NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4498 8.2649 123.5829 51.4281 21.0709 176.6325 3 K 4.3526 7.5363 118.7698 55.5322 35.0180 173.3552 4 H 3.9004 10.4809 119.0545 59.9969 28.6639 174.8223 5 P 4.3787 0.0000 0.0000 63.4924 32.5814 175.9622 6 V 4.4930 7.9004 120.3416 60.3580 34.6403 172.7074 7 P 4.3207 0.0000 0.0000 62.8441 31.5976 176.6471 8 K 4.1968 8.6023 123.4624 58.3156 32.6874 176.6874 9 K 4.5753 7.4668 115.4542 54.5585 35.9266 175.2850 10 K 4.0082 8.5405 123.8326 56.6607 32.6780 176.6055 11 T 4.1657 8.3080 116.5824 60.8911 69.8122 174.6804 12 S 4.3523 8.4312 118.9379 57.9552 63.8230 175.2320 13 K 3.9219 8.6575 120.3016 59.8070 31.5609 179.0016 14 A 4.0859 7.9465 121.0261 54.7652 18.5751 179.2841 15 R 3.8294 8.2967 115.4498 59.3543 30.0577 179.1524 16 R 3.8588 8.0746 117.7254 59.8136 30.3909 178.0783 17 D 4.4375 7.9177 118.3613 57.1284 40.8256 178.2708 18 A 3.9502 8.6057 121.7710 55.4377 17.9027 179.6186 19 R 3.8477 7.8880 116.6070 59.6530 30.1251 178.3412 20 R 3.7165 7.7218 115.1863 56.4737 29.6670 178.4116 21 S 4.0890 7.7126 115.0228 60.6940 62.9406 174.7122 22 H 4.7982 7.2887 116.3615 55.9987 28.9271 174.8121 23 H 4.5641 8.2823 116.7560 56.5005 28.9738 175.7696 24 A 4.0573 7.8048 123.0268 52.1259 18.6357 177.4277 25 L 4.3773 8.2764 122.0714 54.6121 42.7520 176.3271 26 T 4.6139 7.9707 115.7784 60.9536 70.9769 172.9434 27 P 4.4140 0.0000 0.0000 61.9564 32.0368 174.5308 28 P 4.3605 0.0000 0.0000 62.8449 31.5726 176.7705 29 T 4.3611 8.3112 117.7761 63.0476 69.0402 173.6667 30 L 5.0630 8.4386 125.9473 52.9632 45.0892 176.2814 31 V 4.5977 9.2710 115.3192 59.2772 36.6471 172.3511 32 P 5.2226 0.0000 0.0000 61.0718 32.8182 175.4243 33 C 4.0274 9.1341 125.6443 59.2933 31.3376 171.2578 34 P 4.3160 0.0000 0.0000 65.8101 30.4024 177.1263 35 E 3.9201 7.5436 117.4706 58.2483 30.2017 175.5349 36 C 4.4628 7.8841 111.0017 57.0409 31.2103 175.0072 37 K 3.8721 8.9972 123.8842 59.4376 32.4818 176.0087 38 A 4.0036 7.2728 120.9907 49.4551 20.5524 176.2902 39 M 5.0851 8.2746 118.9739 53.9564 34.2391 175.5045 40 K 4.5462 9.3050 121.8166 55.3987 37.0246 172.2885 41 P 5.1752 0.0000 0.0000 60.6982 32.4824 174.2688 42 P 4.1931 0.0000 0.0000 64.7524 31.4164 175.4509 43 H 4.2879 8.8634 116.1847 56.8972 25.7485 174.6383 44 T 4.7685 7.4053 106.2747 59.3556 71.6171 173.7272 45 V 4.0182 8.4018 123.2464 62.7822 31.9749 175.0071 46 C 4.0573 8.9911 127.6630 59.1300 31.3296 172.2635 47 P 4.3556 0.0000 0.0000 64.7479 30.5058 176.5958 48 E 4.1619 7.3384 119.3926 58.4585 29.8405 177.6317 49 C 4.1970 7.6261 114.2851 60.9526 30.8765 175.1986 50 G 3.9778 9.2190 109.9561 44.6316 0.0000 174.9725 51 Y 3.3770 8.1553 117.2930 57.4888 35.2161 167.3460 52 Y 4.5971 7.7391 115.4416 59.4343 39.7078 177.0448 53 A 4.8368 8.0980 121.2026 50.8409 19.5934 175.9782 54 G 3.9082 7.4661 105.9995 44.4455 0.0000 172.7381 55 R 3.7854 7.9968 120.5502 55.9025 30.4367 174.4986 56 K 4.1957 7.6827 118.0228 55.8607 34.3618 177.6067 57 V 4.0844 7.7644 114.7750 61.2436 33.3978 179.4498 58 L 4.4911 8.6953 129.9931 54.6840 41.1949 175.5193 59 E 4.6877 8.5993 121.6976 54.1226 31.9319 176.8328 60 V 3.9790 8.2429 119.5356 61.8777 31.6516 175.4746 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 A 8.26 4.45 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.54 4.35 0.00 1.78 1.57 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.46 7.81 4 H 10.48 3.90 0.00 3.12 3.10 0.00 5.73 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.38 0.00 2.04 1.98 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 6 V 7.90 4.49 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 0.80 0.00 0.00 1.01 0.00 0.00 7 P 0.00 4.32 0.00 2.08 1.98 0.00 3.73 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 2.08 0.00 8 K 8.60 4.20 0.00 1.69 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.52 7.81 9 K 7.47 4.58 0.00 1.74 1.64 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.36 7.81 10 K 8.54 4.01 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 T 8.31 4.17 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 1.21 0.00 0.00 12 S 8.43 4.35 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.66 3.92 0.00 1.82 1.91 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.95 4.09 1.29 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 0.00 0.00 0.00 15 R 8.30 3.83 0.00 1.88 2.02 0.00 3.14 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 1.66 1.66 0.00 16 R 8.07 3.86 0.00 1.78 2.19 0.00 3.27 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 17 D 7.92 4.44 0.00 2.77 2.68 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 18 A 8.61 3.95 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 19 R 7.89 3.85 0.00 2.00 2.17 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 20 R 7.72 3.72 0.00 1.86 1.88 0.00 3.21 0.00 0.00 3.30 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 21 S 7.71 4.09 0.00 3.87 4.05 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 22 H 7.29 4.80 0.00 3.01 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.28 4.56 0.00 3.20 3.33 0.00 5.66 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 24 A 7.80 4.06 1.25 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 0.00 0.00 0.00 25 L 8.28 4.38 0.00 1.66 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.97 4.61 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 1.22 0.00 0.00 27 P 0.00 4.41 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 28 P 0.00 4.36 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 29 T 8.31 4.36 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 1.22 0.00 0.00 30 L 8.44 5.06 0.00 1.48 1.53 0.92 0.96 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 31 V 9.27 4.60 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 0.82 0.00 0.00 0.98 0.00 0.00 32 P 0.00 5.22 0.00 1.91 2.06 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 33 C 9.13 4.03 0.00 2.91 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 34 P 0.00 4.32 0.00 2.08 2.11 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 35 E 7.54 3.92 0.00 1.95 1.87 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 2.36 2.31 0.00 36 C 7.88 4.46 0.00 3.14 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 37 K 9.00 3.87 0.00 1.88 2.01 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 38 A 7.27 4.00 1.24 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 0.00 0.00 39 M 8.27 5.09 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 40 K 9.30 4.55 0.00 1.73 1.87 0.00 1.14 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.38 7.81 41 P 0.00 5.18 0.00 2.16 2.23 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.81 0.00 42 P 0.00 4.19 0.00 2.06 2.05 0.00 4.00 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 43 H 8.86 4.29 0.00 3.40 3.53 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.41 4.77 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 1.32 0.00 0.00 45 V 8.40 4.02 2.10 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 0.83 0.00 0.00 0.70 0.00 0.00 46 C 8.99 4.06 0.00 2.95 2.84 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 47 P 0.00 4.36 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 48 E 7.34 4.16 0.00 1.98 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 2.29 2.23 0.00 49 C 7.63 4.20 0.00 3.12 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 50 G 9.22 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 51 Y 8.16 3.38 0.00 2.82 2.55 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 0.00 0.00 0.00 0.00 52 Y 7.74 4.60 0.00 3.08 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 53 A 8.10 4.84 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.47 3.91 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 55 R 8.00 3.79 0.00 1.69 1.82 0.00 3.32 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 56 K 7.68 4.20 0.00 1.86 1.82 0.00 1.64 0.00 0.00 2.01 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.18 1.54 7.81 57 V 7.76 4.08 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 0.69 0.00 0.00 1.04 0.00 0.00 58 L 8.70 4.49 0.00 1.51 1.65 0.92 0.80 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 59 E 8.60 4.69 0.00 2.06 1.92 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 2.18 2.26 0.00 60 V 8.24 3.98 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 0.74 0.00 0.00 0.93 0.00 0.00