NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4407 8.3044 118.1920 55.1067 32.5923 174.0131 2 R 4.2172 8.0200 118.0318 53.9128 32.6767 173.3183 3 A 4.4597 9.1801 129.5838 51.3274 23.0272 176.6532 4 K 3.8170 8.6139 121.6266 57.5075 30.8771 179.5233 5 W 4.1403 8.8319 130.2746 60.3001 29.5959 177.1141 6 K 4.0339 8.0794 118.0361 59.4508 31.7066 179.0555 7 K 4.2433 7.9324 116.9732 57.9964 32.4231 179.2863 8 K 4.0077 7.9221 119.2889 59.2942 32.0035 179.4828 9 R 4.0053 8.0666 118.4238 59.5199 29.9858 179.0402 10 M 4.0989 7.9240 118.3272 58.3642 31.9633 178.8520 11 R 3.9080 8.0197 118.9360 59.4622 30.2750 178.8381 12 R 3.9934 7.8832 117.6011 59.0428 29.9363 179.0685 13 L 4.0363 8.0851 118.9737 57.7513 41.6189 179.5928 14 K 4.0331 8.2838 118.3255 59.1227 31.9341 179.7059 15 R 3.9482 8.0933 118.7072 58.7136 29.8961 178.8453 16 K 3.9163 8.5211 119.9790 59.6375 32.0782 178.8911 17 R 4.1000 7.9006 116.2636 58.0729 29.9611 178.9120 18 R 4.0850 8.1703 118.8896 59.2363 30.1023 179.0219 19 K 4.0971 8.4207 118.4610 59.2921 32.1842 178.3197 20 M 4.6678 8.0030 115.2067 54.6481 32.0943 176.4479 21 R 4.6709 7.6281 116.2746 55.9427 31.2728 175.3241 22 Q 4.4489 7.7845 114.2204 57.7785 30.3019 177.1792 23 R 3.9930 7.9568 117.9004 58.2323 30.6036 177.9695 24 S 5.0211 7.6741 108.0987 57.5090 64.6505 174.3844 25 K 4.1482 7.5792 125.7354 57.5192 32.3309 176.6594 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 8.30 4.44 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 2 R 8.02 4.22 0.00 1.77 1.74 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 3 A 9.18 4.46 1.24 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 0.00 0.00 0.00 4 K 8.61 3.82 0.00 1.33 0.74 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.37 7.81 5 W 8.83 4.14 0.00 3.43 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.03 0.00 1.83 1.89 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.63 7.81 7 K 7.93 4.24 0.00 1.76 1.82 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.51 7.81 8 K 7.92 4.01 0.00 2.00 1.85 0.00 1.08 0.00 0.00 1.43 0.00 0.00 2.51 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.45 7.81 9 R 8.07 4.01 0.00 2.15 2.02 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 10 M 7.92 4.10 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 11 R 8.02 3.91 0.00 2.01 1.91 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 12 R 7.88 3.99 0.00 2.03 1.98 0.00 3.20 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 13 L 8.09 4.04 0.00 1.94 1.72 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.28 4.03 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.54 7.81 15 R 8.09 3.95 0.00 2.01 1.97 0.00 3.29 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 16 K 8.52 3.92 0.00 1.84 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.63 7.81 17 R 7.90 4.10 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 18 R 8.17 4.09 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 19 K 8.42 4.10 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 20 M 8.00 4.67 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 21 R 7.63 4.67 0.00 1.76 1.87 0.00 3.11 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 22 Q 7.78 4.45 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 7.09 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 23 R 7.96 3.99 0.00 1.91 1.88 0.00 3.06 0.00 0.00 3.35 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 24 S 7.67 5.02 0.00 4.10 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 25 K 7.58 4.15 0.00 1.72 1.84 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.53 7.81