NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3171 8.2644 123.5836 52.2185 19.1281 175.6408 3 R 4.2266 8.0032 119.9006 56.9081 31.2787 175.4429 4 K 3.9075 8.2305 120.6845 59.6310 32.8531 178.1476 5 A 4.0670 7.9914 120.2150 54.6049 18.2607 179.1615 6 L 4.0330 7.8682 119.1888 58.1129 42.1795 178.8143 7 I 3.8193 7.4326 111.9230 63.6958 37.4271 177.4395 8 E 4.0984 7.9275 120.8443 58.7999 29.6695 178.3917 9 K 3.9843 7.9526 119.0310 59.0420 32.0143 178.6405 10 A 3.7540 7.9917 120.3658 53.9026 18.2988 178.5880 11 K 4.2664 7.2919 114.4822 56.6064 32.6733 178.3969 12 R 3.8826 7.5835 119.5344 58.7419 31.4886 176.3247 13 T 3.4062 7.7313 112.3881 64.2073 65.5839 170.3307 14 P 4.3692 0.0000 0.0000 65.5725 33.1825 179.2053 15 K 3.9687 7.3179 125.6084 54.8178 32.0967 176.6578 16 F 4.4943 6.8637 122.0562 58.3827 39.6616 176.1215 17 K 4.1498 8.6545 120.2269 59.1744 32.7900 177.6729 18 V 4.5057 7.1481 120.4311 63.2008 31.3348 176.5320 19 R 4.7921 7.8536 114.2744 55.6896 33.8052 175.4561 20 A 4.2432 7.7391 121.8085 51.4307 18.1705 177.1116 21 Y 4.3914 7.9354 118.7932 57.7697 38.6993 176.5141 22 T 3.9982 8.3177 110.6805 62.0264 69.4356 174.1516 23 R 4.6194 8.1408 123.3772 55.1208 32.8432 174.2382 24 C 4.8552 8.6421 125.7620 59.3788 32.0169 174.3658 25 V 3.6372 8.4763 126.1189 65.7105 31.7810 177.7574 26 R 3.8737 7.9329 114.8280 59.8619 29.5505 176.3668 27 C 4.3166 8.6971 116.6235 57.8601 31.4340 174.4715 28 G 4.4302 7.2695 108.7805 47.0730 0.0000 173.7995 29 R 4.2660 7.3741 118.0842 55.4875 31.7236 176.8636 30 A 4.1915 8.5821 126.5613 54.2807 18.7332 177.0855 31 R 4.6518 7.2068 110.4123 55.2613 32.8005 175.1060 32 S 3.7428 8.5225 109.7709 59.5091 60.2110 172.1898 33 V 4.4552 7.1162 121.0175 61.7096 30.8390 175.4267 34 Y 4.2240 8.8268 126.5816 58.1149 38.4160 178.0773 35 R 4.0241 8.8319 123.4506 59.2698 30.6154 177.7877 36 F 4.1980 8.5554 118.7871 61.5011 39.3863 176.2285 37 F 4.0344 8.8277 118.7004 58.3296 39.4641 177.5280 38 G 4.0773 8.7451 107.6985 45.6683 0.0000 172.8138 39 L 5.0638 7.4397 119.7108 52.5424 44.5315 175.6364 40 C 5.2422 8.4779 114.1733 56.6002 31.0371 174.8513 41 R 4.0772 8.6810 117.5026 59.7835 28.8936 178.8061 42 I 3.7277 7.7506 120.3046 64.2917 37.3837 177.9436 43 C 4.4199 7.9961 114.6694 60.6774 29.4687 175.5071 44 L 3.6627 7.8409 123.5866 58.2593 41.7247 178.9003 45 R 3.8184 7.7116 118.3005 59.0854 29.8304 178.1066 46 E 3.9682 8.0273 118.1726 59.5809 29.5612 179.4044 47 L 3.9804 7.7408 117.9938 57.6938 41.4578 179.2615 48 A 3.9608 7.5973 119.5726 55.7590 18.3280 179.1498 49 H 4.2617 7.9808 113.3725 58.9319 28.8179 177.9872 50 K 4.1854 7.5767 119.8320 57.5178 32.2296 178.3069 51 G 3.9887 8.2446 106.7139 45.3971 0.0000 174.3421 52 Q 4.1578 7.8364 116.3714 56.3741 29.0684 176.1786 53 L 4.6897 7.3270 119.4527 51.8871 41.5535 173.7222 54 P 4.4338 0.0000 0.0000 63.7325 31.7737 177.9836 55 G 3.9464 8.8029 109.2639 46.0254 0.0000 174.4076 56 V 3.9373 7.4561 119.6968 61.7014 29.9896 175.0463 57 R 4.4595 7.8462 125.2774 53.4946 31.9635 175.7055 58 K 3.9355 8.3960 122.5138 56.1026 32.3870 176.3062 59 A 4.3558 8.4932 130.0317 52.1673 19.0456 176.8769 60 S 4.3946 8.5828 118.6918 57.2959 66.8296 174.4274 61 W 4.5518 8.0777 121.8361 57.0854 27.2791 174.1569 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 4.32 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 R 8.00 4.23 0.00 1.96 1.90 0.00 3.20 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 4 K 8.23 3.91 0.00 1.91 1.79 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 5 A 7.99 4.07 1.34 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 0.00 0.00 0.00 6 L 7.87 4.03 0.00 1.90 1.73 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.43 3.82 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.98 0.00 0.00 8 E 7.93 4.10 0.00 2.13 1.98 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 2.30 2.35 0.00 9 K 7.95 3.98 0.00 1.97 2.00 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.48 7.81 10 A 7.99 3.75 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.29 4.27 0.00 1.68 1.81 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.50 7.81 12 R 7.58 3.88 0.00 1.85 1.99 0.00 3.44 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 13 T 7.73 3.41 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 1.20 0.00 0.00 14 P 0.00 4.37 0.00 2.09 2.09 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 15 K 7.32 3.97 0.00 1.40 0.74 0.00 0.81 0.00 0.00 1.19 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 1.10 7.81 16 F 6.86 4.49 0.00 3.12 2.97 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 0.00 0.00 0.00 17 K 8.65 4.15 0.00 1.98 2.11 0.00 1.53 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.48 7.81 18 V 7.15 4.51 2.17 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 0.82 0.00 0.00 0.97 0.00 0.00 19 R 7.85 4.79 0.00 1.85 1.99 0.00 3.28 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 20 A 7.74 4.24 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 Y 7.94 4.39 0.00 3.12 3.01 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 22 T 8.32 4.00 4.30 0.00 0.00 0.00 0.00 0.00 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 23 R 8.14 4.62 0.00 1.62 1.69 0.00 3.36 0.00 0.00 3.46 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 24 C 8.64 4.86 0.00 3.09 3.09 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 0.00 0.00 0.00 0.00 25 V 8.48 3.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 26 R 7.93 3.87 0.00 1.87 1.81 0.00 3.27 0.00 0.00 3.29 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 27 C 8.70 4.32 0.00 3.10 3.04 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 28 G 7.27 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 4.27 0.00 1.89 1.84 0.00 3.21 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.65 0.00 30 A 8.58 4.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.21 4.65 0.00 1.94 2.02 0.00 3.12 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 32 S 8.52 3.74 0.00 4.10 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 33 V 7.12 4.46 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 0.86 0.00 0.00 1.06 0.00 0.00 34 Y 8.83 4.22 0.00 3.30 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.83 4.02 0.00 1.92 2.06 0.00 3.26 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 36 F 8.56 4.20 0.00 3.07 3.21 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 37 F 8.83 4.03 0.00 3.27 3.14 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 0.00 38 G 8.75 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.44 5.06 0.00 1.67 1.62 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.48 5.24 0.00 3.17 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 41 R 8.68 4.08 0.00 2.16 2.50 0.00 3.03 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 42 I 7.75 3.73 1.89 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 1.72 1.33 0.94 0.00 0.00 43 C 8.00 4.42 0.00 3.15 3.21 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 44 L 7.84 3.66 0.00 1.70 1.73 0.02 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.71 3.82 0.00 1.85 1.90 0.00 3.22 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 46 E 8.03 3.97 0.00 2.23 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 2.34 2.63 0.00 47 L 7.74 3.98 0.00 1.77 1.72 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.60 3.96 1.23 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 49 H 7.98 4.26 0.00 3.31 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.58 4.19 0.00 1.89 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.61 7.81 51 G 8.24 3.99 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 0.00 0.00 0.00 52 Q 7.84 4.16 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 53 L 7.33 4.69 0.00 1.87 1.82 0.70 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.43 0.00 2.08 2.03 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 55 G 8.80 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 56 V 7.46 3.94 2.33 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 0.74 0.00 0.00 1.27 0.00 0.00 57 R 7.85 4.46 0.00 1.82 1.83 0.00 3.31 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 58 K 8.40 3.94 0.00 1.74 1.72 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.36 7.81 59 A 8.49 4.36 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.58 4.39 0.00 3.85 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 61 W 8.08 4.55 0.00 3.30 3.15 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 0.00 0.00 0.00