NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4779 8.1633 120.3263 55.1054 33.8299 176.0600 2 T 3.7034 8.5335 117.8615 65.3433 68.4842 175.1971 3 I 3.7064 8.6505 115.7777 64.3587 37.6344 177.4449 4 D 4.5038 7.9733 120.0369 57.0828 40.5854 178.5096 5 E 3.9632 8.2499 119.3517 59.3929 29.3513 179.4883 6 I 3.7483 7.6319 119.3792 64.4897 37.3473 178.4313 7 I 3.7051 8.2885 120.9974 64.3095 36.3339 178.3508 8 E 4.3115 8.6918 120.9184 58.5090 29.0844 179.0333 9 A 4.0873 7.8092 120.2481 54.7972 18.7118 179.5274 10 I 3.8623 8.0862 118.9273 64.5978 36.7923 178.2842 11 E 4.0077 8.2700 119.3609 59.3482 29.0460 179.2419 12 K 4.1836 7.5926 115.9594 57.1005 32.7026 177.6385 13 L 4.2404 7.1312 119.8719 54.5705 42.3007 177.6674 14 T 4.2258 8.6296 113.3629 61.2356 70.9857 176.0630 15 V 3.6287 8.2306 120.3986 66.0377 31.5740 178.0468 16 S 4.2024 7.9868 113.7466 61.2596 62.9937 176.2151 17 E 3.9932 7.9526 121.6754 59.0231 29.1499 178.8448 18 L 3.9656 8.1253 120.2578 58.1282 42.1150 178.9536 19 A 4.0090 8.0051 120.6473 54.8865 18.1488 179.4495 20 E 3.9932 8.0391 117.3532 59.0986 29.5008 178.9615 21 L 3.9203 8.2072 120.9310 58.2514 42.2265 179.0723 22 V 3.5711 8.0813 118.3835 65.8541 31.4147 177.8150 23 K 3.8879 8.0720 119.1238 59.6566 32.1827 178.8268 24 K 4.0057 8.3219 118.9127 59.5361 31.8786 179.4137 25 L 4.1860 8.2104 119.2767 57.9469 41.6220 179.4290 26 E 4.1395 8.7777 119.0112 59.3772 29.0028 179.0786 27 D 4.3924 8.8194 119.4682 57.2134 40.6369 178.7305 28 K 3.9369 7.9275 118.8967 58.5771 32.1740 177.9213 29 F 4.5811 8.0452 115.8118 56.0915 39.9147 175.7319 30 G 4.0686 7.6811 104.9649 46.3355 0.0000 174.6312 31 V 3.9467 7.5771 117.6364 62.3819 32.3907 174.9915 32 T 4.6552 8.0259 113.6528 59.6096 71.7978 172.9651 33 A 4.1917 8.4955 125.6063 52.4023 19.5387 176.7010 34 A 3.8399 8.8468 126.0538 52.0655 18.3602 177.5367 35 A 3.9796 8.5083 124.5635 52.1919 18.8246 175.2706 36 P 4.3600 0.0000 0.0000 65.4106 31.5595 177.0483 37 V 4.3292 7.3021 108.3220 58.7815 33.9999 175.5915 38 A 4.0220 8.4418 124.7065 53.0798 18.3734 177.9891 39 V 3.9416 8.6338 115.1031 61.9694 32.1763 176.0341 40 A 4.1810 7.1944 128.7160 51.9983 18.5096 177.1081 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 2.09 2.26 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 2 T 8.53 3.70 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 3 I 8.65 3.71 1.86 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 1.63 0.94 0.90 0.00 0.00 4 D 7.97 4.50 0.00 2.89 2.75 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 5 E 8.25 3.96 0.00 2.13 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 2.52 2.49 0.00 6 I 7.63 3.75 2.02 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 1.64 0.83 0.91 0.00 0.00 7 I 8.29 3.71 1.99 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 1.51 1.02 0.91 0.00 0.00 8 E 8.69 4.31 0.00 2.17 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 2.32 2.42 0.00 9 A 7.81 4.09 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 10 I 8.09 3.86 2.00 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 1.52 0.76 0.91 0.00 0.00 11 E 8.27 4.01 0.00 2.16 2.01 0.00 0.00 0.00 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 2.74 0.00 12 K 7.59 4.18 0.00 1.75 1.86 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.47 7.81 13 L 7.13 4.24 0.00 1.78 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.63 4.23 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 15 V 8.23 3.63 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 1.08 0.00 0.00 0.93 0.00 0.00 16 S 7.99 4.20 0.00 4.09 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 17 E 7.95 3.99 0.00 2.20 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 2.31 0.00 18 L 8.13 3.97 0.00 1.76 1.83 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.01 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 3.99 0.00 2.18 2.01 0.00 0.00 0.00 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 2.46 0.00 21 L 8.21 3.92 0.00 1.88 1.83 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.08 3.57 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 0.96 0.00 0.00 23 K 8.07 3.89 0.00 1.98 1.99 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.50 7.81 24 K 8.32 4.01 0.00 2.06 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.77 7.81 25 L 8.21 4.19 0.00 1.88 1.74 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.78 4.14 0.00 2.07 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 2.35 2.56 0.00 27 D 8.82 4.39 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 3.94 0.00 1.87 2.07 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.79 1.27 7.81 29 F 8.05 4.58 0.00 3.03 3.10 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 30 G 7.68 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.58 3.95 2.14 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 0.83 0.00 0.00 0.97 0.00 0.00 32 T 8.03 4.66 4.25 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 1.27 0.00 0.00 33 A 8.50 4.19 1.27 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 0.00 0.00 0.00 34 A 8.85 3.84 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.51 3.98 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 36 P 0.00 4.36 0.00 2.05 2.15 0.00 3.65 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 2.04 2.14 0.00 37 V 7.30 4.33 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 0.71 0.00 0.00 0.93 0.00 0.00 38 A 8.44 4.02 1.25 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 0.00 0.00 39 V 8.63 3.94 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 0.93 0.00 0.00 40 A 7.19 4.18 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00