NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 A 4.2537 8.2649 123.5662 51.9617 20.7269 176.0525 20 D 4.4721 8.0592 115.6594 52.8991 41.8928 171.0460 21 V 4.3083 8.0546 119.8820 61.2413 34.1883 173.7502 22 Y 4.7841 8.1277 123.0886 55.6189 42.0561 174.2687 23 E 4.2607 8.7802 122.2964 56.3204 30.9961 175.5111 24 V 3.8580 8.3384 127.2619 62.4310 31.7036 175.1805 25 E 4.0780 8.9340 130.4485 58.9965 30.2198 175.8344 26 D 4.3164 7.1807 115.5836 53.6540 44.7485 174.0620 27 I 4.3246 8.0766 122.9376 59.7572 38.0519 175.5644 28 L 4.5390 7.9576 125.8621 55.7359 43.8377 175.9951 29 A 4.8797 6.8816 118.2653 51.3387 22.6715 174.5410 30 D 5.5907 8.9407 117.7455 52.4667 42.9543 174.5546 31 R 4.6102 8.7825 114.8696 55.2800 33.4631 173.4946 32 V 4.6598 8.0437 119.9494 61.4777 32.9395 175.7782 33 N 4.6926 8.4834 126.6172 51.8981 39.4934 175.4103 34 K 3.9954 8.5094 115.8038 60.0846 32.9326 177.2182 35 N 4.5547 8.3083 114.6936 52.9213 38.6840 175.4583 36 G 3.8759 7.9773 106.2501 45.8834 0.0000 173.1857 37 I 4.4577 7.9471 120.8130 59.1813 39.3447 175.1553 38 N 4.9180 8.8540 124.3591 53.5901 39.7142 173.7793 39 E 5.3979 9.2829 122.6762 54.7712 33.6722 174.5224 40 Y 5.0570 9.1955 120.0135 56.3142 42.0638 174.1312 41 Y 4.1155 8.3614 125.5883 56.5562 40.0466 173.9429 42 I 3.9138 7.8349 128.9105 59.2658 39.3021 174.9221 43 K 3.8878 7.6404 128.9249 54.9504 33.3418 175.3795 44 W 4.8866 8.2125 128.0325 55.1872 30.5198 175.9653 45 A 4.0970 8.3461 127.8713 54.2930 18.1027 177.5905 46 G 3.9016 9.1990 110.3738 45.6099 0.0000 172.5395 47 Y 4.6119 7.8435 115.9872 55.6405 41.4884 175.2030 48 D 4.8439 8.4986 122.0723 52.1817 41.0249 177.3438 49 W 4.4371 8.6493 118.1694 58.7074 29.0078 177.6829 50 Y 4.4943 7.4780 113.6691 59.4880 37.5232 175.8061 51 D 4.7572 8.2615 119.0383 54.2057 41.6671 176.5271 52 N 4.7996 7.7716 116.8995 53.2281 39.7047 174.1649 53 T 4.9828 7.7581 110.7039 59.8186 72.9618 172.5443 54 W 5.0506 9.0816 123.2955 56.4448 30.1970 175.5485 55 E 5.0699 9.4613 124.7619 53.5415 32.7185 174.3316 56 P 4.8924 0.0000 0.0000 62.4372 32.5062 176.6349 57 E 4.1210 9.1401 121.0297 59.9802 29.2689 179.4475 58 Q 4.1705 8.2757 116.8717 59.4474 28.3553 177.8721 59 N 4.8187 8.2608 116.3411 54.6435 38.6712 175.7766 60 L 4.3772 7.6388 121.2016 54.3413 42.1547 178.1626 61 F 4.1314 7.5830 117.9355 59.7287 37.5819 176.3016 62 G 3.8678 6.9190 106.6670 45.3840 0.0000 173.1450 63 A 4.6731 7.7508 123.8573 50.8715 19.8801 178.4277 64 E 3.8522 8.5186 122.6049 60.6133 29.8529 177.4899 65 K 3.9137 7.9341 119.1867 59.5669 32.3232 179.0271 66 V 3.6781 7.6367 118.9641 64.4761 31.4702 177.9405 67 L 3.8137 7.7966 121.1298 57.9605 41.9248 179.1054 68 K 4.0756 8.1079 118.4220 58.8096 31.9969 179.3812 69 K 3.8984 8.1630 120.1823 59.2386 31.9646 178.5142 70 W 4.2348 8.2913 127.5998 60.7074 30.6671 177.7872 71 K 4.0784 8.1601 117.1418 59.2582 31.5327 179.2089 72 K 4.1257 7.8514 118.0856 58.9438 32.1323 177.8430 73 R 4.1346 7.6497 122.1080 56.4350 30.1000 176.3146 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 19 A 8.26 4.25 1.20 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 0.00 0.00 0.00 20 D 8.06 4.47 0.00 2.77 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 21 V 8.05 4.31 2.04 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 0.86 0.00 0.00 1.15 0.00 0.00 22 Y 8.13 4.78 0.00 2.43 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 4.26 0.00 2.16 1.97 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 2.42 2.35 0.00 24 V 8.34 3.86 1.91 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 0.45 0.00 0.00 0.55 0.00 0.00 25 E 8.93 4.08 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 2.20 2.19 0.00 26 D 7.18 4.32 0.00 2.55 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 0.00 0.00 0.00 0.00 27 I 8.08 4.32 1.38 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.37 -0.38 0.00 0.00 28 L 7.96 4.54 0.00 1.42 1.74 1.05 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 A 6.88 4.88 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 30 D 8.94 5.59 0.00 2.39 2.68 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 0.00 0.00 0.00 0.00 31 R 8.78 4.61 0.00 1.60 1.70 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.23 0.00 32 V 8.04 4.66 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 0.78 0.00 0.00 0.96 0.00 0.00 33 N 8.48 4.69 0.00 2.94 3.06 0.00 0.00 6.38 6.08 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 34 K 8.51 4.00 0.00 1.86 1.95 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.44 7.81 35 N 8.31 4.55 0.00 2.85 2.89 0.00 0.00 6.97 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 36 G 7.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.95 4.46 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.15 0.97 0.00 0.00 38 N 8.85 4.92 0.00 2.92 2.50 0.00 0.00 7.02 8.04 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 39 E 9.28 5.40 0.00 1.83 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 2.40 2.27 0.00 40 Y 9.20 5.06 0.00 2.68 2.53 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 41 Y 8.36 4.12 0.00 1.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.91 0.59 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.51 -0.97 0.00 0.00 43 K 7.64 3.89 0.00 0.91 1.10 0.00 0.73 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.83 1.03 7.81 44 W 8.21 4.89 0.00 3.13 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 45 A 8.35 4.10 1.32 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 0.00 0.00 0.00 46 G 9.20 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 0.00 0.00 0.00 47 Y 7.84 4.61 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.84 0.00 3.16 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 49 W 8.65 4.44 0.00 3.01 3.12 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 0.00 50 Y 7.48 4.49 0.00 3.25 3.10 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 0.00 0.00 0.00 0.00 51 D 8.26 4.76 0.00 2.85 2.65 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 0.00 52 N 7.77 4.80 0.00 2.57 1.42 0.00 0.00 5.30 5.84 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 53 T 7.76 4.98 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 54 W 9.08 5.05 0.00 3.29 3.27 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 55 E 9.46 5.07 0.00 1.90 1.94 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 2.35 2.64 0.00 56 P 0.00 4.89 0.00 2.32 2.27 0.00 3.86 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 2.19 2.05 0.00 57 E 9.14 4.12 0.00 2.40 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 0.00 2.41 2.41 0.00 58 Q 8.28 4.17 0.00 2.42 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 59 N 8.26 4.82 0.00 2.99 3.03 0.00 0.00 7.11 8.10 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 60 L 7.64 4.38 0.00 1.83 1.47 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.58 4.13 0.00 3.08 3.25 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 62 G 6.92 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.75 4.67 1.06 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 0.00 0.00 0.00 0.00 0.00 64 E 8.52 3.85 0.00 2.04 1.96 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 2.38 2.38 0.00 65 K 7.93 3.91 0.00 1.85 1.76 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.49 7.81 66 V 7.64 3.68 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 0.81 0.00 0.00 0.82 0.00 0.00 67 L 7.80 3.81 0.00 1.66 1.80 0.33 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.11 4.08 0.00 1.87 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.58 7.81 69 K 8.16 3.90 0.00 1.92 2.01 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 70 W 8.29 4.23 0.00 3.43 3.31 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 71 K 8.16 4.08 0.00 1.82 1.89 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.25 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.81 7.81 72 K 7.85 4.13 0.00 1.72 1.83 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.60 7.81 73 R 7.65 4.13 0.00 1.54 1.71 0.00 3.23 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00