NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4673 8.1933 115.5578 57.6855 63.9686 172.5093 3 E 3.9541 9.0333 127.8595 56.6989 29.7981 175.2849 4 K 4.9816 9.6733 126.8384 54.4733 36.1156 174.8002 5 A 4.7463 8.7175 125.4958 50.0450 21.4545 175.9286 6 C 4.5978 8.9380 124.0042 59.6467 32.1613 174.6998 7 R 4.0242 8.9029 125.3457 59.0111 29.8866 178.0966 8 H 4.4561 8.4865 115.9585 58.2350 28.7414 175.8410 9 C 4.8290 8.1244 110.2786 57.6668 30.9471 174.7003 10 H 4.2388 8.6917 118.0732 55.5621 27.1670 174.0455 11 Y 3.7194 7.4683 121.4934 57.3752 39.7930 174.2631 12 I 4.3245 6.9313 126.6954 59.9918 39.1018 174.9646 13 T 4.6887 8.7811 120.0074 61.0404 71.0592 174.0055 14 S 4.8067 8.5201 118.5639 57.3540 63.7083 173.9421 15 E 4.3520 7.7914 121.4652 56.1728 30.2135 176.0069 16 D 4.7033 8.4022 117.8202 54.9617 41.5283 177.2068 17 R 4.7097 7.4939 117.5688 53.7473 33.9551 174.5152 18 C 4.0100 9.2673 123.2199 59.4730 31.7564 172.5034 19 P 4.4663 0.0000 0.0000 63.9785 31.7520 177.1845 20 V 3.7164 7.5542 118.7020 64.8368 31.8603 176.1455 21 C 4.4602 7.9537 110.4283 57.3115 30.5317 174.5617 22 G 3.9304 7.9728 108.6303 45.5451 0.0000 174.1749 23 S 4.2033 7.6828 113.9322 58.7258 62.8482 174.3368 24 R 4.5271 8.2784 121.9158 56.2500 31.3757 176.9879 25 D 4.7353 8.4922 120.7237 53.3379 39.1822 173.9423 26 L 5.1371 7.7946 120.2170 52.6152 44.4720 175.9491 27 S 4.8438 8.9175 117.7125 56.6164 64.9792 174.5165 28 E 4.2371 9.1067 124.7736 57.3863 29.8617 175.9161 29 E 4.4353 8.4500 121.9606 54.3342 31.3674 174.4730 30 W 5.3243 7.1409 122.3380 55.4414 31.2486 173.6748 31 F 4.7635 9.3756 119.3582 56.9346 43.2291 171.2463 32 D 4.4258 9.1734 125.2083 54.1879 37.0344 172.2171 33 L 4.9736 8.3826 124.9636 54.5913 43.3320 175.9625 34 V 4.5964 8.7560 118.5287 59.6036 35.4592 174.4207 35 I 4.8372 8.4979 125.2092 59.7010 39.3193 174.8669 36 I 4.2769 9.0191 129.0412 60.1728 38.2587 176.6191 37 V 3.6920 8.6461 127.0109 64.3216 32.1923 175.4039 38 D 4.6991 7.6347 122.1592 51.9268 42.1589 175.7740 39 V 3.6019 8.5373 126.6297 65.7699 31.7937 177.3684 40 E 4.1185 8.2160 115.9770 58.8935 29.6868 177.2938 41 N 4.5149 8.1066 114.6885 53.8327 39.3831 174.8230 42 S 4.4764 7.7650 114.5656 56.9928 63.1160 174.3537 43 E 3.9729 8.7960 128.7659 59.1155 29.4473 178.4084 44 I 3.6328 7.8236 119.3885 64.4165 37.2266 177.9476 45 A 3.8033 8.1365 121.4032 54.9006 17.9970 179.1347 46 K 3.6917 7.6356 116.9674 59.7691 32.2277 178.2027 47 K 4.0351 7.9265 118.3032 59.5255 32.3206 178.2650 48 I 3.9983 7.5295 110.0926 60.9506 37.8269 176.1630 49 G 3.7472 7.8233 108.4169 46.3282 0.0000 173.6031 50 A 3.9207 7.7909 122.3281 51.6356 18.7107 178.4880 51 K 4.5294 8.7169 120.4162 55.7556 34.5544 176.4689 52 V 4.5049 7.5099 118.1355 59.6256 34.0054 173.3412 53 P 4.6280 0.0000 0.0000 62.9886 32.1422 176.9970 54 G 3.7885 7.9618 107.3669 45.8343 0.0000 171.3756 55 K 4.8125 7.5048 119.9240 55.4031 34.1902 175.6315 56 Y 4.9182 8.8931 120.6611 56.1247 42.5945 173.9347 57 A 5.1090 8.7375 123.5123 50.7049 20.8345 177.1552 58 I 3.9826 8.8434 123.4411 64.2747 37.9430 176.6481 59 R 4.6883 8.2594 122.1343 54.7434 31.7294 175.1965 60 V 4.7460 8.5781 124.3101 61.1408 33.5096 175.5787 61 R 4.4092 8.8820 126.1537 56.4485 30.5066 175.2089 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 S 8.19 4.47 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 3.95 0.00 2.31 2.04 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 2.34 2.48 0.00 4 K 9.67 4.98 0.00 1.64 1.68 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.55 7.81 5 A 8.72 4.75 0.77 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 6 C 8.94 4.60 0.00 2.99 2.91 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 0.00 0.00 0.00 0.00 7 R 8.90 4.02 0.00 1.82 1.94 0.00 3.52 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 8 H 8.49 4.46 0.00 3.16 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.12 4.83 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.24 0.00 3.54 4.00 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.47 3.72 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 6.93 4.32 1.28 0.00 0.00 -0.41 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 0.02 0.60 0.00 0.00 13 T 8.78 4.69 4.28 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 1.26 0.00 0.00 14 S 8.52 4.81 0.00 4.00 3.93 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 15 E 7.79 4.35 0.00 2.16 1.94 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 2.33 2.42 0.00 16 D 8.40 4.70 0.00 2.66 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 17 R 7.49 4.71 0.00 1.72 1.76 0.00 3.21 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 18 C 9.27 4.01 0.00 2.91 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 19 P 0.00 4.47 0.00 2.14 2.12 0.00 3.85 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 1.85 2.00 0.00 20 V 7.55 3.72 1.76 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 0.69 0.00 0.00 -0.21 0.00 0.00 21 C 7.95 4.46 0.00 3.05 2.97 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 22 G 7.97 3.93 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 0.00 23 S 7.68 4.20 0.00 3.64 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 24 R 8.28 4.53 0.00 1.83 1.93 0.00 3.26 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 25 D 8.49 4.74 0.00 2.78 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 26 L 7.79 5.14 0.00 1.56 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.92 4.84 0.00 3.87 3.71 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 28 E 9.11 4.24 0.00 2.00 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 2.34 2.32 0.00 29 E 8.45 4.44 0.00 1.99 1.80 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 2.23 2.22 0.00 30 W 7.14 5.32 0.00 3.42 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.38 4.76 0.00 3.02 2.99 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 32 D 9.17 4.43 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.38 4.97 0.00 2.04 1.75 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.76 4.60 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 0.74 0.00 0.00 0.99 0.00 0.00 35 I 8.50 4.84 1.89 0.00 0.00 0.87 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 0.60 0.93 0.00 0.00 36 I 9.02 4.28 2.04 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 1.10 0.82 0.94 0.00 0.00 37 V 8.65 3.69 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 0.79 0.00 0.00 0.95 0.00 0.00 38 D 7.63 4.70 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 3.60 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 0.93 0.00 0.00 0.94 0.00 0.00 40 E 8.22 4.12 0.00 2.11 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 0.00 2.28 2.33 0.00 41 N 8.11 4.51 0.00 2.76 2.90 0.00 0.00 6.93 7.35 0.00 0.00 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 S 7.76 4.48 0.00 3.86 3.73 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 43 E 8.80 3.97 0.00 2.11 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 0.00 2.37 2.45 0.00 44 I 7.82 3.63 1.85 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 1.56 0.41 0.89 0.00 0.00 45 A 8.14 3.80 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 46 K 7.64 3.69 0.00 1.91 1.96 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.44 1.46 7.81 47 K 7.93 4.04 0.00 1.74 1.94 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.48 7.81 48 I 7.53 4.00 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.55 0.86 0.00 0.00 49 G 7.82 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.79 3.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.72 4.53 0.00 1.72 1.84 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.44 7.81 52 V 7.51 4.50 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 0.89 0.00 0.00 53 P 0.00 4.63 0.00 2.29 2.26 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 54 G 7.96 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 0.00 0.00 0.00 55 K 7.50 4.81 0.00 1.26 1.42 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.28 7.81 56 Y 8.89 4.92 0.00 2.75 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 57 A 8.74 5.11 1.02 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 0.00 0.00 58 I 8.84 3.98 2.17 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 1.49 0.92 0.98 0.00 0.00 59 R 8.26 4.69 0.00 2.14 2.08 0.00 3.14 0.00 0.00 3.50 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 60 V 8.58 4.75 2.04 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 0.86 0.00 0.00 0.76 0.00 0.00 61 R 8.88 4.41 0.00 1.86 1.88 0.00 3.52 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.08 0.00