NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3038 8.1133 120.8597 56.3524 32.2514 177.4113 2 L 3.8183 7.9019 117.5463 57.4616 41.5304 178.0750 3 L 4.0630 8.1666 119.9824 58.4468 41.9555 179.8307 4 Q 4.0278 7.9614 120.1374 60.1902 28.1645 180.2660 5 R 4.1129 8.1175 120.4274 59.3131 30.1367 179.3308 6 I 3.7091 7.7654 119.5120 64.1573 37.1257 178.4683 7 K 4.2536 7.8176 121.4999 58.9634 31.9575 178.7608 8 Q 3.9746 8.4051 120.2465 59.2657 28.9980 178.1856 9 Q 3.9914 8.3198 119.3779 58.8637 28.1811 178.4708 10 E 4.0338 8.2983 119.8125 59.2298 29.5694 179.0981 11 D 4.3681 8.0772 119.0675 57.1587 40.9389 178.6679 12 K 4.1053 8.2609 120.3773 59.4099 32.1450 178.6753 13 L 3.9541 8.0797 120.7159 58.0698 41.9765 178.8315 14 E 3.9376 7.9971 118.8170 59.3549 29.5174 179.1095 15 E 4.0299 8.1498 118.3667 59.3776 29.5692 179.4769 16 T 3.8778 7.8968 116.1485 66.4808 68.3926 176.8317 17 L 3.6707 7.9589 121.1023 57.4154 41.5373 179.3368 18 S 3.9149 7.7196 113.1267 61.2372 62.2900 176.3244 19 K 3.9243 7.7535 120.5996 59.7230 31.7614 179.3433 20 I 3.7195 7.4964 119.6835 64.5147 36.9464 178.1096 21 Y 4.4404 8.0027 117.8483 61.3792 37.6529 178.1246 22 H 4.1869 8.3858 119.0702 59.4241 30.0472 177.2887 23 L 3.9037 8.0998 120.7282 57.8939 41.4205 179.3972 24 E 4.1582 8.6406 118.8508 59.4518 29.3242 179.1864 25 N 4.4227 8.1318 116.6649 56.0085 38.6349 177.4259 26 E 3.9091 8.2258 120.2574 59.5344 29.7159 179.4408 27 I 3.7163 8.3448 119.9398 64.1780 37.0245 178.4282 28 A 3.9972 7.9172 121.7112 55.2575 18.2622 179.9666 29 R 3.8477 7.9853 116.6711 59.4041 30.1647 179.5030 30 V 3.7774 7.9579 118.0239 65.7789 31.4176 178.1564 31 K 4.0787 7.9154 118.0000 58.8534 31.8898 179.1996 32 K 3.9521 8.2333 120.3217 59.2226 31.8286 178.4284 33 L 3.9718 8.1260 120.3923 58.2339 42.1978 178.7812 34 L 4.1162 7.7904 118.3840 56.2645 41.6792 178.3610 35 G 4.0792 7.6486 106.1310 44.8969 0.0000 173.5129 36 E 4.2461 8.1590 122.9982 56.1995 29.6793 175.7563 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 4.30 0.00 1.86 1.98 0.00 3.16 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 2 L 7.90 3.82 0.00 1.85 1.71 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.17 4.06 0.00 1.65 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.96 4.03 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.01 0.00 5 R 8.12 4.11 0.00 2.09 2.01 0.00 3.09 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 1.65 1.68 0.00 6 I 7.77 3.71 2.08 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 1.47 1.13 0.92 0.00 0.00 7 K 7.82 4.25 0.00 1.87 1.97 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.34 7.81 8 Q 8.41 3.97 0.00 2.21 2.30 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 2.35 2.39 0.00 9 Q 8.32 3.99 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 10 E 8.30 4.03 0.00 2.19 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 2.32 2.44 0.00 11 D 8.08 4.37 0.00 2.88 2.70 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 12 K 8.26 4.11 0.00 1.93 1.92 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.47 7.81 13 L 8.08 3.95 0.00 1.90 1.62 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.00 3.94 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 15 E 8.15 4.03 0.00 2.16 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 2.45 0.00 16 T 7.90 3.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 17 L 7.96 3.67 0.00 1.60 1.04 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.72 3.91 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 3.92 0.00 2.07 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.57 7.81 20 I 7.50 3.72 1.83 0.00 0.00 0.78 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 0.67 0.95 0.00 0.00 21 Y 8.00 4.44 0.00 3.16 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.39 4.19 0.00 3.24 3.55 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.10 3.90 0.00 1.91 1.70 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.64 4.16 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 25 N 8.13 4.42 0.00 3.05 2.85 0.00 0.00 6.95 7.72 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 26 E 8.23 3.91 0.00 2.12 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 2.20 2.34 0.00 27 I 8.34 3.72 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 1.45 1.41 0.91 0.00 0.00 28 A 7.92 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 29 R 7.99 3.85 0.00 1.88 1.99 0.00 3.13 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 1.92 1.62 0.00 30 V 7.96 3.78 2.27 0.00 0.00 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 0.98 0.00 0.00 31 K 7.92 4.08 0.00 2.11 1.83 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 32 K 8.23 3.95 0.00 2.04 1.86 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 L 8.13 3.97 0.00 1.83 1.85 0.92 1.06 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 34 L 7.79 4.12 0.00 1.82 1.74 0.95 0.88 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 35 G 7.65 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.16 4.25 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.21 0.00