NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6699 8.4244 118.1257 52.8654 40.0023 173.5480 2 Q 3.8573 8.5749 123.5966 55.4697 29.8084 173.6057 3 A 4.7450 9.1985 127.8978 51.0586 22.2931 175.2064 4 S 5.6232 8.3656 114.3236 55.8191 68.2250 173.1223 5 V 4.3545 8.0826 119.2993 61.8381 32.8565 174.9513 6 V 5.1455 8.2111 123.8357 60.3781 35.6040 173.9839 7 A 4.5582 8.6539 127.4962 52.3786 19.0564 177.2990 8 N 4.9448 8.6875 118.1205 54.0759 41.2350 173.8466 9 Q 4.4968 7.6744 114.2459 54.5001 32.2753 174.3903 10 L 4.1138 8.4935 120.8598 55.5322 41.6136 175.5104 11 I 4.3387 8.2269 128.3333 59.4254 38.3028 173.7960 12 P 4.5437 0.0000 0.0000 61.9438 32.3840 176.1019 13 I 3.7231 8.3157 121.8399 61.6432 38.9574 174.5262 14 N 4.3752 8.1096 121.3313 54.9033 36.7990 174.3853 15 T 4.8419 7.5588 111.8016 61.5099 73.0140 173.2805 16 A 4.6902 8.4802 125.3484 51.6913 19.8821 177.5560 17 L 4.4943 8.5209 121.5968 54.8043 43.8815 175.7344 18 T 4.9338 7.8310 108.6260 60.8041 71.8468 174.3441 19 L 4.0251 8.6108 120.1512 57.8573 42.0590 179.0466 20 V 3.7532 7.8192 117.4937 66.1006 31.9285 177.0888 21 M 4.1796 8.0319 118.9446 57.8234 32.0381 175.9635 22 M 4.8976 7.3496 117.6131 54.2202 34.1271 175.7121 23 R 4.6487 8.0259 116.9340 55.8509 33.6210 173.0549 24 S 4.8348 8.0611 113.4534 56.5426 65.2781 173.3751 25 E 4.8254 8.2431 120.6824 55.5514 33.8114 175.1293 26 V 4.2184 8.5723 126.7212 62.7175 32.1302 175.4657 27 V 4.5636 8.2389 119.7249 60.1957 35.8807 173.8825 28 T 4.7142 8.0974 114.8622 59.4747 69.8753 171.4991 29 P 4.3997 0.0000 0.0000 61.9042 32.2762 176.0804 30 V 3.7538 7.8854 114.4718 61.6856 32.6681 175.6620 31 G 4.0595 8.3981 114.1234 46.2744 0.0000 176.1677 32 I 4.2034 6.8585 125.8182 60.4057 38.1027 173.6969 33 P 5.4355 0.0000 0.0000 61.3495 33.2230 176.4006 34 A 4.1772 8.5632 120.7208 53.2790 18.4851 177.4727 35 E 4.6164 7.5875 115.1352 56.4054 29.4586 176.3825 36 D 4.9578 7.6723 117.7116 54.3107 42.4352 178.1134 37 I 3.7235 8.1329 122.2915 64.0329 37.2296 176.3562 38 P 4.3511 0.0000 0.0000 63.8629 31.5721 176.7591 39 R 4.4008 7.4478 117.4822 57.3787 30.8687 176.5962 40 L 4.6717 7.3824 117.3531 54.5698 42.1722 176.5796 41 V 4.0063 7.7255 117.6078 63.1371 32.5133 175.1490 42 S 3.8786 8.2383 120.4128 59.9401 61.1507 171.6602 43 M 4.5268 7.8568 118.8326 54.3716 33.8194 175.2700 44 Q 5.3170 8.3896 121.7486 53.8672 30.6313 176.0235 45 V 4.2886 8.3981 117.8590 60.4005 33.7282 175.9808 46 N 5.1661 7.6539 116.4856 52.2285 37.5523 174.6284 47 R 4.4665 7.3781 112.2993 56.3284 31.6265 173.5478 48 A 4.0428 8.7974 122.6499 52.3309 19.1480 177.5656 49 V 4.2648 8.3224 122.9883 60.4257 33.2791 173.4160 50 P 4.8262 0.0000 0.0000 61.3704 33.4754 175.7266 51 L 3.8566 8.5027 119.1246 55.7806 42.0721 177.3276 52 G 3.7921 8.1024 109.8620 46.2734 0.0000 172.6326 53 T 4.4561 7.2536 115.6972 62.4011 73.1508 173.7890 54 T 4.3023 8.6865 123.9948 63.5135 69.2136 173.9841 55 L 3.9305 8.5482 130.1759 55.7593 43.2751 176.5566 56 M 4.7654 8.5296 126.2525 53.2556 33.8866 175.4297 57 P 4.6207 0.0000 0.0000 65.2106 32.1721 177.4878 58 D 4.5540 8.1147 117.9776 56.2375 39.7201 177.5028 59 M 4.0580 7.9944 119.9987 57.7593 32.4242 176.1391 60 V 3.7612 7.4458 118.7239 61.6170 31.1502 175.2770 61 K 4.2896 7.9415 128.6773 58.1027 32.0571 176.3893 62 G 4.0520 9.0971 113.2103 46.1094 0.0000 172.6891 63 Y 4.0017 7.7557 119.9749 56.8168 37.7692 174.0765 64 A 4.6001 7.7209 129.2255 49.8275 22.0309 176.0072 65 A 4.1029 8.2315 120.7806 52.5918 18.7843 177.5897 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 N 8.42 4.67 0.00 2.73 2.82 0.00 0.00 6.90 6.81 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 2 Q 8.57 3.86 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 3 A 9.20 4.75 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 8.37 5.62 0.00 3.76 3.80 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 5 V 8.08 4.35 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 1.29 0.00 0.00 0.95 0.00 0.00 6 V 8.21 5.15 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 1.17 0.00 0.00 0.92 0.00 0.00 7 A 8.65 4.56 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 8 N 8.69 4.94 0.00 2.74 2.90 0.00 0.00 7.01 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 9 Q 7.67 4.50 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 10 L 8.49 4.11 0.00 1.66 1.67 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.23 4.34 2.07 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 1.27 0.82 0.90 0.00 0.00 12 P 0.00 4.54 0.00 2.07 2.04 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 13 I 8.32 3.72 1.95 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 0.85 0.91 0.00 0.00 14 N 8.11 4.38 0.00 2.93 2.89 0.00 0.00 6.73 7.42 0.00 0.00 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 7.56 4.84 4.31 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 1.21 0.00 0.00 16 A 8.48 4.69 1.22 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 0.00 0.00 0.00 17 L 8.52 4.49 0.00 1.65 1.58 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.83 4.93 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 8.61 4.03 0.00 1.65 1.76 0.92 0.85 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 20 V 7.82 3.75 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 0.74 0.00 0.00 0.93 0.00 0.00 21 M 8.03 4.18 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 22 M 7.35 4.90 0.00 1.81 2.03 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.43 0.00 23 R 8.03 4.65 0.00 1.88 2.00 0.00 2.71 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 24 S 8.06 4.83 0.00 3.86 3.86 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 25 E 8.24 4.83 0.00 2.02 1.76 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 2.05 2.23 0.00 26 V 8.57 4.22 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 0.85 0.00 0.00 0.93 0.00 0.00 27 V 8.24 4.56 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 0.84 0.00 0.00 0.97 0.00 0.00 28 T 8.10 4.71 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 4.40 0.00 2.22 2.03 0.00 3.82 0.00 0.00 3.65 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 30 V 7.89 3.75 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 0.89 0.00 0.00 0.93 0.00 0.00 31 G 8.40 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 0.00 0.00 0.00 32 I 6.86 4.20 1.83 0.00 0.00 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 1.21 0.91 0.75 0.00 0.00 33 P 0.00 5.44 0.00 2.13 2.21 0.00 3.99 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.85 0.00 34 A 8.56 4.18 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 35 E 7.59 4.62 0.00 1.93 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 2.31 2.28 0.00 36 D 7.67 4.96 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.72 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 1.45 0.94 0.90 0.00 0.00 38 P 0.00 4.35 0.00 2.19 2.17 0.00 3.68 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 2.00 1.99 0.00 39 R 7.45 4.40 0.00 1.79 2.17 0.00 3.33 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 40 L 7.38 4.67 0.00 1.59 1.55 0.40 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.73 4.01 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 0.90 0.00 0.00 1.01 0.00 0.00 42 S 8.24 3.88 0.00 4.11 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.53 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 44 Q 8.39 5.32 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.22 0.00 45 V 8.40 4.29 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 0.89 0.00 0.00 0.97 0.00 0.00 46 N 7.65 5.17 0.00 2.83 2.87 0.00 0.00 6.85 7.69 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 47 R 7.38 4.47 0.00 1.78 1.89 0.00 3.04 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 48 A 8.80 4.04 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 8.32 4.26 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 0.93 0.00 0.00 0.97 0.00 0.00 50 P 0.00 4.83 0.00 2.11 2.07 0.00 3.82 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 1.97 1.99 0.00 51 L 8.50 3.86 0.00 1.53 1.64 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.10 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 0.00 0.00 0.00 53 T 7.25 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 1.20 0.00 0.00 54 T 8.69 4.30 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 1.30 0.00 0.00 55 L 8.55 3.93 0.00 1.74 1.47 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.53 4.77 0.00 2.29 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 57 P 0.00 4.62 0.00 2.42 2.59 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 58 D 8.11 4.55 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 7.99 4.06 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 60 V 7.45 3.76 2.12 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 0.94 0.00 0.00 0.89 0.00 0.00 61 K 7.94 4.29 0.00 1.90 1.78 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.10 4.05 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 0.00 0.00 0.00 63 Y 7.76 4.00 0.00 3.01 3.08 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 64 A 7.72 4.60 1.14 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 0.00 0.00 65 A 8.23 4.10 1.22 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 0.00 0.00 0.00