NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4176 8.2644 123.5829 51.2892 20.5481 175.0685 3 K 4.0021 7.3825 126.4665 54.8126 35.1321 172.1637 4 H 4.2282 8.8816 116.7632 57.8577 30.3443 174.2531 5 P 4.5376 0.0000 0.0000 62.6963 32.8806 176.8549 6 V 4.4892 7.9277 118.7834 59.2139 34.1145 172.3135 7 P 4.1979 0.0000 0.0000 63.4696 31.1740 176.3761 8 K 4.1371 8.6682 123.6803 58.6222 32.5743 176.5868 9 K 4.6632 7.4708 115.2512 54.1248 36.1416 175.4666 10 K 4.0804 8.4187 122.4699 56.3201 32.7019 176.8911 11 T 3.9910 8.4241 123.5776 63.1394 68.9906 175.0488 12 S 4.2544 8.6761 121.7406 58.6720 64.7899 175.4609 13 K 3.8588 8.7410 122.3229 60.1742 31.7247 178.7807 14 A 3.9825 7.9989 120.7646 54.9539 18.5111 179.2323 15 R 3.8910 8.7701 116.8034 59.1076 29.9545 179.0858 16 R 3.8533 7.9064 118.1156 59.6917 30.5115 177.9590 17 D 4.4298 8.2520 118.4378 56.8975 40.8145 178.5211 18 A 3.9557 8.6076 121.9506 55.4385 18.1807 179.6514 19 R 3.9154 7.6280 115.0039 59.4090 30.3272 177.9748 20 R 4.2871 7.8977 116.0697 56.0679 29.6884 178.0768 21 S 4.0583 7.8857 115.6186 62.0855 62.7162 176.6519 22 H 4.8854 7.8377 113.2243 56.3075 27.8413 175.9256 23 H 4.3906 8.3921 118.3957 56.8615 29.0859 175.9727 24 A 4.0281 7.2862 122.7117 52.1348 18.5045 177.5170 25 L 4.2364 8.4172 122.8207 54.7360 42.4744 176.5027 26 T 4.5307 8.0896 110.3605 58.8022 70.2790 172.2502 27 P 4.2241 0.0000 0.0000 62.1308 31.4599 174.2523 28 P 4.3787 0.0000 0.0000 63.2195 31.4992 175.3204 29 T 4.5711 8.3199 109.0908 60.1835 70.5309 173.2616 30 L 4.9799 8.5187 125.0578 52.8942 45.3555 175.9653 31 V 4.4024 8.6429 112.0494 59.6518 35.9113 174.9286 32 P 3.9452 0.0000 0.0000 65.6475 31.5972 176.3494 33 C 4.0008 8.4962 115.5820 59.0095 33.6374 169.3264 34 P 4.2487 0.0000 0.0000 65.0698 30.5691 178.9214 35 E 4.3011 9.4481 123.9853 55.6364 27.5026 174.2969 36 C 4.8786 6.8966 119.4762 59.6540 34.5853 172.6704 37 K 4.2620 8.5304 119.7670 58.0631 33.4717 177.2312 38 A 3.9074 7.9690 120.8814 52.8533 18.4822 176.9288 39 M 4.8841 8.3835 122.0476 55.1826 33.5665 175.1687 40 K 4.4976 8.0073 116.7084 55.4293 36.2212 172.7493 41 P 5.0044 0.0000 0.0000 61.0819 32.6091 174.1524 42 P 4.2009 0.0000 0.0000 64.8913 31.5200 175.8916 43 H 4.5147 9.3099 116.7744 57.1212 25.7040 174.0769 44 T 4.4456 7.2230 109.1136 59.7165 71.0965 173.2903 45 V 3.6186 7.7583 120.8673 60.6907 32.1433 174.5540 46 C 3.6996 8.3371 127.4034 59.2859 31.5918 172.6859 47 P 4.4031 0.0000 0.0000 63.9400 30.4575 176.0070 48 E 4.7361 8.2265 115.0693 57.4882 35.2906 176.9533 49 C 3.9078 8.0121 117.3891 61.5581 28.8909 170.8436 50 G 3.8757 7.5662 112.9708 44.2080 0.0000 172.7170 51 Y 4.0547 7.9351 120.6351 57.1187 38.8376 175.8435 52 Y 4.1638 6.7586 119.1194 58.3037 38.5365 175.3890 53 A 3.8587 8.8840 122.8709 53.1723 16.3927 176.5768 54 G 4.2257 7.6677 105.5991 44.8531 0.0000 173.0007 55 R 4.1731 8.3306 119.4754 55.4309 30.6760 175.1580 56 K 4.9077 8.1090 124.0796 54.2650 36.1080 177.5765 57 V 4.2171 7.8166 116.6455 61.7609 32.4634 180.0149 58 L 4.8984 8.9139 126.3291 54.0995 44.6106 174.3033 59 E 4.6798 8.4714 119.9287 55.2300 33.7949 175.7153 60 V 3.9938 8.1084 118.1921 63.5317 31.9490 175.1154 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 4.42 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 3 K 7.38 4.00 0.00 1.74 1.56 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.54 7.81 4 H 8.88 4.23 0.00 3.13 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.70 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 4.54 0.00 2.21 2.01 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 6 V 7.93 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 0.73 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.20 0.00 2.20 2.14 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 8 K 8.67 4.14 0.00 1.72 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.47 4.66 0.00 1.72 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.42 4.08 0.00 1.71 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 11 T 8.42 3.99 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 8.68 4.25 0.00 4.04 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 0.00 13 K 8.74 3.86 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 8.00 3.98 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 8.77 3.89 0.00 1.85 1.95 0.00 3.10 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 R 7.91 3.85 0.00 1.83 2.10 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 17 D 8.25 4.43 0.00 2.73 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 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 3.92 0.00 1.87 2.27 0.00 3.29 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 20 R 7.90 4.29 0.00 1.95 1.74 0.00 3.13 0.00 0.00 3.08 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.78 0.00 21 S 7.89 4.06 0.00 3.91 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.89 0.00 3.18 3.35 0.00 5.69 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.39 4.39 0.00 3.32 3.38 0.00 5.87 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 7.29 4.03 1.22 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 0.00 0.00 25 L 8.42 4.24 0.00 1.65 1.63 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.09 4.53 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 27 P 0.00 4.22 0.00 2.19 2.13 0.00 3.78 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 1.99 0.00 28 P 0.00 4.38 0.00 2.20 2.11 0.00 3.72 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 1.99 1.96 0.00 29 T 8.32 4.57 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 8.52 4.98 0.00 1.50 1.67 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.64 4.40 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 0.89 0.00 0.00 0.96 0.00 0.00 32 P 0.00 3.95 0.00 2.05 2.09 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 33 C 8.50 4.00 0.00 2.96 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 4.25 0.00 2.17 1.61 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 35 E 9.45 4.30 0.00 1.98 1.96 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 2.39 2.31 0.00 36 C 6.90 4.88 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.26 0.00 1.89 1.90 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.40 7.81 38 A 7.97 3.91 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 39 M 8.38 4.88 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 40 K 8.01 4.50 0.00 1.80 1.81 0.00 1.15 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.18 1.32 7.81 41 P 0.00 5.00 0.00 2.13 2.21 0.00 3.83 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 2.04 1.78 0.00 42 P 0.00 4.20 0.00 2.21 2.11 0.00 3.92 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 2.04 2.03 0.00 43 H 9.31 4.51 0.00 3.42 3.61 0.00 5.70 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.22 4.45 4.17 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 1.27 0.00 0.00 45 V 7.76 3.62 1.96 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 0.69 0.00 0.00 0.73 0.00 0.00 46 C 8.34 3.70 0.00 2.86 2.81 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 0.00 0.00 0.00 47 P 0.00 4.40 0.00 2.19 2.11 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 48 E 8.23 4.74 0.00 2.18 2.15 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 2.18 2.29 0.00 49 C 8.01 3.91 0.00 2.87 2.98 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 50 G 7.57 3.88 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 0.00 0.00 0.00 51 Y 7.94 4.05 0.00 2.74 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 0.00 0.00 0.00 52 Y 6.76 4.16 0.00 3.14 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 8.88 3.86 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 54 G 7.67 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 0.00 0.00 0.00 0.00 55 R 8.33 4.17 0.00 1.90 1.81 0.00 3.17 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 56 K 8.11 4.91 0.00 1.86 1.94 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.50 7.81 57 V 7.82 4.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 58 L 8.91 4.90 0.00 1.48 1.53 0.92 0.77 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 8.47 4.68 0.00 1.89 1.83 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 2.20 2.22 0.00 60 V 8.11 3.99 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 0.79 0.00 0.00 0.93 0.00 0.00