NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2336 8.3645 123.5824 52.3484 20.2800 180.4588 1 N 4.4753 8.8082 115.2229 53.1535 35.9286 173.5316 2 Q 4.4684 7.9744 121.2761 55.0191 30.7617 177.1661 3 A 4.5426 8.5971 126.5772 51.8790 20.1973 176.0983 4 S 4.8632 8.9936 116.3262 56.1397 67.6552 173.7590 5 V 4.1910 8.6223 122.5333 63.2024 32.3701 175.0686 6 V 4.9052 8.6255 126.8888 60.5811 35.2477 174.2377 7 A 4.4194 8.9663 129.5003 52.3563 18.4996 177.6740 8 N 4.4665 9.4469 122.1782 56.5857 39.5516 174.2763 9 T 4.5888 7.4373 110.8354 60.7859 70.8406 172.4528 10 L 4.2490 8.4846 126.6462 55.3295 43.0471 175.9865 11 I 4.3833 8.8687 127.4691 59.0649 38.6238 173.7633 12 P 4.6754 0.0000 0.0000 61.8688 31.2002 176.4164 13 I 3.6321 8.3707 121.9873 62.0285 39.2370 175.3749 14 N 4.4655 8.3951 123.5976 54.7802 36.7290 174.1128 15 T 4.7589 7.1642 113.4810 61.2718 71.9678 173.8161 16 A 4.4010 8.6226 127.7652 52.0441 19.3907 177.0031 17 L 4.3707 9.0326 123.3021 54.6851 43.2080 176.4387 18 T 4.8650 8.2667 112.3246 59.4748 72.0248 175.0359 19 L 4.0304 8.5117 121.4062 57.9950 41.7673 179.9502 20 V 3.8039 7.6663 109.8343 63.4286 31.8422 176.8032 21 M 4.2819 8.0666 119.4799 56.7044 32.2872 175.4950 22 M 5.3097 7.6860 118.5011 53.3257 35.3769 174.9846 23 R 4.7750 9.0060 119.0164 54.5619 33.6675 173.9835 24 S 5.3359 8.4821 114.2290 57.0519 65.3339 173.6608 25 E 4.6776 8.8644 122.7621 54.7262 33.6252 174.1855 26 V 4.4761 8.3428 125.4721 62.4538 31.9847 175.3954 27 V 4.6286 8.2413 119.9391 59.9835 35.8068 174.8866 28 T 4.6190 8.0765 116.5436 61.0646 71.7675 172.7619 29 P 4.4783 0.0000 0.0000 62.1524 32.2320 176.0608 30 V 3.8677 8.1566 119.0800 62.8158 32.7194 176.0237 31 G 4.3872 8.4206 114.6901 45.5944 0.0000 172.6698 32 I 4.0134 8.5566 123.8242 60.6057 38.4061 174.4570 33 P 4.7881 0.0000 0.0000 62.5293 32.0248 177.5309 34 A 3.9576 8.5273 125.0080 55.2011 18.0676 179.9018 35 E 4.0603 8.1849 115.4466 58.5764 29.8608 177.7536 36 D 4.7770 8.1343 118.7550 54.2047 40.8984 177.9760 37 I 3.6843 7.7299 122.2822 64.1016 37.1331 176.1783 38 P 4.3788 0.0000 0.0000 65.8340 30.7734 178.3271 39 R 3.9974 7.9412 117.4712 59.2200 30.4400 177.9443 40 L 4.2396 8.0648 118.1639 55.6165 41.6430 177.3343 41 V 3.9431 6.7381 118.2291 64.3947 31.6935 176.3192 42 S 4.1179 9.1195 122.4528 58.9103 61.5140 169.9339 43 M 4.4937 7.9172 120.5449 55.2988 33.4809 175.3287 44 T 5.2627 8.2202 116.2379 61.4343 71.7332 174.5031 45 V 4.6165 8.2264 117.2816 60.4793 33.9774 175.9556 46 N 5.1842 8.7874 119.0312 52.4765 38.3588 174.0414 47 R 4.7681 7.6007 113.1404 55.0791 32.1727 174.4066 48 A 4.2078 8.6705 122.9932 52.4237 19.3426 177.0691 49 V 4.1864 8.9364 123.4820 60.3838 33.2678 173.5970 50 P 4.6651 0.0000 0.0000 61.8704 32.8032 175.9777 51 L 4.0201 8.3717 123.6730 57.0477 42.2021 177.5713 52 G 3.9678 8.9433 114.3560 45.3607 0.0000 173.3685 53 T 4.2259 7.6548 117.4128 63.2300 69.8310 174.2978 54 T 4.4605 8.3863 122.8940 63.4196 69.4307 174.1645 55 L 4.1487 8.7679 127.4092 54.9178 42.7667 176.4129 56 M 4.7562 8.4423 123.2225 52.7358 34.4540 175.0767 57 P 4.0001 0.0000 0.0000 65.8902 31.5574 178.2348 58 D 4.5877 8.0141 114.5634 55.1848 39.6393 176.6528 59 M 4.5699 8.1692 119.3517 55.5434 32.3624 175.7339 60 V 4.5057 7.3036 119.7672 60.6006 32.8295 174.8489 61 K 4.2561 8.8118 128.2224 58.3921 31.8246 177.1871 62 G 3.9148 9.1843 112.4444 45.3110 0.0000 171.4760 63 Y 4.3911 7.4791 119.6761 55.8793 39.5438 174.7673 64 A 4.3170 7.5176 128.4767 50.1935 22.4731 175.3384 65 A 4.0009 8.1728 122.4287 52.2246 19.0939 177.4103 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 0 A 8.36 4.23 0.97 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 0.00 0.00 1 N 8.81 4.48 0.00 2.84 2.66 0.00 0.00 6.54 6.57 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 2 Q 7.97 4.47 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 3 A 8.60 4.54 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 4 S 8.99 4.86 0.00 3.69 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.62 4.19 2.02 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 0.86 0.00 0.00 0.91 0.00 0.00 6 V 8.63 4.91 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 1.08 0.00 0.00 0.97 0.00 0.00 7 A 8.97 4.42 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 8 N 9.45 4.47 0.00 2.70 2.98 0.00 0.00 6.97 8.35 0.00 0.00 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 T 7.44 4.59 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 10 L 8.48 4.25 0.00 1.67 1.55 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.87 4.38 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.90 0.00 0.00 12 P 0.00 4.68 0.00 1.93 1.98 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 13 I 8.37 3.63 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 1.35 0.91 0.00 0.00 14 N 8.40 4.47 0.00 2.85 2.88 0.00 0.00 6.76 7.54 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 15 T 7.16 4.76 4.41 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 0.00 0.00 0.00 1.21 0.00 0.00 16 A 8.62 4.40 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 17 L 9.03 4.37 0.00 1.78 1.59 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.27 4.87 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 19 L 8.51 4.03 0.00 1.73 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.67 3.80 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 0.70 0.00 0.00 0.93 0.00 0.00 21 M 8.07 4.28 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 22 M 7.69 5.31 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 9.01 4.78 0.00 1.82 2.01 0.00 2.72 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 24 S 8.48 5.34 0.00 3.75 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 25 E 8.86 4.68 0.00 1.99 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 2.20 2.25 0.00 26 V 8.34 4.48 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 0.83 0.00 0.00 0.89 0.00 0.00 27 V 8.24 4.63 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 0.80 0.00 0.00 0.92 0.00 0.00 28 T 8.08 4.62 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 P 0.00 4.48 0.00 2.17 2.06 0.00 3.75 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 1.98 1.94 0.00 30 V 8.16 3.87 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.42 4.39 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 0.00 32 I 8.56 4.01 1.71 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.65 0.77 0.00 0.00 33 P 0.00 4.79 0.00 2.10 1.99 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 34 A 8.53 3.96 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 35 E 8.18 4.06 0.00 1.95 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 0.00 2.33 2.47 0.00 36 D 8.13 4.78 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.68 1.94 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 1.57 0.51 0.91 0.00 0.00 38 P 0.00 4.38 0.00 2.27 2.32 0.00 3.77 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 2.09 2.03 0.00 39 R 7.94 4.00 0.00 1.87 2.25 0.00 3.45 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 1.66 1.74 0.00 40 L 8.06 4.24 0.00 1.95 1.70 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.74 3.94 2.21 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 0.76 0.00 0.00 0.99 0.00 0.00 42 S 9.12 4.12 0.00 4.06 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 43 M 7.92 4.49 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 44 T 8.22 5.26 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 1.19 0.00 0.00 45 V 8.23 4.62 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 0.86 0.00 0.00 1.00 0.00 0.00 46 N 8.79 5.18 0.00 2.81 3.01 0.00 0.00 6.86 8.51 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 47 R 7.60 4.77 0.00 1.79 1.89 0.00 3.03 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 48 A 8.67 4.21 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 49 V 8.94 4.19 2.06 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 0.77 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.67 0.00 2.10 1.95 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 51 L 8.37 4.02 0.00 1.57 1.59 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.94 3.97 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 0.00 0.00 0.00 53 T 7.65 4.23 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 54 T 8.39 4.46 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 1.24 0.00 0.00 55 L 8.77 4.15 0.00 1.50 1.48 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.44 4.76 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 57 P 0.00 4.00 0.00 2.25 2.38 0.00 3.59 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 2.17 2.09 0.00 58 D 8.01 4.59 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.17 4.57 0.00 2.08 2.16 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 2.55 2.41 0.00 60 V 7.30 4.51 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 1.07 0.00 0.00 0.80 0.00 0.00 61 K 8.81 4.26 0.00 1.88 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.18 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.48 4.39 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.52 4.32 1.04 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 0.00 0.00 65 A 8.17 4.00 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