NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.1500 8.3027 121.4700 56.8688 30.7657 176.0506 13 E 3.9807 8.9350 117.2956 56.0822 29.3433 172.9881 14 M 4.8412 8.9220 119.9167 55.0618 33.9339 175.3488 15 Q 4.5838 7.9381 114.3597 56.0760 35.1786 177.0523 16 R 4.1484 7.9963 115.3447 57.8513 30.0857 178.3064 17 R 4.0706 7.9079 118.6120 58.5681 30.2812 177.1769 18 A 4.2265 7.6234 117.8006 53.3131 18.6542 177.7054 19 D 4.6015 7.7108 116.0810 56.0874 42.3332 177.8084 20 Q 3.9985 7.8363 119.3911 59.0987 28.9687 178.1196 21 L 4.1343 8.0302 119.5323 56.9631 41.9262 178.9283 22 A 4.0849 7.8168 120.3631 54.6583 18.2651 179.3789 23 D 4.2394 8.1620 117.8461 57.5266 40.9655 178.3397 24 E 3.9188 7.8729 119.7457 59.3903 29.5319 178.9772 25 S 4.0834 8.1173 114.9778 61.5157 63.0397 176.2613 26 L 3.9228 7.6827 122.3201 58.5229 41.8409 178.9636 27 E 4.0143 8.5241 118.5743 59.2538 29.2052 179.4664 28 S 4.0842 8.3456 114.0239 61.6043 62.4225 176.3631 29 T 3.8764 8.1703 112.3551 64.4167 68.2866 176.6851 30 R 3.9647 7.7268 120.8264 59.1569 30.3265 178.8503 31 R 3.9558 8.0965 117.8278 59.3851 29.9060 178.7715 32 M 4.0000 8.2354 118.6890 58.4633 32.0612 178.2790 33 L 3.9435 7.6650 120.2247 58.4878 40.8995 179.1941 34 Q 4.0686 7.9529 116.7659 58.8985 28.1064 178.0437 35 L 4.1585 7.9830 122.7041 57.6579 41.9752 179.1006 36 V 3.5549 8.0531 118.9570 65.6979 31.3777 177.3666 37 E 4.5420 7.8719 114.0517 56.9173 29.8644 177.1016 38 E 4.4214 7.5453 119.9705 58.0627 30.5996 178.1543 39 S 4.0746 7.4405 115.1039 61.2906 62.9754 176.0286 40 K 4.0405 8.1845 122.6022 60.0037 31.8575 178.2364 41 D 4.3692 8.1534 117.9882 57.3643 40.7112 178.6213 42 A 4.0874 8.1000 121.3362 55.0389 18.3653 179.6269 43 G 3.6181 8.9032 105.6689 48.0895 0.0000 175.6727 44 I 3.7401 7.8667 116.2607 63.4680 37.4071 178.0370 45 R 3.8547 8.0032 120.2808 59.6302 29.8324 178.4503 46 T 3.8431 8.0390 115.4790 66.5974 68.5170 176.3813 47 L 3.8745 8.4460 121.1504 58.1924 41.6490 180.2219 48 V 3.5588 8.0851 117.9890 66.1901 31.4860 177.9645 49 M 4.0268 8.0291 118.4030 58.4378 31.7432 178.5155 50 L 3.9517 8.5591 119.4522 57.9306 41.8573 179.1508 51 D 4.2751 7.9408 117.5726 57.5280 41.2162 177.9955 52 E 3.9875 8.3750 119.6553 59.2479 29.5059 178.7426 53 Q 4.5488 7.7866 119.9197 57.9060 28.7614 178.4870 54 G 3.6234 8.3748 107.2910 47.7206 0.0000 175.4786 55 E 4.2110 8.0255 122.1604 58.8019 29.2531 179.4700 56 Q 3.9916 7.6283 116.4543 59.0849 28.6993 179.0108 57 L 4.0161 8.0299 119.9008 57.7365 41.4071 179.3766 58 D 4.3308 8.3280 119.2558 57.5464 40.7824 179.0759 59 R 4.0399 8.3089 118.8702 58.9480 29.9328 179.3701 60 V 3.5229 8.2100 118.5575 65.9630 31.5830 177.5214 61 E 3.8964 8.7965 119.8420 59.4973 29.3613 178.4579 62 E 4.0437 8.6339 119.6561 59.2263 29.6842 178.9899 63 G 3.4102 8.5130 106.3290 47.7850 0.0000 175.4431 64 M 4.0458 8.1877 120.5680 58.7193 32.4585 178.1285 65 N 4.3745 8.2981 116.7364 56.4290 38.5035 176.8944 66 H 4.0392 8.8821 120.4701 59.4355 30.0179 177.5091 67 I 3.8074 8.3936 121.9201 63.9630 36.5336 177.9651 68 N 4.2873 8.1181 118.4658 56.8069 38.9927 176.8832 69 Q 4.0857 7.9714 117.8773 58.6141 28.8539 177.8854 70 D 4.4541 7.8789 121.6127 57.6297 40.8231 178.4457 71 M 4.1451 8.2421 119.1341 57.7451 31.8596 178.6510 72 K 3.9990 7.6406 119.9613 59.6537 32.3318 178.6095 73 E 3.9523 7.8082 117.0815 59.3402 29.3419 179.2445 74 A 3.9746 8.0500 120.7588 55.0794 18.2872 179.2680 75 E 3.8984 8.9750 118.4886 59.7264 29.6836 179.9672 76 K 4.1636 8.1371 118.2716 59.7011 32.6499 178.9879 77 N 4.3608 8.4051 118.2454 56.1945 38.2810 177.2505 78 L 4.0888 8.1898 119.5095 57.2018 41.8384 179.2105 79 K 4.2034 7.5523 117.3169 59.0441 32.0836 178.7490 80 D 4.3775 7.9433 118.2197 57.4142 40.7450 178.6704 81 L 4.2401 7.6921 118.6033 56.9067 42.3902 177.7849 82 G 3.8221 7.9105 108.9481 45.0469 0.0000 173.8127 83 K 4.2069 7.9002 122.1161 56.5464 31.5291 177.0503 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 12 E 8.30 4.15 0.00 2.08 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 0.00 2.27 2.42 0.00 13 E 8.94 3.98 0.00 2.22 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 0.00 2.17 2.30 0.00 14 M 8.92 4.84 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 15 Q 7.94 4.58 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 16 R 8.00 4.15 0.00 1.82 1.97 0.00 3.28 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 17 R 7.91 4.07 0.00 2.10 1.90 0.00 3.22 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 18 A 7.62 4.23 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 19 D 7.71 4.60 0.00 2.70 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 20 Q 7.84 4.00 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 21 L 8.03 4.13 0.00 1.75 1.69 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.82 4.08 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 23 D 8.16 4.24 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 3.92 0.00 2.14 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 2.31 2.40 0.00 25 S 8.12 4.08 0.00 3.97 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 26 L 7.68 3.92 0.00 1.85 1.82 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.52 4.01 0.00 2.19 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 2.46 0.00 28 S 8.35 4.08 0.00 3.95 4.05 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 29 T 8.17 3.88 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 1.29 0.00 0.00 30 R 7.73 3.96 0.00 2.04 2.00 0.00 3.13 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 1.90 0.00 31 R 8.10 3.96 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 32 M 8.24 4.00 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 33 L 7.66 3.94 0.00 1.85 1.78 0.92 1.03 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 34 Q 7.95 4.07 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 35 L 7.98 4.16 0.00 2.08 1.86 0.92 0.71 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 36 V 8.05 3.55 2.20 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 1.08 0.00 0.00 0.98 0.00 0.00 37 E 7.87 4.54 0.00 2.18 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 2.41 2.33 0.00 38 E 7.55 4.42 0.00 2.18 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 2.21 2.31 0.00 39 S 7.44 4.07 0.00 4.01 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 40 K 8.18 4.04 0.00 1.80 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.51 7.81 41 D 8.15 4.37 0.00 2.94 2.71 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 0.00 0.00 0.00 0.00 42 A 8.10 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.90 3.62 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 0.00 0.00 0.00 44 I 7.87 3.74 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 1.54 0.61 0.98 0.00 0.00 45 R 8.00 3.85 0.00 2.11 2.15 0.00 3.09 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 1.63 1.68 0.00 46 T 8.04 3.84 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 1.21 0.00 0.00 47 L 8.45 3.87 0.00 1.81 1.75 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.09 3.56 2.29 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 1.11 0.00 0.00 0.96 0.00 0.00 49 M 8.03 4.03 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 50 L 8.56 3.95 0.00 1.96 1.73 0.92 1.18 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 51 D 7.94 4.28 0.00 2.91 2.82 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 0.00 0.00 0.00 52 E 8.37 3.99 0.00 2.11 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 0.00 2.31 2.40 0.00 53 Q 7.79 4.55 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 54 G 8.37 3.62 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 0.00 0.00 0.00 55 E 8.03 4.21 0.00 2.22 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 2.33 2.39 0.00 56 Q 7.63 3.99 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 57 L 8.03 4.02 0.00 1.86 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.33 4.33 0.00 2.91 2.71 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 0.00 0.00 0.00 0.00 59 R 8.31 4.04 0.00 1.95 1.97 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 60 V 8.21 3.52 2.28 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 1.07 0.00 0.00 1.01 0.00 0.00 61 E 8.80 3.90 0.00 2.03 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 0.00 2.31 2.33 0.00 62 E 8.63 4.04 0.00 2.13 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 2.35 2.35 0.00 63 G 8.51 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.19 4.05 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 65 N 8.30 4.37 0.00 2.93 2.85 0.00 0.00 6.71 7.67 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 66 H 8.88 4.04 0.00 3.40 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.39 3.81 2.01 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 1.43 0.95 0.92 0.00 0.00 68 N 8.12 4.29 0.00 2.94 3.01 0.00 0.00 6.87 6.49 0.00 0.00 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 Q 7.97 4.09 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 70 D 7.88 4.45 0.00 3.03 2.77 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 0.00 0.00 0.00 0.00 71 M 8.24 4.15 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 72 K 7.64 4.00 0.00 1.81 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 73 E 7.81 3.95 0.00 2.22 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 2.32 2.47 0.00 74 A 8.05 3.97 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 75 E 8.98 3.90 0.00 2.14 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 2.33 2.52 0.00 76 K 8.14 4.16 0.00 2.00 2.06 0.00 1.31 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.47 7.81 77 N 8.41 4.36 0.00 2.92 2.90 0.00 0.00 6.87 6.36 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 78 L 8.19 4.09 0.00 1.85 1.74 0.92 0.81 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 79 K 7.55 4.20 0.00 2.03 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.64 7.81 80 D 7.94 4.38 0.00 2.78 2.74 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 81 L 7.69 4.24 0.00 1.75 1.73 0.92 1.36 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 82 G 7.91 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.90 4.21 0.00 1.93 1.96 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.41 7.81