NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2577 7.8676 121.0441 61.2207 40.0775 173.9023 2 T 5.4452 7.9935 115.9478 58.9027 72.7644 171.5836 3 C 4.9610 8.9729 119.1158 55.8215 45.7208 173.5837 4 Y 5.9195 7.6674 118.5432 56.3432 38.8313 176.4225 5 K 4.2779 8.6560 123.3082 56.5272 33.4376 177.1582 6 T 4.1779 8.4603 116.5826 65.8220 69.0072 174.2658 7 P 4.3060 0.0000 0.0000 62.2565 32.2120 176.9996 8 I 3.6587 8.5431 120.9447 64.3358 37.0021 177.2992 9 P 4.4506 0.0000 0.0000 61.9793 30.6847 175.7735 10 I 3.7931 7.0004 121.7759 63.1783 37.7048 175.8581 11 T 4.8511 8.5163 116.1966 59.7170 72.8057 172.4306 12 S 5.5774 9.0022 116.9005 56.2831 63.5434 172.9020 13 E 4.8104 8.3450 123.6654 54.7874 33.1698 174.8592 14 T 5.1327 8.3162 117.3595 63.5247 69.5903 175.1722 15 C 4.7209 8.4798 121.6345 55.8642 38.3754 173.0130 16 A 4.3680 8.3565 122.4194 50.6074 18.9768 175.1043 17 P 4.4294 0.0000 0.0000 64.1782 31.4754 175.9824 18 G 4.0751 9.0147 111.3980 45.9494 0.0000 173.8599 19 Q 4.3183 7.6068 117.9190 55.7985 29.4379 174.7634 20 N 4.4996 7.9398 115.1388 53.7285 42.9179 173.4527 21 L 5.1185 7.7139 116.6488 53.8014 46.4219 174.6273 22 C 5.5396 9.2990 118.0304 55.3150 38.7785 172.8035 23 Y 5.4248 8.0262 118.9025 55.5232 41.4057 174.5992 24 T 4.4366 8.7982 117.9555 61.8037 71.6190 173.1074 25 K 4.5018 8.9856 130.3909 55.2030 33.5364 175.1747 26 T 4.7313 8.1993 119.1466 59.6053 70.8900 173.6970 27 W 5.5672 8.6693 121.5825 56.2249 32.5329 173.0727 28 C 4.9857 9.0375 115.6542 58.6588 41.4755 172.2217 29 D 4.5278 9.3485 124.8669 54.8733 45.7003 177.5440 30 A 3.6784 7.7563 129.2283 55.6241 19.2333 181.3201 31 W 4.2494 6.3465 114.5746 59.2194 29.2211 177.8976 32 C 4.9087 7.9836 117.5399 56.3984 42.9514 175.1969 33 G 3.6933 7.6004 110.0996 48.0120 0.0000 174.0407 34 S 4.5325 7.2636 112.9848 59.0309 66.2252 174.5455 35 R 4.6549 7.7604 117.1273 56.3610 33.1658 176.7312 36 G 4.1132 7.9347 107.2932 43.7918 0.0000 174.7561 37 K 4.2079 7.8128 117.1740 57.0636 33.4841 178.4713 38 V 4.6057 8.5142 123.5064 61.4561 34.9153 174.6337 39 I 5.1731 8.1357 125.5880 60.3651 41.1744 173.6376 40 E 4.4957 8.1715 128.7056 54.9429 30.8968 174.6400 41 L 5.1039 7.7410 127.2338 52.7208 44.5042 177.1495 42 G 3.5767 6.4622 105.5562 46.5287 0.0000 172.4463 43 C 5.6023 8.7879 120.3822 55.3109 41.6430 174.4740 44 A 4.8061 9.1066 123.1395 50.8047 22.0631 177.5780 45 A 4.0530 8.9188 124.3630 55.0708 18.7632 178.1081 46 T 4.5888 7.4994 103.3353 59.8003 71.5552 173.7673 47 C 3.8921 8.9321 123.2367 56.6913 43.6045 172.0738 48 P 4.5583 0.0000 0.0000 62.4517 32.0399 175.2243 49 T 4.5591 7.9549 108.5035 60.0721 71.0375 173.4975 50 V 4.5502 7.7663 114.4724 60.0533 36.5231 176.0886 51 E 4.5087 8.0232 118.9328 56.9842 28.3963 175.9933 52 S 4.2992 7.7270 109.2874 59.6096 63.0763 175.1484 53 Y 4.3559 7.8401 122.7390 59.3982 38.2036 176.4091 54 Q 4.7970 6.6256 119.8438 54.6120 30.8968 174.1276 55 D 4.9930 8.6936 123.4964 52.8421 45.4292 173.6756 56 I 5.6512 7.8579 119.9419 59.8079 41.5820 173.9592 57 K 4.7000 8.4804 125.2774 54.8686 35.9169 173.9729 58 C 5.4420 8.8831 119.8905 54.3989 41.0284 173.5502 59 C 5.0866 9.0852 117.9446 55.4268 45.2456 174.1747 60 S 4.8542 8.0108 112.6696 57.8815 63.2421 173.7910 61 T 4.1593 7.3481 111.4174 61.9770 69.8593 173.2739 62 D 4.0067 8.0829 127.2965 56.3950 39.2010 178.2402 63 D 4.5185 7.4331 117.0275 56.1296 41.1805 175.5550 64 C 4.8302 8.1918 116.5220 56.5093 41.7275 172.6676 65 N 4.9779 8.3712 117.5002 52.5599 38.6995 170.3161 66 P 5.1312 0.0000 0.0000 61.9337 34.4717 173.8270 67 H 4.6086 8.4073 118.5346 54.3897 30.2084 174.7225 68 P 4.1276 0.0000 0.0000 64.4768 31.3267 176.0605 69 K 4.4467 7.5617 118.4979 53.8045 33.7350 175.2408 70 Q 3.7565 8.9358 123.6515 58.7658 27.7107 177.7178 71 K 4.6712 8.2659 112.5559 53.7749 36.6336 177.1880 72 R 4.0713 8.3625 119.2330 55.7789 30.7174 175.2157 73 P 4.4255 0.0000 0.0000 62.9428 31.3366 176.4659 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 I 7.87 4.26 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.31 0.89 0.00 0.00 2 T 7.99 5.45 4.07 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 0.00 0.00 0.00 1.18 0.00 0.00 3 C 8.97 4.96 0.00 2.70 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.67 5.92 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 5 K 8.66 4.28 0.00 1.66 1.77 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.77 1.41 7.81 6 T 8.46 4.18 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 1.27 0.00 0.00 7 P 0.00 4.31 0.00 2.16 2.00 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 8 I 8.54 3.66 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.88 0.00 0.00 9 P 0.00 4.45 0.00 2.17 2.13 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 10 I 7.00 3.79 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.69 0.00 0.00 11 T 8.52 4.85 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 1.32 0.00 0.00 12 S 9.00 5.58 0.00 3.49 3.85 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 0.00 0.00 0.00 13 E 8.34 4.81 0.00 1.96 1.95 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 2.21 2.25 0.00 14 T 8.32 5.13 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 1.25 0.00 0.00 15 C 8.48 4.72 0.00 2.83 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 16 A 8.36 4.37 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 17 P 0.00 4.43 0.00 2.19 2.09 0.00 3.74 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 1.99 1.97 0.00 18 G 9.01 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 19 Q 7.61 4.32 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 20 N 7.94 4.50 0.00 2.61 2.73 0.00 0.00 6.73 7.77 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 21 L 7.71 5.12 0.00 1.92 1.51 0.94 0.70 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 22 C 9.30 5.54 0.00 2.80 2.89 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 23 Y 8.03 5.42 0.00 2.98 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 24 T 8.80 4.44 4.20 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 1.11 0.00 0.00 25 K 8.99 4.50 0.00 1.72 0.74 0.00 1.23 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.41 0.57 7.81 26 T 8.20 4.73 4.20 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 1.11 0.00 0.00 27 W 8.67 5.57 0.00 3.70 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 28 C 9.04 4.99 0.00 3.04 3.17 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 0.00 29 D 9.35 4.53 0.00 1.94 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 0.00 0.00 0.00 30 A 7.76 3.68 0.46 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 0.00 0.00 31 W 6.35 4.25 0.00 3.58 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 32 C 7.98 4.91 0.00 3.33 3.26 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 33 G 7.60 3.69 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 0.00 0.00 0.00 34 S 7.26 4.53 0.00 3.84 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 35 R 7.76 4.65 0.00 1.76 1.89 0.00 3.22 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 36 G 7.93 4.11 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 0.00 0.00 0.00 37 K 7.81 4.21 0.00 1.73 1.87 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.68 7.81 38 V 8.51 4.61 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.54 0.00 0.00 39 I 8.14 5.17 1.68 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.93 0.75 0.00 0.00 40 E 8.17 4.50 0.00 2.25 1.57 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 0.00 2.50 2.47 0.00 41 L 7.74 5.10 0.00 1.45 1.43 1.10 0.86 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 42 G 6.46 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.79 5.60 0.00 2.86 2.90 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 44 A 9.11 4.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.92 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 4.59 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 1.21 0.00 0.00 47 C 8.93 3.89 0.00 2.95 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 48 P 0.00 4.56 0.00 1.99 1.84 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 49 T 7.95 4.56 4.20 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 1.18 0.00 0.00 50 V 7.77 4.55 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 0.85 0.00 0.00 0.87 0.00 0.00 51 E 8.02 4.51 0.00 1.92 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.52 0.00 52 S 7.73 4.30 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.84 4.36 0.00 3.16 3.17 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 0.00 54 Q 6.63 4.80 0.00 2.18 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 55 D 8.69 4.99 0.00 2.81 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 5.65 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 0.91 0.00 0.00 57 K 8.48 4.70 0.00 1.66 1.62 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.37 7.81 58 C 8.88 5.44 0.00 2.97 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 59 C 9.09 5.09 0.00 2.83 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.85 0.00 3.92 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 61 T 7.35 4.16 4.19 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 1.21 0.00 0.00 62 D 8.08 4.01 0.00 1.58 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.43 4.52 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.19 4.83 0.00 2.91 3.16 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 65 N 8.37 4.98 0.00 2.70 2.57 0.00 0.00 6.79 7.31 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 66 P 0.00 5.13 0.00 2.18 2.26 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 67 H 8.41 4.61 0.00 3.11 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.13 0.00 2.01 2.09 0.00 3.41 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 69 K 7.56 4.45 0.00 1.64 1.78 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.50 7.81 70 Q 8.94 3.76 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 71 K 8.27 4.67 0.00 1.80 1.74 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.35 7.81 72 R 8.36 4.07 0.00 1.82 1.92 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 73 P 0.00 4.43 0.00 2.04 1.96 0.00 3.72 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 2.03 2.08 0.00