 4.0196 8.9771 127.6796 59.3654 29.8066 178.3948 44 E 3.9561 8.4033 118.1549 59.6036 29.5444 179.2803 45 L 3.9876 7.8707 118.3025 57.7528 41.6577 178.6930 46 Y 3.7725 8.1839 119.7241 60.7501 38.6354 177.8781 47 N 3.8892 8.2714 117.8813 56.3513 38.7797 174.7865 48 C 4.3647 8.2464 114.6604 57.5466 43.1715 175.8286 49 A 4.1171 7.9000 124.2352 55.0656 17.9747 179.4570 50 K 3.6789 7.7945 118.5133 59.3467 32.2786 178.6013 51 E 3.8296 8.0471 119.5023 59.2739 29.6194 178.7670 52 A 3.8745 7.8699 120.5083 55.1625 18.1370 179.3020 53 M 3.9391 7.8480 116.1308 58.7645 32.4179 177.8707 54 E 4.0158 8.1570 118.0656 58.4669 29.8701 177.8069 55 A 4.3242 7.4461 118.9856 52.2655 19.2105 177.1307 56 C 4.0077 7.4147 118.9430 58.9660 31.8274 172.6451 57 P 4.4604 0.0000 0.0000 64.5804 31.2574 177.0992 58 V 4.2335 7.4271 110.2038 60.4322 32.8314 175.1234 59 S 3.6772 7.5787 113.0448 59.7239 60.3524 172.3057 60 A 4.3621 7.8099 121.3956 53.1311 20.0162 178.1764 61 I 5.1836 7.6751 115.9367 59.7918 39.6426 175.1736 62 T 4.8889 8.8325 114.7836 60.3463 72.8100 172.6317 63 I 5.1515 8.3130 121.9439 59.7127 41.0138 174.1776 64 E 4.7976 9.5547 128.0020 54.5305 31.9688 174.2307 65 E 4.9753 8.9090 125.4176 54.6932 31.8256 175.7781 66 A 4.2436 8.0867 124.2052 52.1273 19.0512 175.8250 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 A 8.12 4.04 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 2 W 8.85 5.14 0.00 3.44 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.35 4.98 0.00 1.74 1.69 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.72 7.81 4 V 8.48 4.47 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 0.78 0.00 0.00 0.87 0.00 0.00 5 S 9.11 4.79 0.00 3.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 4.84 2.27 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 0.87 0.00 0.00 1.16 0.00 0.00 7 D 8.97 4.47 0.00 2.80 2.57 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 8 Q 8.87 4.08 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 9 D 8.17 4.49 0.00 2.81 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 10 T 7.64 4.17 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 1.22 0.00 0.00 11 C 7.65 4.14 0.00 3.03 2.85 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 0.00 0.00 0.00 12 I 8.30 4.29 1.86 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 1.33 0.80 0.97 0.00 0.00 13 G 8.00 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 14 D 8.27 4.20 0.00 2.61 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 15 A 8.14 3.78 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 16 I 7.31 3.74 1.94 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 1.52 1.40 0.85 0.00 0.00 17 C 7.77 3.75 0.00 1.69 2.51 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 18 A 7.71 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.79 4.16 0.00 3.87 3.97 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 0.00 0.00 0.00 20 L 7.94 4.20 0.00 1.63 1.68 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.29 5.01 0.00 3.02 3.36 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 22 P 0.00 4.36 0.00 2.24 2.30 0.00 3.84 0.00 0.00 3.94 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 23 D 8.09 4.50 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.73 4.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.84 0.00 0.00 25 F 8.47 5.45 0.00 2.90 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 26 E 9.10 4.90 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 27 M 8.62 4.96 0.00 1.94 2.04 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 2.57 2.49 0.00 28 N 8.72 5.17 0.00 2.81 3.04 0.00 0.00 7.07 8.93 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 29 D 8.82 4.51 0.00 2.70 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 30 E 8.37 4.31 0.00 2.06 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 0.00 2.27 2.36 0.00 31 G 8.36 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 K 8.11 4.76 0.00 1.93 1.69 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.51 7.81 33 A 8.55 5.03 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 34 Q 9.07 4.71 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 35 P 0.00 4.65 0.00 1.90 1.87 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 36 K 9.02 4.29 0.00 1.54 1.84 0.00 1.65 0.00 0.00 1.97 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.40 7.81 37 V 7.41 4.48 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 0.72 0.00 0.00 0.86 0.00 0.00 38 E 8.67 4.38 0.00 1.93 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 2.26 2.34 0.00 39 V 7.22 4.66 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 0.75 0.00 0.00 0.94 0.00 0.00 40 I 9.19 4.69 2.15 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 1.34 0.69 1.18 0.00 0.00 41 E 8.83 4.67 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 42 D 8.10 4.54 0.00 2.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.98 4.02 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 44 E 8.40 3.96 0.00 2.22 2.00 0.00 0.00 0.00 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 2.42 0.00 45 L 7.87 3.99 0.00 1.88 1.71 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.18 3.77 0.00 2.33 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 3.89 0.00 2.87 2.75 0.00 0.00 6.86 7.33 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 48 C 8.25 4.36 0.00 3.14 3.30 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 49 A 7.90 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 3.68 0.00 1.24 1.52 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.14 1.25 7.81 51 E 8.05 3.83 0.00 2.12 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 2.25 2.27 0.00 52 A 7.87 3.87 1.14 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 0.00 0.00 53 M 7.85 3.94 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 54 E 8.16 4.02 0.00 1.95 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 0.00 2.28 2.33 0.00 55 A 7.45 4.32 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 56 C 7.41 4.01 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.19 2.13 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 58 V 7.43 4.23 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 0.76 0.00 0.00 0.95 0.00 0.00 59 S 7.58 3.68 0.00 4.06 3.95 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 60 A 7.81 4.36 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 61 I 7.68 5.18 1.87 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 1.07 0.00 0.00 62 T 8.83 4.89 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 63 I 8.31 5.15 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 1.16 0.00 0.00 64 E 9.55 4.80 0.00 2.05 1.84 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 2.23 2.29 0.00 65 E 8.91 4.98 0.00 1.84 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 0.00 2.56 2.59 0.00 66 A 8.09 4.24 1.10 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