NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4037 8.1627 120.3486 54.6438 34.5536 176.6633 2 K 3.6494 8.1945 119.4478 59.7004 31.9875 173.1337 3 V 3.6024 8.5108 119.3689 65.9132 31.9236 177.4896 4 K 3.9866 8.0045 117.8051 59.6176 31.8955 179.2116 5 Q 3.9966 8.3461 118.4553 58.8392 28.5317 178.7115 6 L 4.0052 8.1113 120.1369 57.7665 41.6412 179.2482 7 E 3.9628 8.5725 118.9895 59.6028 29.4006 179.2579 8 D 4.3264 8.4099 118.7775 57.1541 40.8792 178.5155 9 A 3.9953 8.1507 121.3983 55.2004 18.2896 179.7809 10 V 3.5369 8.0828 116.9249 66.3345 31.5998 178.0339 11 E 3.9503 8.3369 118.2362 59.5288 29.1800 179.3228 12 E 4.0099 8.3268 118.6166 59.3306 29.4728 179.3596 13 L 4.0333 8.1172 119.1099 57.6919 41.6146 179.4154 14 L 4.0079 8.2397 119.2660 58.0555 41.5638 179.8964 15 S 4.1567 8.1890 114.7904 61.4058 62.8131 176.4338 16 A 4.0876 8.4380 123.9344 55.4726 18.0721 179.5050 17 N 4.3439 8.4706 115.0174 56.3559 38.5831 176.8370 18 Y 4.3193 8.2746 121.1661 61.4059 38.8259 178.2712 19 H 4.0046 8.3530 116.8519 58.6872 28.6929 177.8719 20 L 3.9784 8.1057 120.9057 57.7076 41.3634 179.1453 21 E 3.9196 8.4913 118.9784 59.6491 29.3540 179.2946 22 N 4.1562 7.9098 115.9946 56.0953 38.5826 177.2596 23 A 3.9296 8.0551 122.2258 55.1921 18.4967 179.7425 24 V 3.5021 8.0964 116.8240 66.0572 31.5365 178.0411 25 A 3.9652 8.1405 120.4879 55.3256 18.2593 179.7679 26 R 3.8671 8.0959 116.6052 59.5144 30.0998 179.2989 27 L 4.1255 8.0591 118.4797 57.2112 41.4218 179.5970 28 K 3.9532 7.9586 118.1677 59.1461 32.0368 178.8013 29 K 4.0306 7.6190 118.4773 59.3378 32.1877 178.1181 30 L 4.0854 7.6243 119.1802 58.3638 42.1423 177.6269 31 V 3.9248 7.7412 115.0756 61.6487 31.6296 175.9166 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 4.40 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 2 K 8.19 3.65 0.00 1.94 1.80 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 3 V 8.51 3.60 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 4 K 8.00 3.99 0.00 1.95 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 5 Q 8.35 4.00 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 6 L 8.11 4.01 0.00 1.82 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.57 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 2.33 2.52 0.00 8 D 8.41 4.33 0.00 2.92 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 9 A 8.15 4.00 1.39 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 0.00 0.00 10 V 8.08 3.54 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.00 0.00 0.00 11 E 8.34 3.95 0.00 2.17 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 2.54 2.49 0.00 12 E 8.33 4.01 0.00 2.15 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 2.55 2.50 0.00 13 L 8.12 4.03 0.00 1.84 1.73 0.93 0.51 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 14 L 8.24 4.01 0.00 1.84 1.72 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.19 4.16 0.00 4.08 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 16 A 8.44 4.09 1.42 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 0.00 0.00 17 N 8.47 4.34 0.00 2.93 2.92 0.00 0.00 6.68 7.05 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 18 Y 8.27 4.32 0.00 3.05 3.17 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 0.00 19 H 8.35 4.00 0.00 3.27 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.11 3.98 0.00 1.70 1.71 0.93 0.69 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 21 E 8.49 3.92 0.00 2.10 1.95 0.00 0.00 0.00 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 2.54 0.00 22 N 7.91 4.16 0.00 2.73 2.71 0.00 0.00 6.93 6.74 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 23 A 8.06 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 3.50 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 25 A 8.14 3.97 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 26 R 8.10 3.87 0.00 1.91 1.98 0.00 3.26 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 27 L 8.06 4.13 0.00 1.69 1.70 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.96 3.95 0.00 1.72 1.86 0.00 1.70 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 1.65 7.81 29 K 7.62 4.03 0.00 1.83 2.05 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 30 L 7.62 4.09 0.00 1.83 1.84 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.74 3.92 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 0.85 0.00 0.00 0.98 0.00 0.00