NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9537 8.2127 109.7383 45.6841 0.0000 176.0579 2 I 3.3481 8.0766 119.8137 62.4963 37.8470 172.9058 3 V 3.4603 7.6959 119.2071 65.7606 30.7836 176.7656 4 E 3.8620 8.0957 118.5518 59.4851 29.2635 178.5257 5 Q 4.0368 8.0517 117.9118 59.0567 29.3785 176.5194 6 C 5.1387 8.3736 115.5317 56.6893 40.7512 173.9789 7 C 4.3478 7.8176 118.4441 61.3158 29.1765 175.4975 8 T 4.0784 7.4402 106.4532 63.9552 68.9793 175.0302 9 S 4.6964 7.6516 117.0253 55.6149 66.3593 173.4640 10 I 3.9790 8.3674 124.6083 61.8832 37.0166 176.4411 11 C 4.8502 8.5913 123.6554 55.9974 38.5532 174.5650 12 S 4.5333 8.9298 119.5253 57.2611 65.5851 175.1714 13 L 3.8254 8.0353 122.0448 58.2336 41.3890 178.2013 14 Y 4.1404 7.0891 115.4225 61.3190 37.6883 178.2406 15 Q 4.1791 8.0344 118.4967 58.9548 28.8430 178.7492 16 L 4.3841 8.0781 120.0238 57.5093 41.5155 178.9386 17 E 4.0490 8.2130 119.0777 58.8526 29.2293 178.4876 18 N 4.2006 7.4739 115.1534 55.9587 38.5737 175.3187 19 Y 4.4533 7.3710 115.4013 58.4621 38.5078 175.3707 20 C 4.4676 7.3835 118.1043 59.4184 28.9953 173.4959 21 N 4.5467 8.5034 117.0664 53.7858 38.2675 175.5422 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 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.08 3.35 0.56 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.62 0.00 0.00 3 V 7.70 3.46 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.87 0.00 0.00 4 E 8.10 3.86 0.00 2.10 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 2.38 2.38 0.00 5 Q 8.05 4.04 0.00 2.15 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 2.46 2.46 0.00 6 C 8.37 5.14 0.00 3.03 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 7.82 4.35 0.00 3.11 2.95 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 0.00 0.00 0.00 8 T 7.44 4.08 4.24 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 1.25 0.00 0.00 9 S 7.65 4.70 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.98 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 0.47 0.92 0.00 0.00 11 C 8.59 4.85 0.00 3.00 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 12 S 8.93 4.53 0.00 4.14 4.10 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 0.00 0.00 0.00 0.00 13 L 8.04 3.83 0.00 1.50 1.15 0.75 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.09 4.14 0.00 3.12 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 15 Q 8.03 4.18 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 16 L 8.08 4.38 0.00 1.85 1.79 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.21 4.05 0.00 2.33 1.94 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 2.31 2.34 0.00 18 N 7.47 4.20 0.00 1.91 2.43 0.00 0.00 6.97 7.34 0.00 0.00 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 7.37 4.45 0.00 3.05 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 20 C 7.38 4.47 0.00 3.01 2.90 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 21 N 8.50 4.55 0.00 2.72 2.73 0.00 0.00 6.75 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