NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.6279 8.0033 121.7005 57.6602 38.9493 175.1001 12 Q 3.9173 8.0453 127.3055 56.4783 29.4520 174.5926 13 T 3.9732 7.0328 111.8722 60.2160 71.3270 172.6843 14 A 3.8203 8.3868 127.2967 52.1618 18.4711 176.1843 15 P 4.7019 0.0000 0.0000 61.2007 33.0359 175.4890 16 F 4.2575 8.7083 120.6561 58.3101 39.7190 173.8938 17 D 4.5986 7.6521 126.6660 51.8487 41.9226 175.7097 18 S 3.7164 8.4381 122.4535 61.2843 62.7814 176.5965 19 R 3.8238 7.9453 115.8682 57.8783 29.7308 176.6228 20 F 4.9022 8.2931 117.6297 55.2496 38.6103 173.0470 21 P 4.8099 0.0000 0.0000 62.8941 32.0397 176.2548 22 N 5.1019 7.7330 116.5405 51.1059 41.4284 174.9792 23 Q 3.8354 8.7752 120.5983 59.2654 29.0097 176.7352 24 N 4.6530 7.7500 115.6751 52.9367 38.4162 174.3557 25 Q 4.4738 8.5671 124.5372 56.3166 30.0650 178.0040 26 T 4.2221 8.4402 116.6238 67.2953 68.4503 176.1517 27 R 4.2554 8.1775 118.8120 58.7884 30.0336 178.4835 28 N 3.1400 8.3123 117.7743 56.0956 38.8865 175.9902 29 C 4.3866 8.1540 119.3462 59.5007 43.4335 175.1197 30 W 4.0984 8.3351 129.3972 60.5111 30.3081 177.3126 31 Q 3.9269 8.8396 120.0527 59.6177 28.5087 178.3938 32 N 4.1314 7.8453 117.2618 56.4061 38.4533 176.7460 33 Y 3.4337 8.0455 120.8774 60.3819 38.6833 178.3602 34 L 3.7215 7.5975 119.7132 57.7628 41.6659 178.7533 35 D 4.2562 8.3476 119.2203 57.7501 40.6440 178.6165 36 F 4.4807 8.7142 120.8314 62.1574 39.3851 176.7314 37 H 3.3864 7.7475 115.4558 58.7219 28.4139 178.2016 38 R 3.8363 8.0440 120.0772 59.3113 30.0643 178.5982 39 C 4.1176 8.3391 118.7717 62.4449 31.3968 174.7650 40 E 3.7410 8.1104 121.7787 58.2597 29.1246 178.2820 41 K 3.7371 8.1369 119.1802 59.7765 32.0992 178.0724 42 A 3.9336 7.7870 119.2340 55.7682 18.5115 178.9778 43 M 4.1003 7.8832 115.7774 58.8700 31.8964 179.1042 44 T 3.8271 7.8413 114.3688 66.3333 69.2867 176.1095 45 A 4.4165 8.0826 121.5569 51.5242 18.7004 176.7842 46 K 4.0710 8.1236 126.1566 56.2411 35.6873 173.4265 47 G 3.8946 8.1612 111.0725 43.4763 0.0000 174.3790 48 G 3.6939 7.9884 104.9366 45.5526 0.0000 174.0389 49 D 4.3067 8.9243 113.9990 54.3878 39.2561 174.2246 50 V 3.2297 7.5275 115.9113 63.5364 29.6071 171.6727 51 S 4.4671 7.6426 115.4658 58.3152 64.3977 174.5060 52 V 4.2316 7.8291 114.5713 60.5277 34.9055 175.6842 53 C 4.3727 8.4136 121.9992 57.1979 28.3704 173.2480 54 E 4.1074 8.2678 128.7959 59.4012 29.7036 177.0186 55 W 4.3765 8.2832 128.2541 61.1906 30.7450 177.4223 56 Y 4.5209 8.0308 115.5730 60.9439 37.2990 178.6573 57 R 3.2146 8.1488 120.0832 59.0985 29.9431 178.5070 58 R 3.4527 7.4184 115.9955 59.2373 30.1999 178.7621 59 V 3.6376 7.4646 119.5321 65.3130 31.6349 177.5718 60 Y 4.3424 7.9706 117.2309 60.0093 37.3442 178.8705 61 K 3.6871 7.2643 119.8761 59.2446 32.1628 179.1570 62 S 4.2185 7.6385 114.2788 61.6078 62.8904 176.4002 63 L 4.1352 7.6720 119.5710 56.5371 42.0710 178.4471 64 C 4.2944 7.7404 116.2764 55.5349 35.5262 171.9760 65 P 4.2775 0.0000 0.0000 62.2003 32.0002 177.0123 66 I 3.6334 8.4741 122.0074 65.1209 36.9169 178.3950 67 S 4.1413 8.0769 114.9332 61.5275 62.5584 176.7248 68 W 3.5254 7.9168 120.8813 59.5523 28.6365 178.6825 69 V 3.6584 7.5278 117.3899 66.1057 31.0760 177.7719 70 S 4.2018 8.4659 115.4968 62.1577 62.7746 177.0891 71 T 4.0053 8.1040 112.1934 64.3383 68.3794 176.7330 72 W 4.6067 8.3099 122.3747 59.8350 29.0572 177.9979 73 D 4.4187 8.7059 119.1460 57.7144 40.2950 178.3374 74 D 4.4914 8.2612 119.1989 57.9063 40.7969 179.7038 75 R 4.1349 8.1054 119.3972 58.9607 29.9249 179.4043 76 R 3.9430 8.1282 116.7279 58.9542 30.0810 178.8604 77 A 4.1650 8.4087 121.4711 55.0605 18.3590 178.9575 78 E 4.3389 8.4151 112.9442 56.6122 29.7140 177.4552 79 G 3.9479 7.5811 107.7964 46.8515 0.0000 174.2107 80 T 4.4076 8.1791 108.3638 60.9125 68.9919 173.8452 81 F 4.5309 8.1394 125.6886 57.4444 38.9146 173.9309 82 P 4.4143 0.0000 0.0000 63.5782 31.2511 176.6431 83 G 3.4642 5.9422 108.6497 44.5465 0.0000 173.8313 84 K 4.3248 8.3985 122.8343 54.9519 32.1366 176.6099 85 I 4.0888 8.2498 126.3570 61.4170 37.5164 175.8015 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 11 Y 8.00 4.63 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 3.92 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 13 T 7.03 3.97 4.12 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 0.00 0.00 0.00 1.11 0.00 0.00 14 A 8.39 3.82 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 15 P 0.00 4.70 0.00 2.37 2.24 0.00 3.98 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 2.36 0.00 16 F 8.71 4.26 0.00 3.00 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 17 D 7.65 4.60 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.44 3.72 0.00 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 3.82 0.00 1.37 1.86 0.00 2.86 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.50 0.00 20 F 8.29 4.90 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.81 0.00 2.38 2.45 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 22 N 7.73 5.10 0.00 2.82 2.81 0.00 0.00 6.67 7.62 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 23 Q 8.78 3.84 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 24 N 7.75 4.65 0.00 2.82 2.81 0.00 0.00 7.20 6.96 0.00 0.00 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 Q 8.57 4.47 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 26 T 8.44 4.22 4.38 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 1.49 0.00 0.00 27 R 8.18 4.26 0.00 2.07 2.42 0.00 3.58 0.00 0.00 3.65 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 28 N 8.31 3.14 0.00 2.32 2.63 0.00 0.00 6.68 7.68 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 29 C 8.15 4.39 0.00 3.17 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.34 4.10 0.00 3.58 3.28 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 31 Q 8.84 3.93 0.00 2.56 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 32 N 7.85 4.13 0.00 2.80 2.95 0.00 0.00 6.75 7.34 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 33 Y 8.05 3.43 0.00 2.80 2.70 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 34 L 7.60 3.72 0.00 1.65 1.45 0.66 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.35 4.26 0.00 2.41 1.62 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 36 F 8.71 4.48 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.75 3.39 0.00 2.85 3.04 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.04 3.84 0.00 2.00 1.93 0.00 3.10 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 39 C 8.34 4.12 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.74 0.00 1.42 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 41 K 8.14 3.74 0.00 1.90 1.89 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 42 A 7.79 3.93 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 43 M 7.88 4.10 0.00 2.04 2.19 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 2.59 3.04 0.00 44 T 7.84 3.83 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 1.19 0.00 0.00 45 A 8.08 4.42 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 46 K 8.12 4.07 0.00 1.65 2.03 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.28 7.81 47 G 8.16 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 0.00 0.00 0.00 48 G 7.99 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.92 4.31 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.53 3.23 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 0.73 0.00 0.00 0.92 0.00 0.00 51 S 7.64 4.47 0.00 4.03 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 52 V 7.83 4.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 53 C 8.41 4.37 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.27 4.11 0.00 2.11 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 2.33 2.34 0.00 55 W 8.28 4.38 0.00 3.38 2.93 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 56 Y 8.03 4.52 0.00 3.36 3.36 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 57 R 8.15 3.21 0.00 1.03 1.45 0.00 2.53 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 58 R 7.42 3.45 0.00 1.19 0.73 0.00 3.05 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.00 59 V 7.46 3.64 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 1.06 0.00 0.00 0.29 0.00 0.00 60 Y 7.97 4.34 0.00 3.38 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 61 K 7.26 3.69 0.00 1.55 1.64 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.75 1.20 7.81 62 S 7.64 4.22 0.00 3.98 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 63 L 7.67 4.14 0.00 1.63 1.69 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.74 4.29 0.00 3.24 3.07 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 0.00 0.00 0.00 65 P 0.00 4.28 0.00 1.77 1.69 0.00 2.34 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 66 I 8.47 3.63 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.38 0.89 0.00 0.00 67 S 8.08 4.14 0.00 3.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 7.92 3.53 0.00 2.94 1.74 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 69 V 7.53 3.66 2.24 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 1.76 0.00 0.00 1.17 0.00 0.00 70 S 8.47 4.20 0.00 3.99 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 71 T 8.10 4.01 4.28 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 1.20 0.00 0.00 72 W 8.31 4.61 0.00 3.32 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.71 4.42 0.00 2.94 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 74 D 8.26 4.49 0.00 3.02 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 75 R 8.11 4.13 0.00 2.52 2.38 0.00 3.30 0.00 0.00 3.76 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 76 R 8.13 3.94 0.00 1.80 1.84 0.00 2.53 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.14 0.00 77 A 8.41 4.17 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 78 E 8.42 4.34 0.00 2.15 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 0.00 2.64 2.46 0.00 79 G 7.58 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 80 T 8.18 4.41 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 81 F 8.14 4.53 0.00 3.11 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 82 P 0.00 4.41 0.00 2.06 2.03 0.00 3.27 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 1.61 1.78 0.00 83 G 5.94 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.40 4.32 0.00 1.71 1.76 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.51 7.81 85 I 8.25 4.09 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.82 0.00 0.00