NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 L 4.2730 8.1429 122.4943 54.5488 43.6208 178.1204 40 R 3.8265 8.6528 127.2656 61.1575 29.2287 175.5954 41 A 4.2585 8.7489 121.5811 55.3925 18.7788 179.1555 42 E 4.1120 8.3397 119.1364 60.1031 29.5752 180.2496 43 R 4.0144 7.9293 121.0972 60.9121 29.3851 181.5430 44 W 4.1763 8.2539 128.6691 60.3480 30.3307 177.8791 45 K 4.0334 8.3013 118.1131 59.9293 31.3936 179.0309 46 A 4.0988 7.7456 121.5369 55.6470 18.3179 179.7479 47 E 4.0059 7.9110 116.0084 60.9232 30.1319 180.9644 48 N 4.7691 7.6012 116.3869 52.8647 38.9589 177.0398 49 Q 3.9363 7.5065 123.9262 59.1130 28.5487 177.6427 50 E 3.9958 8.0633 120.1827 59.2458 29.7818 178.9005 51 G 3.6111 7.8967 105.2204 47.7780 0.0000 175.5389 52 M 4.1418 7.9959 120.3988 58.0565 31.8306 178.7349 53 A 3.9883 7.7945 121.3421 55.1207 18.5820 179.3011 54 E 3.9502 7.8829 117.0318 59.3426 29.6544 179.2635 55 V 3.6681 8.0165 118.2534 65.6808 31.6295 177.8112 56 A 4.0025 7.9642 120.5637 55.3186 18.3179 179.5875 57 R 3.8643 8.3566 116.8421 59.4915 30.2301 178.9082 58 F 4.1507 8.4049 120.1575 61.4551 39.2761 177.0582 59 I 3.5274 8.4739 122.0837 65.3576 36.7182 178.2988 60 E 3.8997 7.8607 117.2437 61.8761 29.5007 180.1843 61 M 3.9347 8.2008 119.9840 60.4766 32.3606 179.0223 62 N 4.3802 8.4414 120.9390 55.6163 38.4309 177.0570 63 G 4.4511 6.2988 111.6695 44.0956 0.0000 171.6285 64 S 4.6880 7.8181 116.0211 56.2170 63.7525 175.0315 65 F 4.1983 9.0045 129.9206 61.1432 39.7993 176.0806 66 A 4.1151 8.2564 123.2506 55.3024 18.8177 178.9016 67 D 4.2429 8.2735 115.3543 57.8218 40.8593 178.4408 68 E 4.0874 7.4495 112.5457 57.5747 29.0127 177.6417 69 N 4.6576 7.9566 113.1691 53.3128 41.8385 174.0567 70 R 4.2577 7.5657 122.6953 55.3458 30.1331 176.3468 71 D 5.0110 8.5996 126.1868 52.6363 40.1398 173.1661 72 W 4.7070 7.8405 124.1602 57.8515 28.0798 174.0213 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 39 L 8.14 4.27 0.00 1.71 1.63 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.65 3.83 0.00 1.94 1.94 0.00 3.30 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.33 0.00 41 A 8.75 4.26 1.32 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 0.00 0.00 0.00 42 E 8.34 4.11 0.00 2.15 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 0.00 2.43 2.34 0.00 43 R 7.93 4.01 0.00 1.77 1.94 0.00 3.27 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 44 W 8.25 4.18 0.00 3.57 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.30 4.03 0.00 2.12 1.95 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.71 7.81 46 A 7.75 4.10 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.91 4.01 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 48 N 7.60 4.77 0.00 1.55 2.31 0.00 0.00 6.73 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.51 3.94 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 50 E 8.06 4.00 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 51 G 7.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.00 4.14 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.00 0.00 53 A 7.79 3.99 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.88 3.95 0.00 2.07 2.11 0.00 0.00 0.00 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 2.33 0.00 55 V 8.02 3.67 2.25 0.00 0.00 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 0.93 0.00 0.00 56 A 7.96 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.36 3.86 0.00 2.03 2.05 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 58 F 8.40 4.15 0.00 3.18 3.32 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 0.00 59 I 8.47 3.53 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.92 0.92 0.00 0.00 60 E 7.86 3.90 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 61 M 8.20 3.93 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 62 N 8.44 4.38 0.00 2.81 2.70 0.00 0.00 7.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 6.30 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.82 4.69 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.00 4.20 0.00 2.98 3.10 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 66 A 8.26 4.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.27 4.24 0.00 2.85 2.66 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 0.00 0.00 0.00 0.00 68 E 7.45 4.09 0.00 1.76 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 2.27 2.31 0.00 69 N 7.96 4.66 0.00 2.57 2.54 0.00 0.00 6.72 7.53 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 70 R 7.57 4.26 0.00 1.66 1.41 0.00 2.21 0.00 0.00 2.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.50 0.00 71 D 8.60 5.01 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 W 7.84 4.71 0.00 3.49 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