NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4110 8.2649 123.5827 52.1060 20.7890 177.4314 2 K 4.1528 8.2967 118.9312 54.0391 31.9964 175.9906 3 G 3.9802 8.3994 109.8018 44.5878 0.0000 173.0299 4 I 4.2475 8.0192 125.4484 59.0945 34.6171 173.9705 5 R 4.4593 7.7591 131.9599 56.3675 33.3117 173.2948 6 E 4.8111 7.5574 115.1483 54.3695 31.7128 174.7375 7 K 4.6655 7.5822 116.2433 57.4135 32.8555 175.6974 8 I 4.7878 8.0722 115.3563 59.5647 41.0636 173.4769 9 K 4.6751 8.7507 119.8486 55.0270 35.2725 175.8263 10 L 4.5608 9.1657 127.2428 53.2318 43.0983 177.2119 11 V 3.4542 8.6111 127.1346 63.5206 31.3959 176.6571 12 S 3.6987 7.8908 117.5437 57.5542 62.2455 170.0348 13 S 4.1766 7.4356 113.2990 58.2167 64.5334 174.1330 14 A 4.4098 8.0279 125.4846 49.7248 21.3020 176.2931 15 G 3.6051 8.2307 108.3879 44.9718 0.0000 170.9701 16 T 3.1626 8.5681 129.6703 64.2494 66.8006 172.4434 17 G 4.5134 9.5941 126.4566 45.3618 0.0000 170.9937 18 H 4.0185 7.5819 115.8181 56.8261 25.6021 173.2942 19 F 4.7627 7.7596 121.5384 57.1553 42.5518 172.4840 20 Y 4.2714 8.2574 115.2213 56.1405 39.5321 172.0594 21 T 3.3459 9.1794 126.7811 63.5590 69.4117 171.3678 22 T 5.0647 7.9475 115.1713 60.5973 72.5057 172.7359 23 T 4.4836 8.0888 110.6697 61.5278 72.5206 171.7946 24 K 4.9806 8.6325 120.1322 55.9247 35.3641 175.5369 25 N 4.6312 8.2220 116.9342 52.6502 43.6620 171.1181 26 K 4.5118 8.4851 126.0708 56.7803 33.4860 175.7238 27 R 4.7305 8.3551 111.7597 58.0952 36.2198 176.3789 28 T 4.0093 7.5625 114.1170 66.4048 68.7149 175.9693 29 K 4.0585 8.0989 119.5614 55.7875 32.6102 174.5765 30 P 4.0986 0.0000 0.0000 62.2971 31.7939 174.6423 31 E 4.2948 8.0596 126.2759 55.4292 31.1581 174.7879 32 K 3.9129 8.7660 112.5899 56.8486 29.7923 174.9644 33 L 4.3767 7.1256 113.3082 55.1186 42.5874 173.4592 34 E 4.8701 8.1152 119.8514 55.4832 33.9196 176.0350 35 L 5.5208 7.6379 126.9584 55.6287 44.0062 173.1514 36 K 4.5800 8.4603 125.2334 55.7369 33.1814 174.0432 37 K 4.2215 7.9328 117.3217 53.5735 35.5424 173.7430 38 F 3.0810 7.5736 128.6505 57.2796 40.4836 173.9805 39 D 4.5146 6.7959 124.3845 51.8253 42.2733 175.2615 40 P 4.0607 0.0000 0.0000 61.2560 33.3971 175.1164 41 V 3.9610 8.7340 116.5660 66.6758 31.2830 176.6480 42 V 4.2112 7.6544 115.0052 63.6649 34.8850 173.6912 43 R 4.0397 8.3721 121.4337 57.2086 26.6964 178.2227 44 Q 4.3815 8.5107 130.3039 56.4702 31.4518 174.5315 45 H 4.2271 9.1217 119.9078 55.4161 27.0231 178.2087 46 V 3.2073 9.4712 124.6646 62.1042 34.2130 177.6466 47 I 3.0011 9.4636 113.7971 61.7552 38.6125 175.0777 48 Y 4.1259 9.4287 113.8914 57.6905 35.4032 171.9510 49 K 3.9825 7.8826 116.9911 57.7468 33.7278 178.5602 50 E 3.6502 7.8759 117.9691 56.2316 28.4226 173.5402 51 A 4.2243 8.2682 120.6600 53.0414 19.8076 176.0746 52 K 3.6901 8.2809 121.6140 56.6980 28.4257 175.1853 53 I 4.5173 7.5585 121.5996 58.7880 39.8388 175.4933 54 K 4.1374 8.4298 124.2920 56.7466 32.0299 176.6494 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 A 8.26 4.41 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 2 K 8.30 4.15 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.50 7.81 3 G 8.40 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 4 I 8.02 4.25 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.91 0.00 0.00 5 R 7.76 4.46 0.00 1.76 1.84 0.00 3.32 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 6 E 7.56 4.81 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 7 K 7.58 4.67 0.00 1.89 1.92 0.00 1.44 0.00 0.00 1.62 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.44 7.81 8 I 8.07 4.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.91 0.00 0.00 9 K 8.75 4.68 0.00 1.61 1.74 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.46 7.81 10 L 9.17 4.56 0.00 1.76 1.53 0.92 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.61 3.45 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 0.70 0.00 0.00 0.68 0.00 0.00 12 S 7.89 3.70 0.00 4.41 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.18 0.00 3.58 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.41 0.19 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 0.00 0.00 15 G 8.23 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.57 3.16 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 17 G 9.59 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.58 4.02 0.00 3.38 3.44 0.00 5.69 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.76 4.76 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 20 Y 8.26 4.27 0.00 2.67 2.64 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 0.00 0.00 0.00 0.00 21 T 9.18 3.35 4.14 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 0.00 0.00 0.00 0.65 0.00 0.00 22 T 7.95 5.06 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 1.40 0.00 0.00 23 T 8.09 4.48 4.26 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 1.25 0.00 0.00 24 K 8.63 4.98 0.00 1.90 1.83 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.31 1.39 7.81 25 N 8.22 4.63 0.00 2.74 2.63 0.00 0.00 6.76 7.48 0.00 0.00 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 K 8.49 4.51 0.00 1.64 1.53 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.44 7.81 27 R 8.36 4.73 0.00 2.03 1.85 0.00 3.54 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 28 T 7.56 4.01 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 29 K 8.10 4.06 0.00 1.75 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.47 7.81 30 P 0.00 4.10 0.00 2.05 2.00 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 2.03 2.13 0.00 31 E 8.06 4.29 0.00 2.01 1.71 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 2.18 2.38 0.00 32 K 8.77 3.91 0.00 1.91 1.87 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.46 7.81 33 L 7.13 4.38 0.00 1.67 1.58 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.12 4.87 0.00 2.23 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 35 L 7.64 5.52 0.00 1.82 1.71 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.46 4.58 0.00 1.73 1.63 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.26 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.50 7.81 37 K 7.93 4.22 0.00 1.61 1.58 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.32 7.81 38 F 7.57 3.08 0.00 2.71 1.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.80 4.51 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.06 0.00 2.31 2.22 0.00 3.53 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 41 V 8.73 3.96 2.23 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 0.89 0.00 0.00 1.18 0.00 0.00 42 V 7.65 4.21 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 0.81 0.00 0.00 0.98 0.00 0.00 43 R 8.37 4.04 0.00 2.06 1.51 0.00 3.28 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 44 Q 8.51 4.38 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 45 H 9.12 4.23 0.00 3.10 2.94 0.00 5.92 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.47 3.21 2.41 0.00 0.00 0.00 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 0.96 0.00 0.00 47 I 9.46 3.00 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.62 0.94 0.00 0.00 48 Y 9.43 4.13 0.00 3.24 3.03 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 0.00 0.00 0.00 49 K 7.88 3.98 0.00 1.86 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.39 7.81 50 E 7.88 3.65 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 2.33 2.54 0.00 51 A 8.27 4.22 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 3.69 0.00 2.04 1.83 0.00 1.53 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.46 7.81 53 I 7.56 4.52 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.90 0.00 0.00 54 K 8.43 4.14 0.00 1.76 1.68 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.38 7.81