NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3321 8.3044 120.3428 54.9248 33.2219 174.6425 21 K 3.7156 8.5566 128.2256 54.7054 32.6572 174.6572 22 T 4.3704 8.8044 115.0439 60.9491 70.9778 172.5377 23 E 5.0761 6.8960 119.9957 54.9986 34.2052 175.1424 24 W 5.2147 9.3204 119.3028 53.3951 29.7388 174.8351 25 P 4.3964 0.0000 0.0000 65.2793 31.7909 179.0849 26 E 4.1892 8.2625 116.4371 58.1846 29.9593 178.0317 27 L 4.3783 8.2122 119.4899 55.5856 42.2765 176.9395 28 V 3.8221 7.3576 119.3190 64.2668 31.6838 176.2799 29 G 3.9673 9.1743 116.1390 45.3061 0.0000 173.6334 30 K 4.3753 7.8730 119.7826 55.0047 33.5109 176.4679 31 S 4.7662 8.4882 116.6708 57.7776 64.8735 175.5541 32 V 3.5979 8.3504 123.7878 65.0463 30.9501 178.6532 33 E 3.8746 8.0346 118.6260 59.2756 29.3723 178.7359 34 E 3.8908 8.3059 119.0994 59.0600 29.5973 178.5189 35 A 3.8720 8.0566 120.8473 55.1249 18.4202 179.7005 36 K 3.7114 8.0679 116.9283 59.3672 32.2377 179.3555 37 K 3.8209 7.9176 119.7720 59.5304 32.1814 178.9716 38 V 3.5613 7.8591 118.4547 66.1136 31.4379 178.0401 39 I 3.1095 7.6383 119.8177 64.1769 36.7035 178.4721 40 L 4.2306 7.9547 119.4400 57.3864 41.1064 179.6038 41 Q 4.0189 7.5930 117.4547 58.9814 28.7677 177.8066 42 D 4.7573 8.0131 118.6716 55.6991 42.5474 176.9781 43 K 4.6802 8.4522 120.3606 53.8493 32.2975 174.5466 44 P 4.3955 0.0000 0.0000 63.9925 31.8795 177.2704 45 A 4.4657 7.8506 118.8069 51.6043 19.0294 176.6637 46 A 4.2276 7.8702 119.8566 53.2616 19.3827 178.4254 47 Q 4.3227 9.2656 121.4166 54.7613 29.8279 174.5721 48 I 4.7646 8.0811 125.2871 59.7235 38.9169 175.3100 49 I 4.4420 8.2367 126.6142 59.0692 41.0360 173.9112 50 V 4.5999 8.2931 128.9335 61.5544 32.7014 174.7588 51 L 4.8919 8.5878 126.7984 52.1141 46.3556 174.0929 52 P 4.9557 0.0000 0.0000 62.1797 32.4754 176.7855 53 V 3.9447 8.7876 124.5008 63.1534 31.8573 176.2622 54 G 3.8084 8.7837 109.4821 46.3457 0.0000 173.1886 55 T 4.5727 7.1915 108.5741 59.6565 71.0467 173.5828 56 I 4.4338 7.9841 122.2409 59.9589 38.7587 175.7399 57 V 4.6593 7.9196 116.0536 59.1640 35.5658 175.5904 58 T 4.1061 8.4295 111.3058 62.5472 69.0293 174.1041 59 M 4.6629 8.3328 121.5779 55.0569 32.8344 176.2869 60 A 4.3379 7.9641 120.3591 51.7709 19.8137 177.0651 61 Y 4.7503 8.4782 120.8083 55.8987 40.1690 175.5059 62 R 4.4382 8.3197 127.7268 54.0360 31.7908 176.9182 63 I 3.5831 8.1802 117.5917 62.8895 38.0823 176.6823 64 D 4.5017 7.9340 119.8082 54.1303 40.2453 175.3817 65 R 4.9263 7.6717 121.5514 54.8211 32.7502 175.2030 66 V 4.7762 8.4166 124.3971 61.1650 34.2854 174.6022 67 R 4.4957 8.6569 127.3893 55.7265 31.2831 176.0775 68 L 4.5860 8.6609 123.4019 53.0048 44.4672 175.4248 69 F 5.0608 8.7918 123.3529 56.3588 40.6087 175.3431 70 V 5.0511 8.7075 117.9565 59.4534 34.8999 176.1131 71 D 4.8461 8.8345 124.1254 52.2771 40.7303 177.1725 72 R 4.0936 8.4077 114.4795 58.2001 29.4406 177.0859 73 L 4.3016 7.9988 117.6873 54.5199 42.2578 176.2982 74 D 4.5216 8.1399 118.2812 55.4237 38.7231 173.3129 75 N 5.3002 7.9849 115.1587 51.3800 40.7758 174.6445 76 I 3.9533 8.7271 122.3409 61.6358 37.4778 176.7953 77 A 4.6973 8.9603 127.2123 51.9110 20.2067 175.8039 78 Q 4.5185 7.7129 115.2758 53.6330 32.2772 174.1295 79 V 3.7947 8.4333 123.6478 62.7137 32.0649 173.9430 80 P 4.7987 0.0000 0.0000 62.8950 32.3879 175.6252 81 R 5.4233 8.5227 118.6404 54.5133 32.6755 174.8783 82 V 3.9716 8.8448 121.1962 62.9974 32.6604 176.3560 83 G 2.9444 8.5146 114.4772 45.0829 0.0000 173.1020 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 20 M 8.30 4.33 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 21 K 8.56 3.72 0.00 1.69 1.45 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.48 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.59 1.11 7.81 22 T 8.80 4.37 4.23 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 1.25 0.00 0.00 23 E 6.90 5.08 0.00 1.79 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 2.14 2.21 0.00 24 W 9.32 5.21 0.00 3.36 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.24 2.34 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 26 E 8.26 4.19 0.00 2.19 2.30 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 2.47 2.36 0.00 27 L 8.21 4.38 0.00 1.96 1.76 0.77 0.64 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 28 V 7.36 3.82 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 0.82 0.00 0.00 1.06 0.00 0.00 29 G 9.17 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.38 0.00 1.91 1.75 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.53 7.81 31 S 8.49 4.77 0.00 4.24 3.99 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 0.00 0.00 0.00 32 V 8.35 3.60 2.15 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 0.79 0.00 0.00 0.87 0.00 0.00 33 E 8.03 3.87 0.00 2.05 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 2.40 0.00 34 E 8.31 3.89 0.00 2.03 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 2.29 2.31 0.00 35 A 8.06 3.87 1.28 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 0.00 0.00 36 K 8.07 3.71 0.00 1.88 1.78 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.56 7.81 37 K 7.92 3.82 0.00 1.80 1.91 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 38 V 7.86 3.56 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 1.04 0.00 0.00 0.95 0.00 0.00 39 I 7.64 3.11 1.51 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.38 0.00 0.00 40 L 7.95 4.23 0.00 1.69 1.67 0.89 0.70 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 41 Q 7.59 4.02 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 42 D 8.01 4.76 0.00 3.22 3.02 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 0.00 0.00 0.00 43 K 8.45 4.68 0.00 1.93 1.78 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.49 7.81 44 P 0.00 4.40 0.00 2.08 2.10 0.00 3.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 45 A 7.85 4.47 1.26 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 46 A 7.87 4.23 1.25 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 0.00 0.00 0.00 47 Q 9.27 4.32 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 48 I 8.08 4.76 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.83 0.00 0.00 49 I 8.24 4.44 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.39 0.78 0.00 0.00 50 V 8.29 4.60 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 0.79 0.00 0.00 0.84 0.00 0.00 51 L 8.59 4.89 0.00 1.09 1.44 0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.96 0.00 2.13 2.00 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.79 3.94 2.19 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 0.75 0.00 0.00 0.92 0.00 0.00 54 G 8.78 3.81 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 0.00 0.00 0.00 55 T 7.19 4.57 4.32 0.00 0.00 0.00 0.00 0.00 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 56 I 7.98 4.43 1.89 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 1.41 0.61 0.93 0.00 0.00 57 V 7.92 4.66 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 1.01 0.00 0.00 1.08 0.00 0.00 58 T 8.43 4.11 4.27 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 1.23 0.00 0.00 59 M 8.33 4.66 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 60 A 7.96 4.34 1.28 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 0.00 0.00 61 Y 8.48 4.75 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.32 4.44 0.00 1.72 1.94 0.00 3.17 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 63 I 8.18 3.58 1.86 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 1.46 0.49 0.96 0.00 0.00 64 D 7.93 4.50 0.00 2.82 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 65 R 7.67 4.93 0.00 1.87 1.86 0.00 2.98 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 66 V 8.42 4.78 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 0.83 0.00 0.00 0.93 0.00 0.00 67 R 8.66 4.50 0.00 1.66 1.23 0.00 3.33 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 68 L 8.66 4.59 0.00 1.38 1.47 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.79 5.06 0.00 3.01 2.98 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 70 V 8.71 5.05 2.09 0.00 0.00 0.00 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 1.03 0.00 0.00 71 D 8.83 4.85 0.00 2.91 2.86 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 0.00 0.00 0.00 72 R 8.41 4.09 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 8.00 4.30 0.00 1.82 1.75 0.93 1.11 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 74 D 8.14 4.52 0.00 2.97 2.79 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 75 N 7.98 5.30 0.00 2.92 2.81 0.00 0.00 7.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.73 3.95 2.07 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 1.41 0.97 0.98 0.00 0.00 77 A 8.96 4.70 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 78 Q 7.71 4.52 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 79 V 8.43 3.79 2.15 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 0.95 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.80 0.00 2.32 1.97 0.00 4.03 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 81 R 8.52 5.42 0.00 1.97 1.98 0.00 3.20 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 82 V 8.84 3.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.15 0.00 0.00 83 G 8.51 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00