NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1850 8.3449 119.6851 55.6590 30.4339 176.0917 2 N 4.5152 7.9099 116.9648 50.7135 38.5862 172.7775 3 E 4.3050 8.5961 124.5043 55.7855 31.4687 176.2020 4 G 3.9529 7.9045 105.8751 46.4415 0.0000 172.2878 5 H 4.9432 7.5138 112.9869 53.6342 32.2345 171.9474 6 E 4.2606 8.5164 117.2648 54.8599 30.3679 174.9043 7 C 3.6703 8.6802 123.4911 60.3238 31.4029 173.4144 8 Q 4.6726 8.1485 128.0191 55.6110 29.1158 175.9239 9 C 4.5050 7.9092 115.1170 60.1482 28.8749 174.0307 10 Q 4.4168 8.2094 122.0375 56.4026 27.2946 176.3080 11 C 4.5911 7.5780 118.2093 59.0585 30.4176 173.6171 12 G 3.9514 8.3747 104.1099 46.0794 0.0000 175.4661 13 S 4.1572 7.9758 115.1036 61.0024 62.2426 175.4678 14 C 4.1046 7.8846 118.3584 61.9548 28.5330 175.2099 15 K 3.9776 7.1894 119.1837 59.8065 31.8844 176.0132 16 N 4.5679 7.6502 114.4733 54.2821 40.7390 173.1925 17 N 4.1840 7.8032 124.0143 54.0011 38.6628 174.6133 18 E 4.4831 8.5934 122.3573 56.7632 29.9400 177.7218 19 Q 4.1956 7.6586 118.2433 57.8366 28.6714 176.2693 20 C 4.8991 8.1994 110.1896 56.8775 30.9913 174.5195 21 Q 4.4607 7.9086 118.0013 56.4216 27.8941 176.9043 22 K 4.2367 7.1512 117.3973 58.4714 33.0292 177.8832 23 S 4.7602 7.4093 115.0068 57.7323 64.1021 174.5440 24 C 4.3962 7.9140 115.7211 58.0129 30.7405 174.3021 25 S 5.1879 8.4952 118.3628 58.2485 62.2489 173.5065 26 C 3.9021 7.7188 119.1503 59.4955 28.0084 172.4515 27 P 4.3985 0.0000 0.0000 63.3923 30.0065 174.7358 28 T 3.8996 7.4524 119.5304 61.0727 67.7190 172.9979 29 G 4.0403 9.0440 112.9137 46.7317 0.0000 170.7079 30 C 4.0182 8.2087 121.0953 60.1607 31.3495 173.1387 31 N 5.2495 8.5195 125.6605 52.4622 37.6144 173.8986 32 S 4.7322 7.8960 110.9241 57.5762 66.0219 173.2173 33 D 4.5391 8.6572 124.2001 57.0537 40.9904 177.5971 34 D 4.8976 7.8810 116.6718 54.3751 41.0668 176.2934 35 K 4.6731 7.7476 118.4712 56.3714 33.3048 176.2891 36 C 4.8279 7.8361 114.6312 56.7096 31.1911 171.1745 37 P 4.6836 0.0000 0.0000 62.8260 32.1887 176.7247 38 C 4.4248 7.9694 118.7237 60.1742 32.3727 172.9728 39 G 4.2375 8.4759 111.8974 45.0256 0.0000 172.0787 40 N 4.4919 7.9120 123.2686 53.0713 37.1508 174.2036 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 1 Q 8.34 4.19 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 2 N 7.91 4.52 0.00 2.88 2.74 0.00 0.00 6.49 6.77 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 3 E 8.60 4.31 0.00 2.00 1.90 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 2.10 2.20 0.00 4 G 7.90 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.51 4.94 0.00 3.15 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.52 4.26 0.00 2.07 1.99 0.00 0.00 0.00 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 2.20 0.00 7 C 8.68 3.67 0.00 2.98 2.92 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 8 Q 8.15 4.67 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 9 C 7.91 4.51 0.00 2.98 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 10 Q 8.21 4.42 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 11 C 7.58 4.59 0.00 2.99 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 12 G 8.37 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.98 4.16 0.00 3.90 3.86 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 0.00 0.00 0.00 14 C 7.88 4.10 0.00 2.97 2.95 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 0.00 0.00 0.00 0.00 15 K 7.19 3.98 0.00 2.02 2.21 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.47 7.81 16 N 7.65 4.57 0.00 2.62 2.78 0.00 0.00 7.17 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 17 N 7.80 4.18 0.00 2.89 2.87 0.00 0.00 7.12 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 18 E 8.59 4.48 0.00 2.16 2.03 0.00 0.00 0.00 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 2.33 0.00 19 Q 7.66 4.20 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 20 C 8.20 4.90 0.00 3.06 3.12 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 0.00 0.00 0.00 0.00 21 Q 7.91 4.46 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 22 K 7.15 4.24 0.00 1.81 1.82 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.56 7.81 23 S 7.41 4.76 0.00 3.79 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 24 C 7.91 4.40 0.00 3.12 3.46 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 25 S 8.50 5.19 0.00 3.87 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 26 C 7.72 3.90 0.00 3.03 2.96 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 0.00 27 P 0.00 4.40 0.00 2.22 2.25 0.00 3.74 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 28 T 7.45 3.90 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 1.22 0.00 0.00 29 G 9.04 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 0.00 0.00 0.00 30 C 8.21 4.02 0.00 2.97 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 31 N 8.52 5.25 0.00 2.91 2.80 0.00 0.00 5.98 7.64 0.00 0.00 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 S 7.90 4.73 0.00 3.78 3.71 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 33 D 8.66 4.54 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.90 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.67 0.00 1.60 1.70 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.35 7.81 36 C 7.84 4.83 0.00 3.09 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.68 0.00 2.22 2.12 0.00 3.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 38 C 7.97 4.42 0.00 2.96 2.86 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 0.00 0.00 0.00 39 G 8.48 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 40 N 7.91 4.49 0.00 2.83 2.85 0.00 0.00 6.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00