NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4919 8.3049 118.7942 53.8955 33.3399 175.8781 2 L 4.1288 8.1820 123.4599 53.3753 43.8102 176.9470 3 Q 4.0519 8.7584 120.2944 58.8590 28.9788 178.5580 4 K 3.8859 8.0763 120.4845 59.4195 32.2290 178.3761 5 K 4.1921 7.8517 119.0798 58.9378 32.1970 178.7946 6 I 3.7614 7.7063 120.4915 64.4220 36.9557 178.2294 7 E 3.9821 8.3773 119.4894 59.1057 29.1768 178.8713 8 E 3.9024 7.9349 119.6888 59.3875 29.4356 179.1046 9 I 3.6923 7.3734 117.9719 64.3164 37.3850 177.9472 10 A 4.2487 8.3222 121.5984 55.0205 18.2851 179.5473 11 A 3.9105 8.3339 119.6693 55.2914 18.2993 179.6924 12 K 3.6683 7.5002 116.3782 59.4960 32.1548 177.7062 13 Y 4.5787 7.1944 114.8864 57.6348 38.3994 175.9632 14 K 4.0196 7.4448 120.4112 57.5791 32.5814 176.4493 15 H 4.1986 8.8664 120.9489 56.6691 26.6294 177.2778 16 S 4.1415 8.2342 116.8410 61.6138 62.5979 176.2172 17 V 3.5760 7.7364 120.4560 66.0408 31.3966 177.8111 18 V 3.6210 7.9154 117.4525 66.1185 31.2602 177.6993 19 K 3.9439 8.2367 117.9180 59.7852 31.9300 179.5318 20 K 4.1258 8.3882 118.6885 59.6217 31.9088 179.0105 21 C 4.5024 8.5767 117.0599 59.8704 41.3688 175.1314 22 C 4.3527 8.5090 120.3465 59.9689 38.6203 174.7638 23 Y 4.0083 7.8517 120.4919 61.0298 38.0694 178.0664 24 D 4.4672 8.3724 118.4719 57.4541 41.3669 178.7527 25 G 2.3147 8.1144 106.1444 47.0919 0.0000 175.3531 26 A 3.9590 7.4900 121.5289 53.1336 18.8324 177.6162 27 C 4.0627 6.7860 115.9082 58.8558 28.8450 174.0782 28 V 3.6918 8.0214 123.6807 63.7571 31.9432 175.7386 29 N 4.8106 8.0497 118.5770 52.8162 40.1800 174.4014 30 N 4.3160 8.3889 119.3488 55.7394 39.3753 176.2888 31 D 4.5414 7.5234 118.1166 56.5745 41.0768 176.6695 32 E 4.9825 8.2140 116.5683 53.8917 33.2511 176.2947 33 T 4.2738 9.1783 112.7996 61.2831 71.0872 175.2400 34 C 4.2987 8.7270 119.3662 60.5396 40.1475 176.3271 35 E 3.9577 8.2154 119.3471 59.5377 28.8704 179.2805 36 Q 4.0188 7.6543 116.9630 59.1345 29.0235 178.8925 37 R 4.0755 8.2740 118.8068 59.2268 30.2860 179.0039 38 A 3.5645 8.5443 120.6914 54.8245 18.0872 179.3572 39 A 3.9362 7.7955 118.7138 55.4572 18.5098 179.1489 40 R 4.0108 7.5604 114.3001 58.0284 30.5609 177.3999 41 I 3.6552 7.0999 119.5950 61.5370 37.2608 175.9371 42 S 4.5814 8.4600 117.7271 57.9197 63.5651 174.0007 43 L 4.3162 7.5667 121.5167 53.7571 43.1260 176.2921 44 G 3.9184 8.2065 106.2835 43.8318 0.0000 172.4258 45 P 4.2605 0.0000 0.0000 65.6654 31.3195 178.8997 46 R 3.9378 8.1019 116.3578 59.6153 29.8867 179.4130 47 C 4.3278 8.1240 117.3878 59.7507 42.3878 175.4601 48 I 3.6716 7.7307 121.3902 64.2933 36.6910 178.6115 49 K 3.9842 8.3048 119.0951 59.4761 31.9041 179.2958 50 A 4.0451 7.9754 120.8060 55.1034 18.2168 179.3864 51 F 4.2039 8.6630 119.5370 61.7458 39.3811 177.6104 52 T 3.9689 8.1709 115.2816 66.5944 68.3484 176.2641 53 E 3.9094 8.5625 121.5933 59.7997 29.5967 178.3758 54 C 4.2268 8.2759 116.3295 59.9043 40.5131 175.2020 55 C 4.5587 8.0458 121.6637 59.0682 42.8385 175.8678 56 V 3.4958 7.9698 120.0075 66.0579 31.1961 178.1546 57 V 3.5504 7.9220 117.8349 65.9691 31.3898 177.8421 58 A 3.9884 8.1328 120.5921 55.1192 18.1396 179.8405 59 S 4.0413 8.1045 113.7733 61.7056 62.8620 176.7200 60 Q 3.9579 8.0445 120.6946 59.0007 28.5588 178.7703 61 L 3.9500 7.8462 119.7421 58.3114 41.5539 180.1568 62 R 4.0463 7.8539 115.5473 58.7404 30.0504 178.7721 63 A 4.1544 7.9134 121.0613 55.0494 18.3837 179.2103 64 N 4.4175 8.6321 113.6352 55.4281 38.5780 175.9224 65 I 4.4108 6.9332 119.3998 61.2261 38.5419 175.8333 66 S 4.1771 7.7238 122.1757 58.9918 63.9851 174.0785 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 M 8.30 4.49 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 L 8.18 4.13 0.00 1.76 1.62 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.76 4.05 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 4 K 8.08 3.89 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 5 K 7.85 4.19 0.00 1.91 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.59 7.81 6 I 7.71 3.76 2.03 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 1.53 0.61 0.93 0.00 0.00 7 E 8.38 3.98 0.00 2.02 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 2.33 2.32 0.00 8 E 7.93 3.90 0.00 2.19 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 0.00 2.28 2.33 0.00 9 I 7.37 3.69 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 1.11 0.00 0.00 10 A 8.32 4.25 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 11 A 8.33 3.91 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.50 3.67 0.00 1.51 1.57 0.00 1.53 0.00 0.00 1.00 0.00 0.00 2.63 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.88 1.22 7.81 13 Y 7.19 4.58 0.00 3.01 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 14 K 7.44 4.02 0.00 1.96 1.72 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.59 7.81 15 H 8.87 4.20 0.00 3.34 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.23 4.14 0.00 3.92 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 17 V 7.74 3.58 2.13 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 1.15 0.00 0.00 0.97 0.00 0.00 18 V 7.92 3.62 2.26 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 1.10 0.00 0.00 0.97 0.00 0.00 19 K 8.24 3.94 0.00 1.96 1.85 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.66 7.81 20 K 8.39 4.13 0.00 1.81 1.93 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 21 C 8.58 4.50 0.00 3.14 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.51 4.35 0.00 3.03 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 23 Y 7.85 4.01 0.00 3.11 3.20 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 0.00 24 D 8.37 4.47 0.00 3.17 3.06 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 25 G 8.11 2.31 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 0.00 26 A 7.49 3.96 1.19 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 0.00 0.00 0.00 27 C 6.79 4.06 0.00 2.67 2.73 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 28 V 8.02 3.69 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 0.75 0.00 0.00 0.88 0.00 0.00 29 N 8.05 4.81 0.00 2.71 2.63 0.00 0.00 7.00 6.71 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 30 N 8.39 4.32 0.00 2.74 2.88 0.00 0.00 7.25 8.06 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 31 D 7.52 4.54 0.00 3.09 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 32 E 8.21 4.98 0.00 1.92 1.89 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 2.24 2.22 0.00 33 T 9.18 4.27 4.26 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 1.22 0.00 0.00 34 C 8.73 4.30 0.00 3.01 3.23 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 35 E 8.22 3.96 0.00 2.07 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 0.00 2.42 2.50 0.00 36 Q 7.65 4.02 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 37 R 8.27 4.08 0.00 2.22 2.21 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 38 A 8.54 3.56 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 39 A 7.80 3.94 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 40 R 7.56 4.01 0.00 1.81 1.94 0.00 3.15 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 41 I 7.10 3.66 1.80 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.01 0.83 0.00 0.00 42 S 8.46 4.58 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 43 L 7.57 4.32 0.00 1.65 1.68 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.18 2.12 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 2.18 0.00 46 R 8.10 3.94 0.00 1.87 2.03 0.00 3.16 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 47 C 8.12 4.33 0.00 3.02 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 48 I 7.73 3.67 2.00 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 1.46 0.55 0.92 0.00 0.00 49 K 8.30 3.98 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 50 A 7.98 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.66 4.20 0.00 3.25 3.24 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 52 T 8.17 3.97 4.44 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 1.26 0.00 0.00 53 E 8.56 3.91 0.00 1.99 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 0.00 2.30 2.36 0.00 54 C 8.28 4.23 0.00 3.03 3.06 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 55 C 8.05 4.56 0.00 2.59 3.06 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 56 V 7.97 3.50 2.13 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 0.92 0.00 0.00 0.97 0.00 0.00 57 V 7.92 3.55 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 0.93 0.00 0.00 0.96 0.00 0.00 58 A 8.13 3.99 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 59 S 8.10 4.04 0.00 4.08 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 60 Q 8.04 3.96 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 61 L 7.85 3.95 0.00 1.89 1.71 0.90 0.71 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 62 R 7.85 4.05 0.00 1.89 1.97 0.00 3.13 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 63 A 7.91 4.15 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 64 N 8.63 4.42 0.00 2.81 2.89 0.00 0.00 7.07 7.90 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 65 I 6.93 4.41 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.90 0.00 0.00 66 S 7.72 4.18 0.00 3.84 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00