NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.9543 8.3916 118.1940 55.9760 30.0472 174.4304 5 K 3.5365 8.7615 128.0615 55.0439 33.0347 176.4824 6 C 4.6876 7.8538 119.2573 61.6816 30.3751 172.6029 7 S 4.4256 7.6454 120.9145 57.0675 64.6166 174.7564 8 E 3.5813 8.6111 114.0480 58.4795 27.1694 173.3720 9 H 4.4183 7.6710 126.9646 55.8561 30.9375 174.2381 10 D 4.9644 7.0685 120.7321 51.4296 43.9361 175.5943 11 E 4.3631 8.5697 122.3963 54.7425 29.5804 177.6272 12 R 5.5611 7.2998 131.7195 57.1959 30.4265 173.0344 13 L 4.6370 7.4539 118.0800 53.4906 42.8632 176.0534 14 K 4.8958 8.2589 121.8630 55.5151 36.9057 175.1272 15 L 4.2269 8.3484 125.8768 55.4014 45.6719 172.7406 16 Y 3.0452 6.7531 115.2819 56.9374 41.3742 171.9913 17 C 3.8475 6.7805 120.5475 55.6991 33.6705 173.9323 18 K 3.8465 8.4171 121.5989 54.7768 32.0702 175.1372 19 D 4.4283 8.5980 119.5784 53.9437 39.7137 176.1891 20 D 4.7564 8.6000 121.5007 53.5701 40.6371 176.4152 21 G 4.2384 8.8606 113.3793 46.8460 0.0000 174.4847 22 T 4.2965 7.2905 120.6538 60.7218 67.6878 173.7311 23 L 3.8390 8.2386 126.5984 56.3596 40.8284 174.4473 24 S 3.6568 8.8878 125.2875 58.4628 62.4557 170.7523 25 C 4.6677 8.1712 123.9428 58.3631 30.6835 173.3215 26 V 3.5078 8.6180 113.3832 63.5311 31.3251 176.4930 27 I 2.5342 8.1285 124.1061 60.9122 37.1501 175.4884 28 C 5.0780 7.9986 117.8073 59.0779 33.2597 175.1771 29 R 4.3396 10.3590 116.9648 56.2372 28.7309 174.3756 30 D 4.6531 8.0778 112.2838 55.0144 47.3800 174.6855 31 S 3.6487 8.0357 109.7714 58.8372 59.4080 169.3273 32 L 4.4663 7.0526 119.8252 54.4979 43.8336 177.6402 33 K 3.9840 8.8069 122.6602 57.4466 30.5476 175.0993 34 H 4.4211 7.9039 112.4299 57.5602 29.2391 174.9119 35 A 3.9296 8.4288 123.1789 52.2181 17.1765 178.7229 36 S 4.5225 7.5785 107.5758 58.5145 66.4074 175.2548 37 H 3.8263 7.8525 117.5145 57.9902 29.0209 175.3251 38 N 4.3133 8.1995 114.4023 53.6269 42.3027 172.1928 39 F 5.4195 7.9930 115.2106 56.2481 40.9021 172.5864 40 L 5.3252 8.4308 119.6895 52.1584 45.7043 173.5712 41 P 4.7492 0.0000 0.0000 61.4768 32.5711 176.1300 42 I 3.8021 8.2578 115.1715 61.3481 37.3432 175.6617 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 E 8.39 4.95 0.00 2.18 2.24 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 2.21 2.33 0.00 5 K 8.76 3.54 0.00 1.89 1.76 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 C 7.85 4.69 0.00 3.30 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 4.43 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 3.58 0.00 2.12 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 0.00 2.15 2.18 0.00 9 H 7.67 4.42 0.00 3.01 3.18 0.00 5.46 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.07 4.96 0.00 2.48 2.58 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 11 E 8.57 4.36 0.00 1.92 1.91 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 2.27 2.29 0.00 12 R 7.30 5.56 0.00 1.90 1.98 0.00 3.34 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 13 L 7.45 4.64 0.00 1.71 1.55 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.26 4.90 0.00 1.87 1.81 0.00 2.14 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.46 7.81 15 L 8.35 4.23 0.00 1.77 1.96 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 6.75 3.05 0.00 2.64 2.42 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 17 C 6.78 3.85 0.00 3.29 2.87 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 18 K 8.42 3.85 0.00 1.95 1.89 0.00 1.91 0.00 0.00 1.88 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.73 7.81 19 D 8.60 4.43 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.60 4.76 0.00 2.77 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 21 G 8.86 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 0.00 0.00 0.00 22 T 7.29 4.30 4.23 0.00 0.00 0.00 0.00 0.00 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 23 L 8.24 3.84 0.00 1.72 1.69 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.89 3.66 0.00 4.03 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 25 C 8.17 4.67 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.62 3.51 2.26 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 0.97 0.00 0.00 1.09 0.00 0.00 27 I 8.13 2.53 1.59 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 1.08 0.61 0.37 0.00 0.00 28 C 8.00 5.08 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 10.36 4.34 0.00 2.10 2.15 0.00 3.35 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 30 D 8.08 4.65 0.00 2.66 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 31 S 8.04 3.65 0.00 4.12 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 32 L 7.05 4.47 0.00 1.66 1.56 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.81 3.98 0.00 1.89 1.95 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.45 7.81 34 H 7.90 4.42 0.00 3.21 3.22 0.00 5.93 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.43 3.93 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 36 S 7.58 4.52 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.85 3.83 0.00 3.03 3.05 0.00 6.04 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.20 4.31 0.00 2.49 2.46 0.00 0.00 6.45 7.71 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 39 F 7.99 5.42 0.00 3.33 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 5.33 0.00 1.67 1.51 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.75 0.00 1.63 1.47 0.00 3.43 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.44 0.00 42 I 8.26 3.80 1.85 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 1.25 0.55 0.97 0.00 0.00