NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9719 8.2127 109.7438 45.1351 0.0000 174.2787 2 I 3.2288 7.8258 119.1463 62.1358 37.4457 172.5051 3 V 3.4085 7.6876 119.1070 66.2915 31.7441 176.9654 4 H 3.9332 8.0178 117.2651 58.9094 29.5295 177.0766 5 Q 4.0503 7.8236 119.0258 58.2550 28.7934 176.7362 6 C 4.8528 8.6053 114.9016 56.8187 41.7971 174.3422 7 C 4.3947 7.8642 119.9260 61.4403 32.2034 174.5875 8 H 4.3729 8.1725 114.9192 58.1670 28.4586 175.2721 9 S 4.7533 7.4473 113.2087 56.7005 65.3526 172.9053 10 I 4.4187 8.0132 121.5078 60.1309 38.3618 176.1613 11 C 5.2204 8.4911 121.9181 55.0161 41.1554 174.6951 12 S 4.5552 8.9912 119.2715 57.5629 65.0110 175.1415 13 L 3.9537 8.5171 123.6534 58.6979 41.4555 178.4133 14 Y 4.2442 7.9296 119.0343 60.4017 38.9482 177.8439 15 Q 4.3474 8.2626 118.3683 58.7204 28.7727 178.3986 16 L 4.2139 7.9967 121.7387 58.0838 41.8692 178.6701 17 E 4.0635 8.1368 118.1185 58.6534 29.0867 178.6579 18 N 4.1377 7.4117 115.7433 55.2540 38.4678 175.1001 19 Y 4.5211 7.5120 117.1726 57.7690 38.3182 175.1165 20 C 4.5838 7.6761 118.1329 58.6617 29.4003 173.6007 21 N 4.5164 8.5554 118.2035 53.7733 38.1204 175.2530 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 G 8.21 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.83 3.23 0.56 0.00 0.00 0.29 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 0.64 0.62 0.00 0.00 3 V 7.69 3.41 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 0.92 0.00 0.00 0.85 0.00 0.00 4 H 8.02 3.93 0.00 3.26 3.27 0.00 5.91 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 7.82 4.05 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.53 0.00 0.00 0.00 0.00 0.00 2.77 2.71 0.00 6 C 8.61 4.85 0.00 2.86 3.08 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 7 C 7.86 4.39 0.00 2.86 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 8 H 8.17 4.37 0.00 3.13 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.45 4.75 0.00 3.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.01 4.42 1.88 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 1.42 0.54 0.93 0.00 0.00 11 C 8.49 5.22 0.00 2.97 3.05 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 0.00 0.00 0.00 0.00 12 S 8.99 4.56 0.00 4.11 4.04 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 0.00 0.00 0.00 13 L 8.52 3.95 0.00 1.81 1.78 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.93 4.24 0.00 3.06 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 15 Q 8.26 4.35 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 16 L 8.00 4.21 0.00 2.01 1.88 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.14 4.06 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.56 0.00 18 N 7.41 4.14 0.00 2.21 2.29 0.00 0.00 6.91 8.68 0.00 0.00 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 Y 7.51 4.52 0.00 3.15 2.96 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 0.00 0.00 0.00 20 C 7.68 4.58 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.52 0.00 2.71 2.73 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00