NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1919 7.4474 120.1620 60.3451 38.3828 175.1312 3 G 3.6792 8.4633 117.4469 44.9272 0.0000 171.9613 4 R 4.1835 9.4769 121.1848 58.8232 31.2153 176.9211 5 N 4.6319 8.0157 113.1272 54.3009 39.5238 175.1180 6 E 4.2206 7.7706 118.2998 55.7961 31.0245 174.6121 7 P 4.3785 0.0000 0.0000 62.2559 32.4040 176.1163 8 C 4.1966 9.0518 126.0368 58.7480 32.3641 172.5742 9 P 4.8266 0.0000 0.0000 61.7019 28.2847 175.5865 10 C 4.6382 8.2140 112.1616 58.4367 30.9944 175.1012 11 G 4.5864 7.9683 108.3756 47.7355 0.0000 176.0556 12 S 4.2527 7.6569 117.1961 58.5625 62.6431 179.0183 13 G 4.1599 8.2864 105.8799 45.7043 0.0000 173.9842 14 K 4.2690 7.3603 117.8870 56.0205 32.9390 176.5643 15 K 4.6528 8.3585 120.0869 55.7110 33.4685 177.4173 16 Y 4.3641 9.1571 124.4201 60.9554 38.5677 179.0093 17 K 4.0484 8.0773 117.1469 58.7953 32.8694 177.6230 18 H 5.1100 8.2576 116.1615 55.6246 30.8191 172.4643 19 C 4.8980 7.4616 122.0895 59.7442 30.8411 176.8034 20 H 4.2483 9.6619 116.3858 57.4312 28.3421 175.6015 21 G 2.9066 8.0054 109.8191 45.0438 0.0000 174.9061 22 S 4.4113 7.1747 115.5965 57.9801 62.6283 179.6848 23 R 4.6002 8.2798 119.0002 56.5491 31.8286 176.9561 24 V 3.7609 7.6539 115.0495 61.5487 32.1200 180.4330 25 A 4.2101 8.1593 121.5495 53.2897 18.8252 176.4890 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 2 I 7.45 4.19 1.61 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.46 0.45 0.00 0.00 3 G 8.46 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.48 4.18 0.00 1.88 2.02 0.00 3.46 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 5 N 8.02 4.63 0.00 2.72 2.88 0.00 0.00 6.92 7.66 0.00 0.00 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 E 7.77 4.22 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 7 P 0.00 4.38 0.00 1.94 2.01 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 8 C 9.05 4.20 0.00 3.13 2.91 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 0.00 0.00 0.00 9 P 0.00 4.83 0.00 2.18 2.03 0.00 3.98 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 10 C 8.21 4.64 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 4.59 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 12 S 7.66 4.25 0.00 3.72 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.36 4.27 0.00 1.90 1.78 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.58 7.81 15 K 8.36 4.65 0.00 1.80 1.87 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.47 7.81 16 Y 9.16 4.36 0.00 2.91 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.05 0.00 1.89 1.96 0.00 1.20 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 0.89 7.81 18 H 8.26 5.11 0.00 3.09 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 7.46 4.90 0.00 3.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.66 4.25 0.00 3.25 3.45 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.01 2.91 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 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.17 4.41 0.00 3.62 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.28 4.60 0.00 1.70 1.88 0.00 3.33 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 24 V 7.65 3.76 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 25 A 8.16 4.21 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00