NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2567 0.0000 0.0000 61.3703 33.3019 177.1339 17 S 3.4689 8.0780 110.3824 58.7378 60.9174 170.1973 18 R 4.5018 7.9542 114.8687 54.8389 30.1365 176.6171 19 K 4.1494 8.2281 118.8049 56.6831 33.4099 177.8355 20 A 4.7602 7.0964 123.3098 51.5955 20.6636 175.6562 21 K 4.5540 7.7179 119.3257 54.0753 32.6418 177.9609 22 V 3.3256 8.4504 124.4798 66.0202 31.2397 177.6293 23 K 3.8985 8.3646 120.4186 59.5652 32.3745 178.1404 24 A 4.0314 7.8663 120.3477 55.6772 18.6386 178.8378 25 T 4.3859 6.9853 112.0511 62.1974 68.1530 174.0017 26 L 4.4380 7.4317 120.0158 54.4158 46.0631 174.7144 27 G 4.1854 8.3681 111.7402 44.5497 0.0000 172.9328 28 E 4.1683 8.6302 119.3538 56.0447 30.3359 176.1295 29 F 4.8465 7.3217 115.6702 55.5443 40.8748 173.2397 30 D 4.4940 8.7539 123.3600 53.7476 41.3521 177.1060 31 L 4.1583 8.5592 127.1989 57.4642 41.8170 177.8778 32 R 4.4350 9.3964 117.0069 55.8470 30.3124 176.3356 33 D 4.5858 7.8875 117.9435 53.9419 39.5436 176.8338 34 Y 4.6440 8.2400 125.3802 56.6285 37.4263 177.5850 35 R 4.4480 8.3432 118.8106 56.6404 32.7995 176.1092 36 N 4.6172 8.0520 118.8430 52.7987 37.8625 176.3898 37 V 3.3164 7.6699 119.9742 65.6858 32.1226 176.5906 38 E 4.2989 8.0804 115.4876 57.3845 30.0689 177.3091 39 V 4.0599 8.5770 119.8873 63.3665 32.7910 177.5204 40 L 4.0294 7.8275 119.8256 57.2483 41.6915 179.4269 41 K 3.8996 7.6188 117.9032 59.8522 31.8387 178.4074 42 R 3.8412 8.5319 118.0356 59.2327 30.2006 178.0158 43 F 4.2448 8.7470 114.4499 58.1427 38.7798 174.7519 44 L 5.0692 7.4086 121.0284 52.7750 43.6836 176.7505 45 S 4.4907 8.7451 116.5475 57.6182 64.3918 175.1443 46 E 4.1669 8.6023 116.1909 57.7511 28.5170 176.3825 47 T 4.7465 8.0004 115.9044 61.4465 72.9319 173.9588 48 G 3.9588 9.2246 111.0326 49.3680 0.0000 174.0021 49 K 4.2539 7.3601 117.7585 52.8986 33.3087 174.8028 50 I 4.5566 8.0882 123.5597 60.0045 37.8237 175.8142 51 L 4.1286 8.6948 128.2914 54.7698 42.1506 175.8139 52 P 4.4841 0.0000 0.0000 62.3740 32.5638 177.8530 53 R 3.8206 8.7361 121.9771 59.7149 30.3720 178.8524 54 R 3.9135 8.1431 115.3527 59.1139 29.3173 177.2196 55 R 4.2584 8.6880 117.9991 57.3974 31.4315 179.2803 56 T 3.7608 7.4847 107.5324 64.9048 69.5438 175.8416 57 G 4.0036 8.2591 110.0037 44.4200 0.0000 173.9304 58 L 4.4609 8.1576 118.9982 54.7665 41.8792 175.5459 59 S 4.8377 8.2980 112.7911 56.3862 65.9366 174.9339 60 G 3.7999 8.8801 109.0803 49.0261 0.0000 175.5425 61 K 4.0708 8.1457 120.2625 59.8017 31.9590 177.6893 62 E 3.7723 8.3056 116.8197 59.4926 29.0817 179.4932 63 Q 4.0082 8.1753 120.7747 59.5574 29.5071 179.8281 64 R 3.9252 7.8693 120.0934 59.2180 30.0640 178.5858 65 I 3.7287 9.0155 120.3369 64.2609 37.2278 177.9418 66 L 3.8511 8.0483 120.3520 58.4473 41.3621 178.1574 67 A 4.0020 7.5574 120.1724 54.5373 18.4924 179.0010 68 K 3.9308 7.9733 114.2922 59.8456 32.3121 179.3359 69 T 3.9495 7.7376 115.6023 67.1547 68.5825 176.4881 70 I 3.7631 7.5232 120.4097 63.4653 37.0544 178.5165 71 K 4.0058 8.4979 120.2948 59.1061 32.3689 178.7810 72 R 3.8135 7.9173 117.4585 59.5415 29.6062 178.4625 73 A 4.1192 8.4563 120.2726 55.4601 17.8518 179.7146 74 R 4.4349 7.2809 116.2428 58.8763 29.8609 179.0224 75 I 3.9664 7.3777 117.5766 64.3515 37.9273 179.8877 76 L 4.4553 8.1753 120.4312 56.8872 40.3098 177.5689 77 G 4.3019 7.4965 101.7880 46.4924 0.0000 174.9346 78 L 4.1921 8.2833 122.1054 56.4953 42.1187 177.4687 79 L 4.7313 7.3912 117.6888 51.7856 44.0741 174.7634 80 P 5.0597 0.0000 0.0000 62.8782 32.1581 175.6875 81 F 4.6045 8.3639 114.5528 57.1796 40.8434 175.8994 82 T 4.2758 7.0774 111.9539 61.5778 69.5622 171.4317 83 E 4.6994 8.7907 127.0508 53.9898 32.4319 175.9877 84 K 3.8897 8.7443 122.8921 56.7508 32.7988 175.8307 85 L 4.2034 8.2709 123.1917 54.2174 42.8399 176.3736 86 V 4.3099 9.5510 125.4957 64.3036 33.0821 173.2333 87 R 4.7797 9.2747 130.4915 53.5726 28.9259 174.8907 88 K 4.1704 8.6277 131.1443 57.8438 33.0507 174.6609 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 16 P 0.00 4.26 0.00 2.23 2.37 0.00 3.78 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 1.97 1.96 0.00 17 S 8.08 3.47 0.00 4.10 3.98 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 0.00 0.00 0.00 18 R 7.95 4.50 0.00 1.85 1.89 0.00 3.37 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 19 K 8.23 4.15 0.00 1.70 1.83 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.47 7.81 20 A 7.10 4.76 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.72 4.55 0.00 1.87 1.76 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.63 7.81 22 V 8.45 3.33 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.67 0.00 0.00 23 K 8.36 3.90 0.00 2.12 1.88 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.55 7.81 24 A 7.87 4.03 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 25 T 6.99 4.39 4.20 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 1.19 0.00 0.00 26 L 7.43 4.44 0.00 1.76 1.90 0.90 0.74 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 27 G 8.37 4.19 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 0.00 28 E 8.63 4.17 0.00 1.95 1.81 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 2.28 2.31 0.00 29 F 7.32 4.85 0.00 3.12 3.04 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 0.00 0.00 0.00 0.00 30 D 8.75 4.49 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 4.16 0.00 1.67 1.72 0.89 1.17 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 32 R 9.40 4.43 0.00 1.71 1.98 0.00 3.12 0.00 0.00 3.01 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 33 D 7.89 4.59 0.00 2.90 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 Y 8.24 4.64 0.00 3.17 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 35 R 8.34 4.45 0.00 1.60 1.78 0.00 3.03 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 36 N 8.05 4.62 0.00 3.00 2.71 0.00 0.00 6.60 7.19 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 37 V 7.67 3.32 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 0.95 0.00 0.00 0.97 0.00 0.00 38 E 8.08 4.30 0.00 2.09 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 0.00 2.24 2.22 0.00 39 V 8.58 4.06 2.10 0.00 0.00 0.00 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 0.47 0.00 0.00 40 L 7.83 4.03 0.00 1.70 1.79 0.90 0.65 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 41 K 7.62 3.90 0.00 1.98 1.88 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.51 7.81 42 R 8.53 3.84 0.00 1.52 1.57 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 43 F 8.75 4.24 0.00 3.18 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 44 L 7.41 5.07 0.00 1.80 1.74 0.90 0.89 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 45 S 8.75 4.49 0.00 3.95 4.04 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 0.00 0.00 0.00 0.00 46 E 8.60 4.17 0.00 1.96 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 2.31 2.38 0.00 47 T 8.00 4.75 4.25 0.00 0.00 0.00 0.00 0.00 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 48 G 9.22 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 0.00 0.00 0.00 49 K 7.36 4.25 0.00 1.85 1.73 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.54 7.81 50 I 8.09 4.56 1.89 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 1.33 0.50 0.94 0.00 0.00 51 L 8.69 4.13 0.00 1.67 1.65 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.48 0.00 2.09 1.97 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 53 R 8.74 3.82 0.00 1.86 2.02 0.00 3.35 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 54 R 8.14 3.91 0.00 1.81 2.03 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 55 R 8.69 4.26 0.00 1.82 1.84 0.00 3.31 0.00 0.00 3.22 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 56 T 7.48 3.76 4.65 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 0.00 0.00 1.46 0.00 0.00 57 G 8.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.16 4.46 0.00 1.69 1.87 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.30 4.84 0.00 4.00 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 60 G 8.88 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 0.00 0.00 0.00 61 K 8.15 4.07 0.00 1.83 1.79 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 8.31 3.77 0.00 2.28 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 2.31 2.34 0.00 63 Q 8.18 4.01 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 64 R 7.87 3.93 0.00 2.07 2.11 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 65 I 9.02 3.73 1.98 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 1.39 0.56 0.90 0.00 0.00 66 L 8.05 3.85 0.00 1.51 1.56 -0.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.56 4.00 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 68 K 7.97 3.93 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 69 T 7.74 3.95 4.21 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 0.00 0.00 1.26 0.00 0.00 70 I 7.52 3.76 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.21 0.84 0.00 0.00 71 K 8.50 4.01 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.64 7.81 72 R 7.92 3.81 0.00 2.04 1.87 0.00 3.04 0.00 0.00 2.90 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 73 A 8.46 4.12 1.40 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 0.00 0.00 0.00 74 R 7.28 4.43 0.00 1.75 1.08 0.00 2.81 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.18 0.00 75 I 7.38 3.97 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.71 0.96 0.00 0.00 76 L 8.18 4.46 0.00 1.81 1.74 1.17 0.80 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 77 G 7.50 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 0.00 0.00 0.00 0.00 78 L 8.28 4.19 0.00 1.83 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.39 4.73 0.00 1.59 1.42 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.06 0.00 2.23 2.13 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 1.98 2.00 0.00 81 F 8.36 4.60 0.00 2.94 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.08 4.28 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 1.29 0.00 0.00 83 E 8.79 4.70 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 84 K 8.74 3.89 0.00 1.75 1.79 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.47 7.81 85 L 8.27 4.20 0.00 1.59 1.56 0.92 0.87 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 86 V 9.55 4.31 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 0.90 0.00 0.00 0.93 0.00 0.00 87 R 9.27 4.78 0.00 1.94 1.17 0.00 3.54 0.00 0.00 3.15 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 88 K 8.63 4.17 0.00 1.89 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.42 7.81