NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3088 8.3044 120.3503 54.5812 33.0586 177.7047 2 K 3.7240 8.8067 121.4373 55.6988 31.8145 174.8187 3 R 4.1864 8.6346 125.9065 56.7128 32.2747 176.4693 4 T 4.3945 7.7355 113.0617 59.8067 66.1245 175.7904 5 F 4.8138 7.1510 117.3176 58.3272 40.8859 172.1977 6 Q 4.2179 8.3062 127.1961 52.1776 28.6355 173.5197 7 P 3.9318 0.0000 0.0000 63.3764 31.7214 177.9270 8 S 4.2894 8.4044 114.7337 56.2991 63.8663 174.7686 9 V 3.6026 8.4489 130.5130 65.0572 30.6199 177.8636 10 L 3.9590 7.8607 120.1270 57.6561 41.8757 179.0305 11 K 4.0018 7.9127 117.8566 59.5747 32.4090 179.0143 12 R 4.0107 8.6021 119.2126 59.7490 29.8625 178.1196 13 N 4.4592 8.1221 116.0135 56.0815 38.5807 177.0869 14 R 4.1994 7.5876 113.6396 57.3673 29.4683 177.1959 15 S 4.5688 7.6520 115.4646 59.9128 64.8660 175.2383 16 H 4.9957 8.1266 116.2362 55.2759 29.6633 173.6741 17 G 4.2110 7.9046 107.6480 43.6283 0.0000 174.9592 18 F 3.9695 9.0449 123.3853 61.6032 39.3402 177.7228 19 R 4.0768 8.1595 117.1146 58.9891 29.9783 178.2666 20 A 4.1415 7.7989 119.5334 54.1162 18.7143 178.9111 21 R 4.0116 8.1766 118.3077 58.9154 29.9641 177.0251 22 M 4.5177 7.4197 116.3511 55.5911 33.0364 176.9027 23 A 4.4683 7.8890 123.7629 52.8009 20.7559 178.4599 24 T 4.7234 7.2902 105.1275 59.1201 73.2795 174.0031 25 K 3.8196 8.5761 121.5162 60.1890 31.9622 178.0711 26 N 4.7466 7.9551 113.8839 54.4203 38.7450 176.6251 27 G 4.0559 7.6722 110.0307 46.6080 0.0000 176.5087 28 R 4.0242 7.9688 120.5671 57.7315 29.9519 178.8726 29 Q 4.0817 7.9351 118.0692 58.3748 28.7316 177.9486 30 V 3.5981 7.7223 119.3034 65.8407 31.3635 178.1198 31 L 4.0278 7.7856 118.0913 57.7023 41.7869 178.9357 32 A 3.8223 7.9255 120.1580 54.5764 18.3053 179.7404 33 R 3.7931 7.9774 117.7494 59.7674 30.2810 178.8079 34 R 4.0591 7.7269 117.1627 58.7549 29.8412 178.9122 35 R 3.9402 8.4513 118.7248 59.1728 30.4330 178.2692 36 A 4.0991 7.8533 120.2602 55.0660 18.3985 179.4034 37 K 3.9858 7.7013 115.8374 57.2437 32.2633 176.8035 38 G 3.8685 7.7036 105.6026 46.5316 0.0000 173.9660 39 R 3.8448 8.1738 119.1392 56.2072 29.9611 175.7480 40 A 3.9688 8.0715 126.9414 53.8822 18.9792 177.5765 41 R 4.3980 7.5286 118.9290 54.2945 30.8094 176.6827 42 L 4.0778 8.6720 123.9751 56.8592 41.7533 178.4239 43 T 3.9251 8.1455 107.6785 62.4018 69.7124 174.1909 44 V 3.1670 8.2552 123.1162 63.7586 28.4623 173.3316 45 S 4.1466 7.6192 120.5881 59.7164 63.7864 175.5996 46 K 4.1819 7.6795 125.8065 55.5177 32.4597 176.2114 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 M 8.30 4.31 0.00 2.00 1.46 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.81 3.72 0.00 1.84 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 R 8.63 4.19 0.00 1.88 1.96 0.00 3.43 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 4 T 7.74 4.39 4.28 0.00 0.00 0.00 0.00 0.00 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 5 F 7.15 4.81 0.00 2.86 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.31 4.22 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 7 P 0.00 3.93 0.00 1.99 1.57 0.00 3.38 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 8 S 8.40 4.29 0.00 3.83 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 9 V 8.45 3.60 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 0.94 0.00 0.00 10 L 7.86 3.96 0.00 1.70 1.71 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.91 4.00 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.50 7.81 12 R 8.60 4.01 0.00 1.90 2.00 0.00 3.18 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 13 N 8.12 4.46 0.00 2.92 2.87 0.00 0.00 6.68 8.07 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 14 R 7.59 4.20 0.00 1.95 2.05 0.00 3.03 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.67 0.00 15 S 7.65 4.57 0.00 3.85 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.13 5.00 0.00 3.10 3.27 0.00 5.83 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 17 G 7.90 4.21 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 0.00 18 F 9.04 3.97 0.00 3.07 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 19 R 8.16 4.08 0.00 1.98 1.96 0.00 3.23 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 20 A 7.80 4.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 4.01 0.00 2.02 1.80 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 22 M 7.42 4.52 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 2.00 0.00 23 A 7.89 4.47 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 24 T 7.29 4.72 4.22 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 1.19 0.00 0.00 25 K 8.58 3.82 0.00 1.87 1.80 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.59 7.81 26 N 7.96 4.75 0.00 2.70 2.84 0.00 0.00 6.80 7.65 0.00 0.00 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 G 7.67 4.06 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 0.00 0.00 0.00 28 R 7.97 4.02 0.00 1.82 1.94 0.00 3.07 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 29 Q 7.94 4.08 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 30 V 7.72 3.60 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 1.03 0.00 0.00 0.96 0.00 0.00 31 L 7.79 4.03 0.00 1.84 1.71 0.55 1.03 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 32 A 7.93 3.82 1.37 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 0.00 0.00 33 R 7.98 3.79 0.00 2.27 2.08 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 34 R 7.73 4.06 0.00 1.93 1.97 0.00 3.20 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 35 R 8.45 3.94 0.00 1.99 1.98 0.00 3.31 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 36 A 7.85 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.99 0.00 1.79 2.00 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.47 7.81 38 G 7.70 3.87 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 0.00 0.00 0.00 39 R 8.17 3.84 0.00 1.92 1.88 0.00 3.32 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 40 A 8.07 3.97 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 41 R 7.53 4.40 0.00 1.82 1.91 0.00 3.24 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 42 L 8.67 4.08 0.00 1.69 1.88 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.15 3.93 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 44 V 8.26 3.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 45 S 7.62 4.15 0.00 3.99 3.89 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 0.00 0.00 0.00 46 K 7.68 4.18 0.00 1.70 1.70 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.44 7.81