NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6856 8.2076 120.2094 54.2952 43.7959 177.2868 4 K 3.7657 7.7779 118.3273 59.3394 32.8580 177.9211 5 W 4.3375 8.3806 121.5692 59.5504 29.5253 179.4657 6 A 4.2555 8.2104 120.3792 55.2609 17.9054 179.4834 7 S 4.2341 8.8566 112.1486 61.2376 62.3265 176.2222 8 L 4.0825 7.8289 123.5522 57.6391 41.8191 178.3932 9 W 4.6720 8.6010 128.5040 60.8408 30.5458 177.3473 10 N 4.1136 8.4477 116.7516 56.5409 38.4546 176.5889 11 W 3.9560 8.4559 129.7717 60.2958 30.6969 177.8013 12 F 4.1565 8.8953 121.0578 61.3219 38.8955 176.9590 13 N 4.0703 8.2455 116.2857 56.2482 38.2816 177.4511 14 I 3.6766 7.8356 121.3928 64.6601 37.1883 178.6998 15 T 3.7721 7.6625 116.3974 66.7027 68.1627 176.4643 16 N 4.1603 7.9446 118.6511 55.9195 38.4778 177.2475 17 W 4.3582 8.4035 129.7097 60.6738 30.7628 178.1018 18 L 3.8339 8.0651 118.8795 57.4247 40.9558 179.6168 19 W 3.9160 8.6303 118.9631 59.7942 28.9936 177.5442 20 Y 4.0907 8.2457 119.8082 61.0645 37.9576 178.5106 21 I 3.1238 7.1758 120.1059 64.1115 37.0397 178.7042 22 K 3.7772 7.4607 119.0516 59.4682 31.9208 179.5938 23 I 3.6296 7.8346 120.3733 64.3368 36.8442 178.3717 24 E 3.8321 7.8254 119.4202 58.9251 29.2072 178.9180 25 E 3.8150 7.7070 119.8528 58.9982 29.6302 178.8474 26 L 3.9112 7.5208 118.8893 57.5468 41.7120 179.3470 27 K 3.8960 7.9685 119.6021 59.5907 32.1461 178.9939 28 S 4.0959 8.2482 115.6590 61.6098 62.8209 176.8351 29 K 3.9626 7.9532 120.9434 59.5586 31.6656 179.4782 30 I 3.7974 7.7005 120.1694 63.9181 36.9415 178.4158 31 K 3.9213 7.8796 120.7491 59.3860 31.9719 178.9464 32 R 3.9163 8.0971 119.0742 59.2985 29.9842 178.6529 33 I 3.6640 7.6266 119.1265 64.3584 37.0874 177.8647 34 E 3.9125 8.2472 119.5772 59.8375 29.2422 179.2172 35 N 4.2712 8.4917 116.4364 56.4136 38.6073 177.1230 36 E 3.8962 8.4280 120.6155 59.2545 29.8061 178.6421 37 I 3.6280 8.1591 120.2476 64.5728 37.0257 178.0354 38 K 3.8157 7.9842 118.8475 59.8362 31.8934 178.2166 39 R 4.0800 7.5147 117.8973 59.1681 30.0921 178.1926 40 I 3.9098 7.5510 119.0956 63.2117 37.6701 177.0943 41 K 4.5401 7.7480 119.4909 55.1634 32.1424 176.6179 42 K 4.0736 7.6855 124.7159 57.0055 32.0647 174.7294 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 8.21 4.69 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 3.77 0.00 1.86 1.90 0.00 1.08 0.00 0.00 1.56 0.00 0.00 2.28 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.16 0.65 7.81 5 W 8.38 4.34 0.00 3.44 3.21 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 0.00 0.00 0.00 0.00 6 A 8.21 4.26 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.23 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.08 0.00 1.89 1.98 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.60 4.67 0.00 3.51 3.38 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 10 N 8.45 4.11 0.00 2.99 3.17 0.00 0.00 6.93 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.46 3.96 0.00 3.79 3.30 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 0.00 0.00 0.00 0.00 12 F 8.90 4.16 0.00 3.45 3.33 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 13 N 8.25 4.07 0.00 2.41 2.52 0.00 0.00 7.07 7.67 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 14 I 7.84 3.68 1.62 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.77 0.00 0.00 15 T 7.66 3.77 4.01 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 0.00 0.00 0.33 0.00 0.00 16 N 7.94 4.16 0.00 2.47 2.73 0.00 0.00 6.71 8.20 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 17 W 8.40 4.36 0.00 3.34 3.24 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 18 L 8.07 3.83 0.00 1.97 1.75 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.63 3.92 0.00 3.45 3.01 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 0.00 0.00 0.00 20 Y 8.25 4.09 0.00 3.11 2.99 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 0.00 0.00 0.00 21 I 7.18 3.12 1.62 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.28 0.67 0.00 0.00 22 K 7.46 3.78 0.00 1.55 1.58 0.00 1.47 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.30 7.81 23 I 7.83 3.63 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.85 0.00 0.00 24 E 7.83 3.83 0.00 1.67 1.72 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 1.47 1.66 0.00 25 E 7.71 3.82 0.00 1.83 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 2.19 2.25 0.00 26 L 7.52 3.91 0.00 1.75 1.63 0.84 0.96 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 27 K 7.97 3.90 0.00 2.01 1.88 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.50 7.81 28 S 8.25 4.10 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.95 3.96 0.00 1.97 1.82 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.59 7.81 30 I 7.70 3.80 1.99 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 1.50 0.85 0.90 0.00 0.00 31 K 7.88 3.92 0.00 2.02 1.95 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 32 R 8.10 3.92 0.00 1.91 2.18 0.00 3.12 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 1.61 1.65 0.00 33 I 7.63 3.66 1.99 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 1.51 0.42 0.90 0.00 0.00 34 E 8.25 3.91 0.00 2.22 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 2.50 0.00 35 N 8.49 4.27 0.00 2.83 2.87 0.00 0.00 6.75 7.30 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 36 E 8.43 3.90 0.00 2.06 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 0.00 2.30 2.38 0.00 37 I 8.16 3.63 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 1.40 0.88 0.91 0.00 0.00 38 K 7.98 3.82 0.00 1.92 2.00 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 39 R 7.51 4.08 0.00 1.89 2.09 0.00 3.31 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 40 I 7.55 3.91 2.00 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 0.64 0.91 0.00 0.00 41 K 7.75 4.54 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 42 K 7.69 4.07 0.00 1.73 1.88 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.43 7.81