NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6907 8.2233 120.2164 54.3020 43.4044 177.3301 4 K 3.7562 8.2075 118.3226 58.4658 31.8143 177.3542 5 W 4.1542 8.6725 130.0872 60.5571 31.0128 177.4576 6 A 3.3448 7.9396 120.1252 54.9695 17.9482 179.6248 7 S 4.0510 8.4528 114.1850 61.5688 62.7996 176.7444 8 L 3.9386 8.0266 123.1064 57.7419 41.8299 178.6308 9 W 4.1971 8.5100 129.3886 60.5215 30.4479 177.3616 10 N 3.9958 8.2898 117.0475 56.3823 38.3489 176.5773 11 W 4.3460 8.5132 129.8929 60.5802 30.8097 177.8966 12 F 4.1973 8.7777 118.1377 60.7408 38.3204 177.4691 13 N 4.1159 7.8281 116.0502 55.9588 38.2409 177.3899 14 I 3.5170 7.6495 121.4941 64.7659 37.2271 178.4659 15 T 3.5569 7.3567 116.1961 66.6806 68.1816 176.2828 16 N 4.5257 8.2439 118.8875 56.2580 38.9572 176.6526 17 W 4.1937 8.4019 129.9727 60.5844 30.9584 177.9939 18 L 3.6610 8.1287 118.8967 57.4358 40.9093 179.6132 19 W 3.8863 8.1411 118.9885 59.5951 28.9254 177.9680 20 Y 4.0192 8.3055 119.8629 60.8958 38.2930 178.2723 21 I 3.3925 7.4885 120.6479 63.9794 37.0862 178.4600 22 K 3.7646 7.6651 120.0868 59.5998 31.9736 179.0879 23 I 3.7557 7.9405 120.3129 64.2532 36.9836 178.2920 24 E 3.7304 7.9996 119.7042 59.0367 29.0880 179.0466 25 E 3.7797 7.9801 119.3783 59.1615 29.6751 178.5477 26 L 3.9157 7.8221 119.0313 58.1024 41.7729 179.7484 27 K 3.8717 8.2290 118.3068 59.4407 31.8396 179.4526 28 S 4.0311 7.8758 113.2964 61.3083 62.4047 176.2218 29 K 3.8968 8.1554 121.3587 59.6099 31.8098 179.3048 30 I 3.6752 8.0437 120.3033 64.2076 36.9936 178.4225 31 K 4.0791 8.1463 120.3777 59.5483 32.0511 179.0036 32 R 3.9072 8.1394 118.4405 59.4209 30.0293 178.9931 33 I 3.7029 7.6892 119.4414 64.5771 37.0610 178.3999 34 E 4.0051 8.2985 119.2968 59.4160 29.2691 179.1447 35 N 4.3345 8.3383 116.6826 56.1788 38.4850 177.1295 36 E 3.9310 8.2393 120.8149 59.2695 29.7416 178.9512 37 I 3.6918 7.8489 119.8600 64.3556 36.9524 178.5217 38 K 3.9568 7.9767 118.2593 59.3224 32.0129 179.1256 39 R 4.0048 8.0169 118.9126 59.4831 29.8559 178.2700 40 I 3.6855 7.6259 118.4412 64.6259 37.3320 177.8887 41 K 4.2455 7.7566 115.3050 56.9755 32.1947 177.5880 42 K 4.2317 7.5563 125.3192 56.7475 32.2688 175.8610 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 3 D 8.22 4.69 0.00 2.78 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 4 K 8.21 3.76 0.00 1.98 1.92 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.58 7.81 5 W 8.67 4.15 0.00 3.30 3.20 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 0.00 0.00 0.00 0.00 6 A 7.94 3.34 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.05 0.00 3.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.94 0.00 1.85 1.61 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.51 4.20 0.00 2.68 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 N 8.29 4.00 0.00 2.93 2.92 0.00 0.00 6.88 8.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.51 4.35 0.00 3.55 3.39 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 12 F 8.78 4.20 0.00 3.21 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 13 N 7.83 4.12 0.00 2.46 2.52 0.00 0.00 7.03 7.57 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 14 I 7.65 3.52 1.65 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.48 0.53 0.00 0.00 15 T 7.36 3.56 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 1.28 0.00 0.00 16 N 8.24 4.53 0.00 2.99 2.81 0.00 0.00 6.90 7.47 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 17 W 8.40 4.19 0.00 3.46 3.42 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 18 L 8.13 3.66 0.00 1.72 1.41 0.78 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.14 3.89 0.00 3.55 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.31 4.02 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 21 I 7.49 3.39 1.35 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 1.08 -0.07 0.61 0.00 0.00 22 K 7.67 3.76 0.00 1.67 1.84 0.00 1.11 0.00 0.00 1.39 0.00 0.00 2.68 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.35 1.33 7.81 23 I 7.94 3.76 1.96 0.00 0.00 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 1.59 0.69 0.85 0.00 0.00 24 E 8.00 3.73 0.00 1.63 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 0.00 1.47 1.59 0.00 25 E 7.98 3.78 0.00 2.05 2.02 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 2.24 2.27 0.00 26 L 7.82 3.92 0.00 1.85 1.69 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.23 3.87 0.00 1.87 1.82 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.58 7.81 28 S 7.88 4.03 0.00 3.90 4.02 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 29 K 8.16 3.90 0.00 1.96 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.64 7.81 30 I 8.04 3.68 1.97 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 1.39 1.00 0.89 0.00 0.00 31 K 8.15 4.08 0.00 1.93 2.00 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 32 R 8.14 3.91 0.00 1.91 1.95 0.00 3.22 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 33 I 7.69 3.70 2.01 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 1.05 0.90 0.00 0.00 34 E 8.30 4.01 0.00 2.16 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 2.32 2.49 0.00 35 N 8.34 4.33 0.00 2.90 2.86 0.00 0.00 6.65 7.27 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 36 E 8.24 3.93 0.00 2.09 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 2.30 2.39 0.00 37 I 7.85 3.69 1.86 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 0.53 0.91 0.00 0.00 38 K 7.98 3.96 0.00 1.88 1.87 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 39 R 8.02 4.00 0.00 2.07 2.15 0.00 3.12 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 40 I 7.63 3.69 2.05 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 1.74 0.91 0.91 0.00 0.00 41 K 7.76 4.25 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.63 7.81 42 K 7.56 4.23 0.00 1.89 1.82 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81