NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1209 8.3149 120.1068 56.5759 34.0451 176.3652 7 R 3.4313 7.5060 113.1533 55.0781 27.5442 174.9202 8 N 4.7634 8.4781 115.2075 52.6531 38.9892 175.7240 9 E 3.8632 8.2579 120.3519 60.0629 29.3771 178.7209 10 A 3.9346 7.9873 119.8895 55.3645 18.4741 179.2623 11 L 3.8781 7.7457 118.0425 58.2931 42.0562 178.9922 12 R 3.9853 7.7524 118.0448 58.8578 29.8545 178.6059 13 I 3.7201 7.4100 119.7531 64.3214 37.3069 177.5094 14 E 3.9477 8.1871 121.4292 58.7773 29.2708 179.1129 15 S 4.0429 8.0119 112.2388 61.4001 62.5623 176.0224 16 A 4.1205 7.7053 123.2887 54.4561 18.0698 179.7701 17 L 3.9436 8.0386 118.2061 58.1001 42.0047 179.4186 18 L 4.0498 8.3825 119.1426 57.7379 41.3822 179.3354 19 N 4.3143 8.1769 117.0926 56.6460 38.8987 177.0999 20 K 3.9599 8.1077 119.9055 59.8530 32.0256 178.7390 21 I 3.6566 8.0734 119.6422 64.3947 36.7840 177.7917 22 A 3.9970 7.9442 121.5720 55.9293 18.4726 179.3221 23 M 4.1174 8.2239 114.5633 57.7817 32.2871 177.2453 24 L 4.6906 8.4221 117.0327 53.5709 43.8694 174.8258 25 G 3.4282 7.4278 105.1855 44.4019 0.0000 174.0158 26 T 4.4910 8.3776 122.0907 63.7512 68.7141 174.5221 27 E 4.5834 7.9042 121.5442 56.5849 34.3136 177.2384 28 K 4.0844 8.1970 117.7681 59.3520 31.8889 178.8701 29 T 4.1401 7.7635 115.0583 65.8422 68.9828 176.8706 30 A 3.8602 7.7446 121.6072 53.8438 18.2250 178.5604 31 E 4.0729 7.9488 114.8816 57.9229 30.5988 177.7097 32 A 4.0682 7.2503 119.6959 55.0676 18.4141 179.3518 33 V 3.8908 7.4932 109.2150 62.1860 32.5420 177.5493 34 G 3.8379 7.2622 106.3640 44.9321 0.0000 171.9337 35 V 4.0241 7.5124 119.1606 60.9871 32.4616 169.1751 36 D 4.9625 8.1281 125.2099 51.3538 45.0997 176.9667 37 K 3.7813 8.5077 120.1662 60.4271 31.6980 178.3009 38 S 3.9967 8.0468 110.4286 60.6212 62.8156 174.9219 39 Q 4.4337 7.6505 119.4568 57.1638 28.7818 177.4867 40 I 3.7338 7.8082 119.5472 63.7374 37.9568 177.6207 41 S 4.4377 8.0346 115.7620 61.4169 63.0791 176.5234 42 R 4.1241 8.0934 120.0004 58.4702 29.6146 178.8595 43 W 4.3588 8.3894 128.2995 60.4505 30.6140 177.4819 44 K 3.9837 7.6356 116.9701 59.8842 31.6252 177.7316 45 R 4.2269 7.9910 116.2553 58.0305 30.7733 176.9626 46 D 4.4982 7.8196 118.2812 55.2226 40.1317 178.2863 47 W 4.6477 7.7127 119.8141 59.9359 28.8592 177.9660 48 I 3.7816 7.5938 119.1079 64.1896 36.6511 176.3778 49 P 4.2390 0.0000 0.0000 65.7148 31.2183 178.2873 50 K 3.8903 7.9802 117.8430 59.7622 32.1374 178.4092 51 F 4.6950 8.5635 120.8678 61.6927 38.6266 177.2885 52 S 4.0861 8.4256 115.1725 61.4880 62.5021 176.3012 53 M 4.0366 8.4056 121.5302 58.2639 31.9838 177.9564 54 L 3.9606 8.4551 120.8863 58.4134 42.3157 178.9337 55 L 3.9642 8.2166 118.9269 57.6758 41.4275 179.1879 56 A 4.1670 8.0103 120.1674 54.0167 18.4094 179.8287 57 V 3.5934 7.7149 116.7681 65.9940 31.8884 177.4231 58 L 4.2377 8.4550 116.5395 56.6129 41.6133 177.6865 59 E 4.3173 7.7800 117.1984 56.9953 30.4420 176.4455 60 W 4.1331 9.0055 129.6856 59.4602 30.9343 178.1545 61 G 3.2896 8.4347 114.2260 47.2418 0.0000 175.2064 62 V 3.3421 7.1993 115.2483 62.6587 29.9689 174.0242 63 V 3.6504 7.4875 123.5542 64.2848 34.0446 177.2740 64 D 3.8237 7.7880 118.6984 55.7163 41.8350 177.9120 65 D 4.3371 7.6770 117.4039 57.2897 41.4961 178.4900 66 D 4.3071 7.9847 119.2665 57.5917 41.1091 178.1893 67 M 4.1734 8.4111 118.2101 57.7020 32.0734 177.8613 68 A 4.0730 7.9430 121.5321 54.9580 19.2968 179.3297 69 R 3.9612 8.1218 114.4723 60.1661 29.1251 178.2534 70 L 4.0022 7.8827 119.5942 57.0938 41.0821 178.8348 71 A 4.1314 8.2367 120.4405 55.8568 18.2488 179.6295 72 R 3.9193 8.4665 117.0986 59.6759 30.0851 179.1764 73 Q 3.8259 8.3983 119.7143 59.2056 28.6368 179.6319 74 V 3.6412 8.2305 120.3415 66.0674 31.7643 181.7713 75 A 4.3701 7.8066 120.1589 54.5038 18.2389 179.3221 76 A 3.9587 8.4464 119.2927 55.0188 18.0580 178.9716 77 I 4.2198 7.5786 116.9918 62.4769 37.7062 177.0528 78 L 4.5430 7.2361 118.2851 55.0588 41.4675 177.0071 79 T 4.2155 7.4877 121.2093 63.8821 69.5460 173.7111 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 6 K 8.31 4.12 0.00 1.66 1.88 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.39 7.81 7 R 7.51 3.43 0.00 1.76 1.81 0.00 3.05 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.30 0.00 8 N 8.48 4.76 0.00 2.82 2.97 0.00 0.00 6.12 7.66 0.00 0.00 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 E 8.26 3.86 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 10 A 7.99 3.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 3.88 0.00 1.74 1.79 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.75 3.99 0.00 1.91 2.03 0.00 3.13 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 13 I 7.41 3.72 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.69 0.79 0.00 0.00 14 E 8.19 3.95 0.00 2.04 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 2.33 2.24 0.00 15 S 8.01 4.04 0.00 4.09 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 16 A 7.71 4.12 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.04 3.94 0.00 1.91 1.78 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.38 4.05 0.00 1.87 1.76 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.18 4.31 0.00 2.78 2.99 0.00 0.00 7.12 7.09 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 20 K 8.11 3.96 0.00 2.02 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.50 7.81 21 I 8.07 3.66 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 0.97 0.00 0.00 22 A 7.94 4.00 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 23 M 8.22 4.12 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 24 L 8.42 4.69 0.00 1.95 1.68 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.43 3.43 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 26 T 8.38 4.49 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 1.24 0.00 0.00 27 E 7.90 4.58 0.00 1.91 1.82 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 2.23 2.28 0.00 28 K 8.20 4.08 0.00 1.93 1.85 0.00 1.90 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 29 T 7.76 4.14 4.40 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 1.21 0.00 0.00 30 A 7.74 3.86 1.13 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 0.00 0.00 31 E 7.95 4.07 0.00 2.06 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 2.19 2.58 0.00 32 A 7.25 4.07 1.39 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 0.00 0.00 33 V 7.49 3.89 2.04 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 0.78 0.00 0.00 0.65 0.00 0.00 34 G 7.26 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.51 4.02 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 0.42 0.00 0.00 0.73 0.00 0.00 36 D 8.13 4.96 0.00 2.64 2.51 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 37 K 8.51 3.78 0.00 1.84 1.83 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.60 7.81 38 S 8.05 4.00 0.00 3.91 3.90 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 39 Q 7.65 4.43 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 40 I 7.81 3.73 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 0.95 0.00 0.00 41 S 8.03 4.44 0.00 3.96 3.93 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 42 R 8.09 4.12 0.00 2.07 2.09 0.00 3.17 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 43 W 8.39 4.36 0.00 3.80 3.38 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 44 K 7.64 3.98 0.00 1.97 2.07 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.58 7.81 45 R 7.99 4.23 0.00 1.85 1.92 0.00 3.38 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 46 D 7.82 4.50 0.00 2.38 2.62 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 47 W 7.71 4.65 0.00 3.12 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 0.00 0.00 0.00 0.00 48 I 7.59 3.78 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.11 1.00 0.00 0.00 49 P 0.00 4.24 0.00 2.31 2.12 0.00 3.69 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 2.28 2.41 0.00 50 K 7.98 3.89 0.00 2.10 1.96 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.48 7.81 51 F 8.56 4.69 0.00 3.07 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 52 S 8.43 4.09 0.00 4.10 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 53 M 8.41 4.04 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 54 L 8.46 3.96 0.00 1.97 2.03 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.22 3.96 0.00 1.76 1.58 0.64 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.01 4.17 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 57 V 7.71 3.59 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 0.93 0.00 0.00 0.96 0.00 0.00 58 L 8.46 4.24 0.00 1.68 1.75 0.98 1.08 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 59 E 7.78 4.32 0.00 2.13 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 0.00 2.32 2.39 0.00 60 W 9.01 4.13 0.00 3.38 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.29 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 0.00 62 V 7.20 3.34 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 0.88 0.00 0.00 0.94 0.00 0.00 63 V 7.49 3.65 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.77 0.00 0.00 64 D 7.79 3.82 0.00 2.82 2.71 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 0.00 0.00 0.00 65 D 7.68 4.34 0.00 2.72 2.63 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 0.00 0.00 0.00 0.00 66 D 7.98 4.31 0.00 2.97 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 67 M 8.41 4.17 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 68 A 7.94 4.07 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 69 R 8.12 3.96 0.00 2.04 2.23 0.00 2.78 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 70 L 7.88 4.00 0.00 1.66 1.69 0.92 0.77 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 71 A 8.24 4.13 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 72 R 8.47 3.92 0.00 1.99 1.95 0.00 3.12 0.00 0.00 3.16 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 73 Q 8.40 3.83 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 74 V 8.23 3.64 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 0.76 0.00 0.00 0.93 0.00 0.00 75 A 7.81 4.37 1.44 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 0.00 0.00 76 A 8.45 3.96 1.44 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 0.00 0.00 77 I 7.58 4.22 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 1.53 1.47 0.91 0.00 0.00 78 L 7.24 4.54 0.00 1.56 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.49 4.22 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