NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.1751 8.2616 121.1854 56.1425 34.3813 176.2129 3 L 4.0510 7.7326 120.2806 58.1912 42.5501 177.2433 4 S 4.3158 7.7720 114.2141 60.6949 63.7057 175.5781 5 E 4.1621 8.1107 120.0657 58.7432 29.2569 179.0344 6 V 4.3058 7.4872 120.8703 65.2747 30.5345 177.9954 7 R 4.0152 7.8728 117.4483 59.3949 29.9901 179.0079 8 K 4.4409 7.7749 116.5804 59.0868 31.9824 179.6106 9 Q 3.9410 7.9956 118.7406 58.8392 28.9687 177.9054 10 L 4.2352 8.9724 119.7628 56.2929 41.9313 177.8352 11 E 4.1946 7.4147 118.2686 59.5289 30.3581 178.1116 12 E 3.9698 8.0619 118.2171 59.2917 29.2514 178.9838 13 A 3.9712 8.9294 120.7359 55.5483 18.6036 179.8087 14 R 4.0065 7.7750 115.1625 58.3124 29.6546 178.6169 15 K 4.3583 8.0688 117.9976 57.9307 32.9572 177.6687 16 L 3.8071 7.4280 121.8026 54.4044 43.3080 175.6881 17 S 3.6247 9.0589 116.3666 56.9310 65.8858 171.5775 18 P 4.3249 0.0000 0.0000 64.7309 30.2909 178.3546 19 V 3.7784 9.2401 120.7261 65.0402 31.7233 174.9435 20 E 3.9287 8.2065 118.4338 59.3437 29.4256 178.5128 21 L 3.9613 8.1290 120.2367 58.1192 41.6400 178.4554 22 E 3.9762 7.9112 118.3862 59.4983 29.1916 179.1767 23 K 4.1835 7.6684 116.5560 57.8699 32.5005 178.8689 24 L 4.0453 8.3206 121.9038 58.2226 42.1012 178.8853 25 V 3.7734 7.6178 117.4518 65.1949 31.4541 177.6973 26 R 4.1277 7.5053 113.6284 57.0731 28.8777 175.6241 27 E 4.4770 8.3302 116.1188 55.8742 32.1726 177.6570 28 K 4.0281 8.8493 118.3191 59.6766 32.0908 178.9734 29 K 3.8688 8.2094 118.2299 59.5680 31.8524 178.8577 30 R 3.4063 9.2311 118.9610 59.0856 29.7845 177.3625 31 E 4.3034 8.2070 117.2582 57.2511 30.7475 177.6121 32 L 3.9792 7.9677 119.3046 56.5006 42.3569 179.0385 33 M 4.3414 10.1916 117.8820 57.1027 31.8311 180.8533 34 E 2.7005 6.1135 115.8963 56.1696 33.4059 176.4465 35 L 3.9311 7.9825 119.5247 58.4536 42.5917 179.4783 36 R 4.4809 9.0875 112.6925 56.4919 29.3408 176.6816 37 F 4.8143 8.6425 118.4064 58.5281 41.5666 177.7933 38 Q 3.9690 8.3771 118.8574 58.9505 28.6152 177.6456 39 A 4.9566 7.4955 116.5474 52.5705 18.8209 177.9745 40 S 4.4510 7.9438 112.0534 58.8520 63.8463 175.3885 41 I 4.0470 7.4558 115.0646 61.3835 36.8406 176.0917 42 G 4.1805 8.4257 109.8833 44.8621 0.0000 171.7400 43 Q 4.4995 7.6565 119.5380 55.1032 32.4279 175.0949 44 L 3.8490 8.7349 117.0670 54.5203 38.6742 175.0120 45 S 4.4147 7.7621 113.7259 58.3301 62.5630 174.4839 46 Q 4.5117 8.4909 125.2572 55.9874 29.1216 177.4118 47 N 3.3048 7.4150 112.2425 52.5848 40.4643 176.6737 48 H 3.7357 7.9447 112.8262 59.4149 29.4365 177.1446 49 K 3.7794 7.4061 118.9883 57.1939 32.2399 178.2506 50 I 3.9224 8.0037 121.2379 63.4630 37.9769 178.1432 51 R 3.8326 7.4276 113.5970 59.2887 29.1929 178.4496 52 D 4.3202 8.0663 119.2028 57.2161 40.6461 178.4171 53 L 3.9271 7.1364 120.0469 58.1870 42.5017 178.0261 54 K 3.7879 8.6492 119.5065 60.6455 31.5256 178.5264 55 R 4.1064 9.0857 118.1642 58.4470 29.9720 178.6600 56 Q 4.1488 7.9708 117.4795 57.7984 28.1048 177.4522 57 I 4.2356 7.5564 120.0723 63.3562 38.4039 176.4871 58 A 3.8994 7.7465 119.6304 55.6764 17.9850 179.2964 59 R 4.3883 7.9618 113.0413 58.2248 29.5146 178.8538 60 L 3.9312 7.8584 120.1654 57.9069 41.9934 178.4703 61 L 4.2064 9.3115 117.7157 56.8063 41.6609 179.2738 62 T 3.9409 8.0902 116.9647 66.9733 68.3388 175.8179 63 V 3.6676 7.8610 120.7514 64.6950 31.3081 177.2600 64 L 4.1076 8.0445 121.4254 58.0622 41.8905 179.4392 65 N 4.4420 7.4932 115.4118 55.7428 39.0143 176.4971 66 E 4.1089 9.0964 117.9792 59.6173 29.6465 179.2205 67 K 4.1178 8.4886 119.7438 59.0040 32.0033 179.1533 68 R 3.9760 7.2682 115.0529 57.6850 30.1471 176.4320 69 R 4.5977 7.7326 114.9189 55.5656 30.6165 175.6148 70 Q 5.0325 7.4984 118.8977 56.3519 29.7018 174.2142 71 N 4.8852 7.7146 115.8146 50.7942 39.8719 174.0852 72 A 4.1085 7.9441 123.8284 52.6778 19.0489 176.6035 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 2 K 8.26 5.18 0.00 1.73 1.90 0.00 1.74 0.00 0.00 2.39 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.47 7.81 3 L 7.73 4.05 0.00 1.80 1.62 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.77 4.32 0.00 3.91 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 5 E 8.11 4.16 0.00 2.19 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 0.00 2.31 2.55 0.00 6 V 7.49 4.31 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 1.16 0.00 0.00 1.01 0.00 0.00 7 R 7.87 4.02 0.00 1.89 1.97 0.00 3.15 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 8 K 7.77 4.44 0.00 2.07 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.61 7.81 9 Q 8.00 3.94 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 10 L 8.97 4.24 0.00 1.75 1.64 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.41 4.19 0.00 2.35 1.95 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 2.26 2.63 0.00 12 E 8.06 3.97 0.00 2.17 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 2.32 0.00 13 A 8.93 3.97 1.30 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 0.00 0.00 0.00 14 R 7.78 4.01 0.00 1.99 2.01 0.00 3.28 0.00 0.00 3.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 15 K 8.07 4.36 0.00 2.00 2.05 0.00 1.35 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.46 7.81 16 L 7.43 3.81 0.00 1.99 1.76 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.06 3.62 0.00 4.10 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 18 P 0.00 4.32 0.00 2.28 2.13 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 19 V 9.24 3.78 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 1.27 0.00 0.00 0.93 0.00 0.00 20 E 8.21 3.93 0.00 2.11 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 0.00 2.38 2.57 0.00 21 L 8.13 3.96 0.00 1.97 1.64 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.91 3.98 0.00 2.19 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 0.00 2.34 2.62 0.00 23 K 7.67 4.18 0.00 1.85 1.86 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.43 7.81 24 L 8.32 4.05 0.00 1.63 1.87 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.62 3.77 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 0.98 0.00 0.00 0.93 0.00 0.00 26 R 7.51 4.13 0.00 1.91 1.98 0.00 3.25 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 27 E 8.33 4.48 0.00 2.18 1.86 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 2.17 2.23 0.00 28 K 8.85 4.03 0.00 1.90 1.86 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 29 K 8.21 3.87 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.46 7.81 30 R 9.23 3.41 0.00 1.84 2.04 0.00 3.02 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 31 E 8.21 4.30 0.00 1.99 1.92 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 2.18 2.23 0.00 32 L 7.97 3.98 0.00 1.64 1.87 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 M 10.19 4.34 0.00 2.03 1.48 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 1.67 2.19 0.00 34 E 6.11 2.70 0.00 2.13 1.90 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 2.19 2.22 0.00 35 L 7.98 3.93 0.00 1.68 1.88 1.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.09 4.48 0.00 1.94 2.10 0.00 3.02 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.67 0.00 37 F 8.64 4.81 0.00 3.21 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 38 Q 8.38 3.97 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 39 A 7.50 4.96 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 40 S 7.94 4.45 0.00 4.07 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.46 4.05 1.88 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 1.48 0.64 0.94 0.00 0.00 42 G 8.43 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.66 4.50 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 5.66 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 44 L 8.73 3.85 0.00 1.98 1.96 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.76 4.41 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 46 Q 8.49 4.51 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 47 N 7.41 3.30 0.00 2.91 2.76 0.00 0.00 6.71 8.16 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 48 H 7.94 3.74 0.00 3.43 3.44 0.00 5.48 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.41 3.78 0.00 1.64 1.82 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.18 1.51 7.81 50 I 8.00 3.92 2.03 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 1.59 0.82 0.93 0.00 0.00 51 R 7.43 3.83 0.00 2.05 2.20 0.00 2.79 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 52 D 8.07 4.32 0.00 2.79 2.76 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 0.00 0.00 0.00 53 L 7.14 3.93 0.00 2.06 1.82 0.92 0.64 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 54 K 8.65 3.79 0.00 1.95 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 55 R 9.09 4.11 0.00 1.85 1.97 0.00 3.19 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 56 Q 7.97 4.15 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 57 I 7.56 4.24 1.88 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 1.82 1.22 0.91 0.00 0.00 58 A 7.75 3.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 4.39 0.00 2.04 2.23 0.00 3.14 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 60 L 7.86 3.93 0.00 1.85 1.80 1.03 0.67 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 61 L 9.31 4.21 0.00 1.86 1.69 0.92 0.71 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 62 T 8.09 3.94 4.35 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 1.21 0.00 0.00 63 V 7.86 3.67 2.36 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 1.00 0.00 0.00 1.02 0.00 0.00 64 L 8.04 4.11 0.00 1.71 1.69 0.91 0.75 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 65 N 7.49 4.44 0.00 2.91 2.85 0.00 0.00 6.97 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 9.10 4.11 0.00 2.12 2.23 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 2.39 2.37 0.00 67 K 8.49 4.12 0.00 1.74 1.89 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.59 7.81 68 R 7.27 3.98 0.00 2.11 2.04 0.00 3.39 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 69 R 7.73 4.60 0.00 1.77 1.88 0.00 3.29 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 70 Q 7.50 5.03 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 7.19 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 71 N 7.71 4.89 0.00 2.81 2.73 0.00 0.00 6.81 7.35 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 72 A 7.94 4.11 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00