NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4418 8.2893 120.3261 54.3745 33.2951 176.1004 2 P 4.3114 0.0000 0.0000 62.0249 29.3211 174.1069 3 R 4.7318 8.4772 127.4574 55.4700 33.6243 175.7960 4 L 5.0475 8.3140 119.3620 53.1001 44.1992 175.9307 5 K 4.7161 8.8975 126.3501 55.4907 32.3890 174.5997 6 V 4.6270 8.3868 120.3865 59.4528 33.8645 174.8042 7 K 4.8708 8.3699 126.0265 54.2518 35.1705 174.7154 8 L 4.4436 8.4263 129.8928 55.6978 42.1102 176.9374 9 V 3.9616 8.4492 119.7507 62.9180 32.7726 176.9330 10 K 4.2271 7.7798 120.0482 54.9803 32.9935 176.2434 11 S 4.2287 8.5126 120.8037 57.9237 63.1569 172.3270 12 P 4.1599 0.0000 0.0000 64.5350 31.7847 175.5939 13 I 3.7454 7.2818 119.3925 64.2458 37.0092 174.3134 14 G 4.2598 9.3793 118.1713 46.3969 0.0000 173.4472 15 Y 4.2265 7.9949 117.7100 56.6847 38.8527 175.2140 16 P 4.4896 0.0000 0.0000 62.3607 32.2901 177.9017 17 K 3.9707 8.8444 121.2034 59.6812 31.6545 179.0564 18 D 4.3874 8.1495 118.1542 56.7918 38.7917 178.5972 19 Q 4.1222 8.1803 119.2215 58.7297 28.8220 178.9144 20 K 4.2513 8.0260 118.5714 59.1311 31.8913 178.7186 21 A 4.1619 8.1128 119.6106 53.7846 18.5385 179.0486 22 A 4.1401 9.1313 120.5024 54.8504 18.9138 179.4497 23 L 3.8798 7.8712 117.0496 58.1014 40.2002 179.6644 24 K 4.0688 8.1196 118.8739 59.2650 31.8099 178.4206 25 A 4.1768 8.2166 120.4334 54.1270 18.3658 178.7431 26 L 4.3362 7.1400 116.3316 54.9225 42.3754 177.7413 27 G 3.9493 8.8201 106.0709 45.9566 0.0000 174.3763 28 L 5.4385 7.3200 119.8322 52.1271 40.3154 176.5680 29 R 3.9408 7.5717 120.6676 57.4697 30.6312 177.6089 30 R 3.9469 8.1959 117.5546 56.7352 31.4264 175.9555 31 L 4.0746 8.1849 123.8168 56.3445 42.6451 176.7264 32 Q 4.2480 8.8008 124.3995 55.1896 27.5538 173.2680 33 Q 4.1482 7.8025 121.2613 56.1890 29.9613 175.0443 34 E 4.6349 8.5760 125.5077 55.7240 31.8455 175.6566 35 R 4.3834 8.2674 118.6413 55.8127 34.3435 173.6496 36 V 5.2690 8.4415 119.8007 59.3769 33.1827 175.2820 37 L 4.6952 8.1302 126.2196 54.4471 45.8250 173.6203 38 E 4.7271 8.5744 124.8089 57.3933 32.0940 176.2611 39 D 4.6349 8.2475 110.2122 53.7835 42.1357 174.4445 40 T 4.5350 7.2901 112.3788 59.4465 71.9572 174.2825 41 P 4.2744 0.0000 0.0000 65.3824 30.5503 178.8280 42 A 3.9346 7.8524 119.3986 55.2843 18.7993 179.4077 43 I 3.8647 7.7803 118.0020 64.5633 37.0280 179.0767 44 R 4.1166 8.4569 118.5786 60.7581 30.0256 179.5768 45 G 3.6704 8.0680 102.2964 46.8476 0.0000 175.7179 46 N 4.2618 8.1747 118.4196 55.7222 38.8095 177.5723 47 V 3.5180 7.0824 116.7751 66.3968 31.5994 177.7074 48 E 4.0922 8.5181 118.2717 59.3219 29.1610 178.9723 49 K 3.8989 7.7257 118.3279 59.0414 32.1991 178.0903 50 V 3.9563 7.8836 110.3076 60.5839 31.5678 177.2607 51 A 4.0708 7.9850 125.3487 55.8099 18.1527 179.7357 52 H 4.6334 8.0674 106.9869 56.8239 28.9010 175.2995 53 L 4.6923 8.8996 119.7938 54.1560 43.9180 175.9892 54 V 4.8589 7.6835 117.9977 60.9929 35.3290 175.1828 55 R 4.4935 8.5310 123.8112 54.4453 31.7327 176.2451 56 V 4.3923 8.2551 124.2043 62.3317 33.2189 174.4753 57 E 4.8324 7.8902 120.4328 55.6070 33.6010 174.7102 58 V 4.6092 8.5215 125.7570 61.4985 33.2833 175.6550 59 V 4.0903 8.1473 126.1304 63.2713 31.3678 174.3874 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 8.29 4.44 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 P 0.00 4.31 0.00 2.25 2.10 0.00 3.80 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 2.11 2.04 0.00 3 R 8.48 4.73 0.00 1.79 2.02 0.00 3.34 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 4 L 8.31 5.05 0.00 1.53 1.51 0.98 0.88 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 5 K 8.90 4.72 0.00 1.85 1.71 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 6 V 8.39 4.63 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 0.98 0.00 0.00 7 K 8.37 4.87 0.00 1.78 1.60 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.30 1.47 7.81 8 L 8.43 4.44 0.00 1.69 1.53 0.94 0.86 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 9 V 8.45 3.96 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 0.72 0.00 0.00 0.99 0.00 0.00 10 K 7.78 4.23 0.00 1.70 1.62 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.29 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 11 S 8.51 4.23 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 12 P 0.00 4.16 0.00 2.24 2.18 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 13 I 7.28 3.75 1.93 0.00 0.00 0.88 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 0.56 0.95 0.00 0.00 14 G 9.38 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 0.00 0.00 0.00 0.00 15 Y 7.99 4.23 0.00 3.01 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 16 P 0.00 4.49 0.00 2.49 1.97 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 17 K 8.84 3.97 0.00 1.78 1.89 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.47 7.81 18 D 8.15 4.39 0.00 2.84 2.84 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 19 Q 8.18 4.12 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 20 K 8.03 4.25 0.00 1.81 1.86 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.55 7.81 21 A 8.11 4.16 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 22 A 9.13 4.14 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 23 L 7.87 3.88 0.00 1.85 1.71 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.12 4.07 0.00 1.83 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 A 8.22 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.14 4.34 0.00 1.91 1.71 0.89 0.94 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 27 G 8.82 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.32 5.44 0.00 1.60 1.60 0.89 1.03 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 29 R 7.57 3.94 0.00 1.79 1.78 0.00 3.22 0.00 0.00 3.22 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 30 R 8.20 3.95 0.00 1.86 1.86 0.00 3.12 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 31 L 8.18 4.07 0.00 1.59 1.56 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.80 4.25 0.00 2.13 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 33 Q 7.80 4.15 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 34 E 8.58 4.63 0.00 1.88 1.84 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 2.25 2.28 0.00 35 R 8.27 4.38 0.00 1.82 1.70 0.00 3.06 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 36 V 8.44 5.27 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 0.90 0.00 0.00 0.93 0.00 0.00 37 L 8.13 4.70 0.00 1.53 1.43 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.57 4.73 0.00 1.90 1.87 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 2.25 2.34 0.00 39 D 8.25 4.63 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.29 4.53 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 41 P 0.00 4.27 0.00 2.18 2.14 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 2.11 2.15 0.00 42 A 7.85 3.93 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 43 I 7.78 3.86 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 1.55 1.13 0.90 0.00 0.00 44 R 8.46 4.12 0.00 2.11 2.16 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 45 G 8.07 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 0.00 0.00 0.00 46 N 8.17 4.26 0.00 2.97 2.87 0.00 0.00 6.79 7.56 0.00 0.00 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 V 7.08 3.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.01 0.00 0.00 48 E 8.52 4.09 0.00 2.05 1.98 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 2.62 2.44 0.00 49 K 7.73 3.90 0.00 1.78 1.95 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.53 7.81 50 V 7.88 3.96 1.93 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 0.72 0.00 0.00 0.94 0.00 0.00 51 A 7.99 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.07 4.63 0.00 3.33 3.48 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.90 4.69 0.00 1.34 1.46 0.37 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.68 4.86 2.03 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 0.77 0.00 0.00 0.91 0.00 0.00 55 R 8.53 4.49 0.00 1.78 1.82 0.00 3.17 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 56 V 8.26 4.39 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 0.72 0.00 0.00 0.92 0.00 0.00 57 E 7.89 4.83 0.00 2.14 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 2.06 2.10 0.00 58 V 8.52 4.61 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 0.81 0.00 0.00 0.93 0.00 0.00 59 V 8.15 4.09 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