NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.2228 8.2549 120.8567 55.8263 32.3053 175.2150 8 I 3.3903 7.5938 118.1849 59.1409 37.5678 174.1863 9 P 4.1449 0.0000 0.0000 63.3393 33.2234 176.7272 10 L 4.0165 8.5862 122.4892 58.6294 40.5308 179.4149 11 W 4.2725 8.3472 117.3906 59.5459 27.7593 178.0536 12 I 3.2815 6.0582 120.9958 63.5515 36.3190 178.5572 13 V 3.5033 7.5671 119.2339 64.0483 31.4047 178.4327 14 A 3.9716 8.0155 121.7152 55.2673 18.2897 179.6427 15 T 3.8098 7.9584 108.0667 65.0903 68.9987 176.8059 16 V 3.7061 7.4741 121.5475 64.1284 30.9345 178.2895 17 A 4.2026 8.1097 121.8545 54.6737 18.1594 179.8577 18 G 3.5267 8.7648 105.0994 48.4172 0.0000 175.5916 19 M 4.1202 8.4704 122.6136 58.0752 31.8727 179.1940 20 G 3.5918 7.7423 104.4720 47.7782 0.0000 176.1168 21 V 3.5379 7.3678 120.8698 64.6599 31.2690 178.4878 22 I 3.7503 8.2138 120.7494 62.9703 36.8303 178.5317 23 V 3.7362 8.1882 120.9072 64.1396 31.9122 178.2391 24 I 3.3068 8.3060 120.6631 63.4521 37.8161 177.9853 25 V 4.1239 8.1081 119.5773 65.9838 31.3537 178.0319 26 G 3.5440 7.5997 105.4574 47.7762 0.0000 175.0061 27 L 3.9624 8.0055 123.4348 58.1657 41.7412 179.1460 28 F 4.4993 7.5024 116.0781 60.7580 39.0845 177.4346 29 F 4.8124 8.3107 117.1930 60.8289 38.5660 176.8225 30 Y 4.0897 8.5135 119.3718 60.7373 38.5821 178.5867 31 G 3.9776 9.3281 106.9250 47.2622 0.0000 174.1951 32 A 4.0188 7.7892 120.8431 53.0640 19.3152 177.4529 33 Y 3.9530 9.4493 114.1622 58.8477 38.7612 176.4508 34 A 4.4783 7.3417 120.0991 52.1425 20.9821 176.7621 35 G 4.5623 7.6421 103.4098 44.6044 0.0000 173.1967 36 L 4.0575 8.8240 119.8679 57.9392 41.9310 179.5048 37 G 3.9002 7.7566 107.1437 44.6495 0.0000 171.6382 38 S 4.3820 7.8760 115.0506 61.0760 64.7565 175.1475 39 S 4.8450 8.2220 112.8792 58.3728 61.1419 170.0166 40 L 4.3295 7.3145 124.3459 55.7362 42.0422 176.3921 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 7 R 8.25 4.22 0.00 1.77 1.92 0.00 3.21 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 8 I 7.59 3.39 1.80 0.00 0.00 0.82 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 0.45 0.78 0.00 0.00 9 P 0.00 4.14 0.00 1.46 1.99 0.00 3.51 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 10 L 8.59 4.02 0.00 1.92 2.00 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.35 4.27 0.00 3.52 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.06 3.28 1.25 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.36 0.65 0.00 0.00 13 V 7.57 3.50 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 0.84 0.00 0.00 0.90 0.00 0.00 14 A 8.02 3.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 3.81 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 16 V 7.47 3.71 2.05 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 0.88 0.00 0.00 0.91 0.00 0.00 17 A 8.11 4.20 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.47 4.12 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 20 G 7.74 3.59 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 21 V 7.37 3.54 2.09 0.00 0.00 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 0.96 0.00 0.00 22 I 8.21 3.75 1.94 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 1.56 0.48 0.88 0.00 0.00 23 V 8.19 3.74 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 0.92 0.00 0.00 0.86 0.00 0.00 24 I 8.31 3.31 1.91 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 1.17 0.92 1.06 0.00 0.00 25 V 8.11 4.12 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.99 0.00 0.00 26 G 7.60 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.01 3.96 0.00 1.54 1.50 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.50 4.50 0.00 3.41 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 29 F 8.31 4.81 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.51 4.09 0.00 3.15 3.18 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 31 G 9.33 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.79 4.02 1.38 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 0.00 0.00 33 Y 9.45 3.95 0.00 2.83 2.98 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 0.00 0.00 0.00 0.00 34 A 7.34 4.48 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 35 G 7.64 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.82 4.06 0.00 1.65 1.77 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.76 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 0.00 0.00 0.00 38 S 7.88 4.38 0.00 3.75 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.22 4.84 0.00 4.03 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 0.00 40 L 7.31 4.33 0.00 1.56 1.54 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00