NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4559 8.2893 120.3258 55.4378 33.5207 174.8565 2 K 4.3233 8.0138 120.1983 56.5538 33.2516 177.0822 3 D 4.3225 8.0310 121.7323 57.1806 43.1019 178.6660 4 L 4.6984 7.7719 116.7070 54.9760 44.0919 178.4262 5 M 4.0423 8.1334 118.5410 58.4513 30.3826 177.6929 6 S 4.3566 8.1883 110.8553 59.1897 62.4753 174.5994 7 L 4.4388 8.0003 121.6810 56.3885 42.4485 177.8495 8 V 3.9631 7.5111 118.6106 64.4879 32.0651 178.0081 9 I 3.8125 7.5120 119.0343 63.2187 37.9101 177.2906 10 A 3.9542 7.4946 120.4385 54.5701 18.1572 177.7209 11 P 4.3156 0.0000 0.0000 66.1176 31.6309 178.4196 12 I 3.6846 7.5213 113.3682 64.1054 36.9881 176.8136 13 F 3.9744 8.2991 122.8763 60.6600 39.1864 176.9121 14 V 3.7560 8.2330 117.4898 65.8354 31.1447 178.6022 15 G 3.7044 8.4056 105.4074 47.0423 0.0000 175.6332 16 L 4.2954 7.6400 120.2110 56.8337 42.1331 179.2327 17 V 3.6297 7.8363 118.5242 65.9693 31.7438 177.9125 18 L 3.9879 7.7118 118.2162 58.0656 41.4338 179.6820 19 E 3.9918 7.7041 118.7456 59.3361 29.2301 178.4680 20 M 3.9233 7.9280 118.2956 58.8810 32.2988 178.0014 21 I 3.9150 7.6553 117.9439 63.4412 38.1693 177.5608 22 S 4.1704 7.6677 114.0984 61.4319 62.8753 176.6299 23 R 4.0488 7.9702 121.6850 59.1028 29.6767 178.8856 24 V 3.7761 7.0932 116.8235 66.0393 31.4837 177.7552 25 L 4.2279 7.6036 117.2130 56.9635 41.4042 177.8969 26 D 4.6298 8.3312 118.2655 53.9792 42.1164 175.9005 27 E 4.4241 7.9109 117.5996 54.6897 27.4081 175.2576 28 E 4.1630 7.3373 120.3977 56.5042 30.8970 176.3865 29 D 5.0100 7.6443 121.0923 52.8721 44.1555 175.8302 30 D 4.5575 8.5235 122.0819 55.2827 42.0298 176.7902 31 S 4.5517 7.2843 109.9340 58.1086 66.1713 176.2181 32 R 4.3193 8.6010 123.2147 54.9231 30.5387 176.6424 33 K 4.1210 8.5737 123.3441 56.5574 32.2296 176.1971 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 8.29 4.46 0.00 2.02 2.06 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 2.50 2.53 0.00 2 K 8.01 4.32 0.00 2.11 1.97 0.00 1.41 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.54 7.81 3 D 8.03 4.32 0.00 2.65 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 4 L 7.77 4.70 0.00 1.75 1.64 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 M 8.13 4.04 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.61 0.00 6 S 8.19 4.36 0.00 3.89 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 7 L 8.00 4.44 0.00 1.62 1.84 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.51 3.96 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 0.87 0.00 0.00 0.95 0.00 0.00 9 I 7.51 3.81 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.86 0.00 0.00 10 A 7.49 3.95 1.38 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 0.00 0.00 0.00 11 P 0.00 4.32 0.00 2.30 2.34 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 12 I 7.52 3.68 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 1.01 0.00 0.00 13 F 8.30 3.97 0.00 3.43 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.23 3.76 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 0.94 0.00 0.00 1.07 0.00 0.00 15 G 8.41 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 0.00 0.00 0.00 16 L 7.64 4.30 0.00 1.75 1.59 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.84 3.63 2.05 0.00 0.00 0.00 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 0.77 0.00 0.00 18 L 7.71 3.99 0.00 1.89 1.73 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.70 3.99 0.00 2.33 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 0.00 2.31 2.37 0.00 20 M 7.93 3.92 0.00 2.10 2.17 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 2.57 2.54 0.00 21 I 7.66 3.91 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 1.69 1.46 0.99 0.00 0.00 22 S 7.67 4.17 0.00 4.08 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 0.00 23 R 7.97 4.05 0.00 1.94 2.21 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 24 V 7.09 3.78 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 0.78 0.00 0.00 1.02 0.00 0.00 25 L 7.60 4.23 0.00 1.95 1.72 0.92 0.74 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 26 D 8.33 4.63 0.00 2.50 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 4.42 0.00 2.06 1.89 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 2.23 2.37 0.00 28 E 7.34 4.16 0.00 1.95 1.87 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 2.31 2.32 0.00 29 D 7.64 5.01 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.56 0.00 2.62 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 31 S 7.28 4.55 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 4.32 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 33 K 8.57 4.12 0.00 1.71 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.37 7.81