NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3548 8.1127 119.6560 56.0834 32.2502 173.6779 5 E 4.7392 8.4438 121.8659 53.1389 32.1182 173.9040 6 C 4.3884 10.1238 128.3968 59.5496 32.8620 173.5300 7 D 4.4855 8.6780 126.5405 55.9753 39.9497 175.7174 8 Y 4.4372 7.2664 118.3943 58.7374 40.9343 175.8049 9 C 3.9809 8.0996 114.0219 58.3512 30.7951 175.2386 10 G 3.6609 8.1255 108.6360 46.1209 0.0000 173.3501 11 T 4.6650 7.4018 109.8577 59.7968 71.5453 173.6482 12 D 4.9512 8.5770 121.8489 54.6167 41.7470 176.0562 13 I 4.3184 8.3462 123.8625 59.4063 38.3872 175.3221 14 E 3.8658 9.0397 128.5809 55.6298 29.6701 174.6924 15 P 4.1906 0.0000 0.0000 64.5063 31.7769 175.7809 16 G 3.7292 9.7453 107.0155 46.2111 0.0000 172.7509 17 T 4.2798 7.8374 112.0169 63.5676 72.5928 174.6245 18 G 4.0789 8.7721 111.0726 45.6119 0.0000 172.4931 19 T 4.8573 8.5192 113.8795 61.7471 72.9689 173.2839 20 M 5.1609 8.6168 122.4491 53.9119 34.7110 174.2641 21 F 4.8029 9.5940 130.0001 57.2563 41.2826 174.5119 22 V 4.2364 7.7146 126.4658 61.4350 32.0765 175.2334 23 H 4.0323 8.4023 125.8811 54.9455 29.4868 176.9270 24 K 3.9089 8.6080 121.8758 59.7238 31.9669 177.6576 25 D 4.4286 7.9414 115.7775 53.9752 39.6172 176.5555 26 G 3.9187 7.8803 106.7748 45.1351 0.0000 173.8403 27 A 4.2394 9.2686 123.2752 52.9522 19.7527 176.5503 28 T 5.0986 8.2191 114.0026 62.3581 72.8644 174.0427 29 T 4.5931 9.0549 122.0146 62.1364 72.4012 172.8212 30 H 5.0743 10.2623 126.2475 54.9252 30.0954 174.3585 31 F 5.2608 9.3909 123.9326 56.0369 40.3450 177.3085 32 C 4.3529 9.1525 118.1565 60.3172 30.5623 173.7816 33 S 4.7001 7.7073 114.1715 55.8675 66.7160 175.0258 34 S 4.2998 8.4620 118.5701 60.8296 62.7870 176.0199 35 K 3.7358 8.1108 122.9246 59.6718 31.7571 178.2620 36 C 4.1927 7.9580 116.4562 62.8559 28.0126 175.6920 37 E 2.7213 7.6758 119.9207 59.3621 28.8174 179.4175 38 N 4.2142 8.7144 116.9955 56.2300 38.5448 177.2808 39 N 4.4587 8.1534 117.7034 55.7464 38.6385 177.5036 40 A 4.0061 7.5944 122.5558 55.2641 18.2783 179.2733 41 D 4.3525 7.7505 116.1578 57.4679 40.9874 178.5771 42 L 4.2591 7.4540 116.7574 55.2751 41.5331 177.8311 43 G 3.9271 8.2683 107.6428 45.9379 0.0000 173.8527 44 R 4.3879 7.8320 117.8179 55.0214 31.2262 175.8538 45 E 4.5648 8.4423 120.3054 54.7795 31.3856 177.0876 46 A 2.9820 8.0230 127.3295 55.2530 18.5693 179.2016 47 R 3.9764 7.6527 112.4448 58.0427 30.2471 176.8348 48 N 4.5723 8.6943 115.2457 52.8546 39.4946 174.8093 49 L 4.3834 7.1179 119.4825 52.6966 41.5842 176.6621 50 E 3.9320 8.8204 124.9559 59.2004 29.4762 178.7367 51 W 4.5673 7.7071 112.3696 56.9712 28.8174 176.0667 52 T 3.8967 7.6124 118.5119 62.8767 68.5754 175.2300 53 D 4.3844 8.8872 126.3659 58.0206 41.1697 178.2565 54 T 3.9091 7.7480 114.4539 66.4651 69.8250 175.5542 55 A 3.9823 7.7602 122.3397 53.6064 17.3520 177.6284 56 R 4.0904 8.9120 117.3625 55.2902 29.7386 177.4180 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 4 R 8.11 4.35 0.00 1.78 1.88 0.00 3.01 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 5 E 8.44 4.74 0.00 1.96 1.78 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 2.14 2.35 0.00 6 C 10.12 4.39 0.00 3.05 2.88 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 7 D 8.68 4.49 0.00 2.52 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.27 4.44 0.00 2.91 3.02 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 9 C 8.10 3.98 0.00 3.16 3.33 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 10 G 8.13 3.66 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 0.00 0.00 0.00 11 T 7.40 4.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 12 D 8.58 4.95 0.00 2.61 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 13 I 8.35 4.32 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.96 0.00 0.00 14 E 9.04 3.87 0.00 1.92 1.93 0.00 0.00 0.00 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 2.40 0.00 15 P 0.00 4.19 0.00 2.22 2.07 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 4.28 4.63 0.00 0.00 0.00 0.00 0.00 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 18 G 8.77 4.08 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 0.00 0.00 0.00 19 T 8.52 4.86 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 20 M 8.62 5.16 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.34 0.00 21 F 9.59 4.80 0.00 3.26 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 22 V 7.71 4.24 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 0.72 0.00 0.00 0.84 0.00 0.00 23 H 8.40 4.03 0.00 3.37 3.20 0.00 5.68 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 24 K 8.61 3.91 0.00 1.74 1.86 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 25 D 7.94 4.43 0.00 2.82 2.78 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 26 G 7.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.27 4.24 1.26 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 0.00 0.00 28 T 8.22 5.10 4.25 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 0.00 0.00 0.00 1.13 0.00 0.00 29 T 9.05 4.59 4.33 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 0.60 0.00 0.00 30 H 10.26 5.07 0.00 3.11 3.28 0.00 5.79 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.39 5.26 0.00 3.03 3.09 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 0.00 0.00 0.00 0.00 32 C 9.15 4.35 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.70 0.00 4.04 4.02 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 34 S 8.46 4.30 0.00 3.98 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 35 K 8.11 3.74 0.00 1.77 1.87 0.00 1.44 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.52 1.45 7.81 36 C 7.96 4.19 0.00 3.33 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.68 2.72 0.00 1.83 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.94 0.00 38 N 8.71 4.21 0.00 2.73 2.78 0.00 0.00 7.09 5.12 0.00 0.00 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 N 8.15 4.46 0.00 2.94 3.12 0.00 0.00 6.85 7.95 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 40 A 7.59 4.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.75 4.35 0.00 2.70 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 42 L 7.45 4.26 0.00 1.76 1.74 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.27 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.83 4.39 0.00 2.18 1.98 0.00 3.37 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 45 E 8.44 4.56 0.00 1.96 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 2.34 2.29 0.00 46 A 8.02 2.98 0.54 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 47 R 7.65 3.98 0.00 1.71 1.91 0.00 3.12 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 48 N 8.69 4.57 0.00 2.63 2.81 0.00 0.00 6.87 7.73 0.00 0.00 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 L 7.12 4.38 0.00 1.00 0.81 1.03 0.98 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 50 E 8.82 3.93 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 51 W 7.71 4.57 0.00 3.58 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 3.90 3.96 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 0.95 0.00 0.00 53 D 8.89 4.38 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 3.91 4.01 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 1.07 0.00 0.00 55 A 7.76 3.98 1.10 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 0.00 0.00 56 R 8.91 4.09 0.00 1.91 1.91 0.00 3.13 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00