NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3114 8.1133 120.8598 56.6087 32.2341 177.5575 2 M 3.9231 7.9539 117.3910 57.2577 31.8429 176.9768 3 K 3.9216 8.7916 120.6833 59.5415 32.8843 178.1418 4 Q 4.0070 8.1515 117.8434 59.2971 28.5602 179.2557 5 I 3.7155 7.8059 120.3976 64.4107 37.1292 178.3408 6 E 3.9503 8.5218 119.8231 59.5089 29.3976 179.0316 7 D 4.7517 8.4814 120.5732 56.7777 40.8937 179.1459 8 K 3.9795 8.0533 118.7753 59.5429 31.9982 179.3749 9 I 3.7069 7.9666 120.1825 64.5294 36.8959 178.2268 10 E 4.2323 8.2703 120.6909 59.0104 29.2696 179.4021 11 E 4.0036 8.1431 118.0776 59.2063 29.4083 179.4218 12 I 3.7032 7.8041 119.9545 64.4187 36.7013 178.2619 13 E 3.9385 8.4659 119.7151 59.3710 29.3042 179.1600 14 S 4.0887 8.0409 113.0658 61.4804 62.3669 176.0124 15 K 3.8563 8.1240 122.0765 59.7510 31.8356 178.4020 16 Q 3.9461 8.4622 120.0044 59.1344 28.9278 178.3909 17 K 4.1633 8.2027 119.6266 59.0709 32.0635 179.1145 18 K 3.8709 8.0857 120.0275 59.6453 32.0214 178.8555 19 I 3.7012 8.0071 120.1104 64.4852 37.0794 178.1222 20 E 3.9599 8.5447 119.7780 59.7628 29.3360 179.3743 21 N 4.4024 8.4014 116.3607 56.1207 38.5501 177.4353 22 E 3.9482 8.2873 120.1028 59.5744 29.5386 179.4668 23 I 3.7225 8.1435 119.9482 64.1316 37.0949 178.3199 24 A 3.9746 8.1069 121.6892 55.2551 18.2228 179.8464 25 R 3.8679 7.9153 116.4128 59.4167 30.0897 179.3754 26 I 3.6717 7.8506 119.4214 64.4653 37.1089 178.6239 27 K 3.9908 8.2393 119.3718 59.4581 31.9086 179.5872 28 K 3.9561 8.1202 118.7965 59.3298 31.9693 179.2224 29 L 3.9946 7.9542 120.7149 57.8761 41.9920 178.6682 30 L 3.9695 8.3487 120.8707 58.1386 42.0152 178.5581 31 Q 4.0043 8.3142 119.6383 59.3229 28.8269 178.5757 32 L 4.0405 7.7746 119.6083 58.0469 41.6217 179.6419 33 T 3.9625 8.0840 109.8517 64.6291 68.7535 176.7288 34 V 3.5825 8.0550 121.2197 65.5911 31.4990 177.7575 35 W 4.2227 8.3673 128.1225 60.5195 30.5754 178.1683 36 G 3.5929 8.7621 105.9800 47.7912 0.0000 175.7628 37 I 3.6817 8.0079 122.4305 64.0152 37.2588 178.3719 38 K 3.7968 8.0078 120.3984 59.5170 31.9184 178.8981 39 Q 3.6445 7.7793 118.3285 58.7375 28.5057 178.5918 40 L 3.8789 7.7078 119.9389 57.7183 41.5730 179.2700 41 Q 3.8687 8.1948 119.3509 59.2844 28.7792 178.2175 42 A 3.9113 7.5045 119.9297 55.1569 18.3898 179.3464 43 R 3.9411 7.6076 116.5090 59.5791 30.3182 178.5636 44 I 3.9109 7.7160 111.5843 63.4347 37.8158 176.3475 45 L 4.2800 8.0083 124.8624 54.8768 41.6931 176.4692 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 R 8.11 4.31 0.00 1.90 1.99 0.00 3.39 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 2 M 7.95 3.92 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 3 K 8.79 3.92 0.00 1.82 1.80 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.65 1.53 7.81 4 Q 8.15 4.01 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 5 I 7.81 3.72 2.01 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 1.52 0.72 0.91 0.00 0.00 6 E 8.52 3.95 0.00 2.10 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 2.44 0.00 7 D 8.48 4.75 0.00 2.84 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 8 K 8.05 3.98 0.00 2.02 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 9 I 7.97 3.71 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 1.52 0.87 0.91 0.00 0.00 10 E 8.27 4.23 0.00 2.18 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 2.54 0.00 11 E 8.14 4.00 0.00 2.18 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 2.33 2.34 0.00 12 I 7.80 3.70 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 1.52 0.81 0.91 0.00 0.00 13 E 8.47 3.94 0.00 2.14 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 2.46 0.00 14 S 8.04 4.09 0.00 3.90 4.06 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 15 K 8.12 3.86 0.00 1.91 1.95 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 16 Q 8.46 3.95 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 17 K 8.20 4.16 0.00 2.04 1.84 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.59 7.81 18 K 8.09 3.87 0.00 1.83 2.02 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 I 8.01 3.70 2.00 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 1.52 0.66 0.91 0.00 0.00 20 E 8.54 3.96 0.00 2.12 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 2.49 0.00 21 N 8.40 4.40 0.00 2.86 2.86 0.00 0.00 7.06 7.17 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 22 E 8.29 3.95 0.00 2.21 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 2.33 2.51 0.00 23 I 8.14 3.72 1.87 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 1.46 0.75 0.91 0.00 0.00 24 A 8.11 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 25 R 7.92 3.87 0.00 2.15 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 26 I 7.85 3.67 2.01 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 1.52 0.85 0.92 0.00 0.00 27 K 8.24 3.99 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 28 K 8.12 3.96 0.00 1.96 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 29 L 7.95 3.99 0.00 1.78 1.80 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.35 3.97 0.00 1.95 1.66 0.93 0.61 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 Q 8.31 4.00 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 32 L 7.77 4.04 0.00 1.97 1.74 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.08 3.96 4.28 0.00 0.00 0.00 0.00 0.00 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 34 V 8.06 3.58 2.30 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 1.03 0.00 0.00 1.04 0.00 0.00 35 W 8.37 4.22 0.00 3.55 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 36 G 8.76 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.01 3.68 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.89 0.00 0.00 38 K 8.01 3.80 0.00 1.89 1.73 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 39 Q 7.78 3.64 0.00 1.63 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 40 L 7.71 3.88 0.00 1.78 1.67 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.19 3.87 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 42 A 7.50 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.61 3.94 0.00 1.93 2.03 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 44 I 7.72 3.91 1.85 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 1.76 0.68 0.92 0.00 0.00 45 L 8.01 4.28 0.00 1.60 1.60 0.90 1.11 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