NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5125 8.2893 120.3471 55.2890 32.5342 175.4611 2 T 4.0619 8.2560 118.3584 60.7272 70.9315 174.5448 3 K 3.9468 9.2030 126.3956 60.1590 32.1668 178.9717 4 Q 4.2081 8.0133 119.2459 58.5965 28.6430 178.5735 5 E 3.9161 7.8260 118.7579 59.2910 29.5217 179.2347 6 K 3.8260 7.8967 119.3926 59.8685 32.2649 178.6897 7 T 3.7615 7.8792 115.6137 66.7171 68.3265 176.2595 8 A 3.9762 8.0409 122.4729 54.9959 18.2783 179.4108 9 L 3.7648 7.8411 118.6409 58.3309 42.2128 178.5566 10 N 3.6227 8.1787 116.7685 56.6144 38.5077 177.2171 11 M 3.9058 8.1892 119.6010 58.2315 32.0569 178.7231 12 A 3.9338 8.0353 120.9495 55.1728 18.5958 179.4082 13 R 3.8528 7.9626 117.3244 59.8797 30.0687 178.7238 14 F 4.5976 8.1702 117.4076 60.7352 38.8956 177.8510 15 I 3.8074 7.9972 119.5723 64.1736 36.8859 178.2818 16 R 3.8950 8.4580 120.0806 59.6537 29.7751 178.5823 17 S 4.1289 8.2986 112.7506 61.5743 62.4008 176.1238 18 Q 4.0454 8.8257 121.3064 58.9978 28.3500 178.8323 19 T 3.9225 8.1923 111.0488 64.5825 68.7497 176.7737 20 L 4.0009 7.5954 121.4716 57.8283 41.5091 179.5135 21 T 3.8475 7.7068 115.9023 66.5171 68.4190 176.4171 22 L 3.9368 8.0999 122.3260 58.0432 42.0938 178.9851 23 L 3.9276 8.0681 118.8743 57.9182 41.5245 178.8733 24 E 3.9323 8.2800 119.1720 59.6120 29.6002 179.1763 25 K 4.0332 8.3556 118.3704 59.1083 32.0187 179.4535 26 L 4.0171 7.8887 119.7300 57.7346 41.6445 178.7795 27 N 4.2912 8.2447 116.4652 56.7472 38.5476 177.2592 28 E 4.0197 8.0126 119.7735 59.3578 29.4627 179.4000 29 L 4.0275 7.8435 118.4606 57.5725 41.5294 179.4339 30 A 3.9918 8.1789 120.9638 55.1145 18.4345 179.3826 31 D 4.3039 7.9777 116.9712 57.6763 40.8346 179.1667 32 I 3.7741 7.7404 120.1540 64.4873 37.0030 178.3209 33 C 4.1530 8.4338 117.9839 62.8640 27.9251 176.0369 34 E 4.0058 8.5251 120.5306 59.4422 29.0132 179.3516 35 S 4.1590 8.0584 112.8682 61.2325 62.3680 176.1786 36 L 3.9874 8.2164 121.9745 57.9730 41.3143 178.8333 37 H 4.1058 8.5794 118.4536 59.5482 29.8172 176.9044 38 D 4.3165 8.2723 120.5589 57.7312 40.6214 178.6715 39 H 4.0532 8.5131 116.4295 58.7898 28.6715 177.5799 40 A 4.0575 8.3898 123.0129 55.2780 18.1289 179.2423 41 D 4.2708 8.3946 116.7730 57.6028 41.2910 178.3613 42 E 3.9706 8.1768 119.1824 59.0639 29.3772 178.9264 43 L 3.9320 8.3894 120.9240 58.3703 42.1364 178.4999 44 Y 4.0906 8.2125 119.2930 60.9928 38.8230 178.2755 45 R 3.7990 8.1960 118.9003 59.0858 30.1730 179.3086 46 S 4.1040 8.2438 115.3015 61.7664 62.8154 176.5022 47 C 4.1299 8.0807 119.5114 62.4495 27.5959 175.8143 48 L 3.7624 7.7331 121.2047 58.2099 41.7516 178.5681 49 A 4.1115 7.6580 119.1516 55.5701 18.2664 178.9981 50 R 3.9205 7.6817 116.5495 59.3831 30.2688 176.7506 51 F 4.4633 8.4562 125.1664 58.5320 39.5698 175.0214 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 1 M 8.29 4.51 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 2 T 8.26 4.06 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 1.26 0.00 0.00 3 K 9.20 3.95 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.10 7.81 4 Q 8.01 4.21 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 5 E 7.83 3.92 0.00 2.16 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 2.31 2.31 0.00 6 K 7.90 3.83 0.00 1.82 1.93 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 7 T 7.88 3.76 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 1.18 0.00 0.00 8 A 8.04 3.98 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 9 L 7.84 3.76 0.00 1.96 1.60 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.18 3.62 0.00 2.62 2.19 0.00 0.00 7.14 7.24 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 11 M 8.19 3.91 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 12 A 8.04 3.93 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 13 R 7.96 3.85 0.00 1.97 1.82 0.00 3.14 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 1.67 1.68 0.00 14 F 8.17 4.60 0.00 3.21 2.99 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 15 I 8.00 3.81 2.07 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 1.45 0.86 0.93 0.00 0.00 16 R 8.46 3.90 0.00 2.04 1.96 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 17 S 8.30 4.13 0.00 3.99 4.09 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 0.00 0.00 0.00 0.00 18 Q 8.83 4.05 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 19 T 8.19 3.92 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 1.29 0.00 0.00 20 L 7.60 4.00 0.00 2.04 1.76 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.71 3.85 4.43 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 0.00 0.00 0.00 1.20 0.00 0.00 22 L 8.10 3.94 0.00 1.93 1.83 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.07 3.93 0.00 1.99 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.28 3.93 0.00 2.07 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 2.31 2.41 0.00 25 K 8.36 4.03 0.00 2.14 1.84 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.52 7.81 26 L 7.89 4.02 0.00 2.05 1.71 0.92 0.66 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 N 8.24 4.29 0.00 2.94 2.89 0.00 0.00 7.06 7.13 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 28 E 8.01 4.02 0.00 2.10 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 2.51 0.00 29 L 7.84 4.03 0.00 1.88 1.71 0.92 0.70 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 30 A 8.18 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.98 4.30 0.00 2.94 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 32 I 7.74 3.77 1.99 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 1.52 0.69 0.91 0.00 0.00 33 C 8.43 4.15 0.00 3.10 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 34 E 8.53 4.01 0.00 2.01 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 2.51 0.00 35 S 8.06 4.16 0.00 3.96 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 36 L 8.22 3.99 0.00 1.95 1.72 0.92 1.12 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 37 H 8.58 4.11 0.00 3.16 3.48 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 38 D 8.27 4.32 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 4.05 0.00 3.43 3.37 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.39 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.27 0.00 2.69 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 42 E 8.18 3.97 0.00 2.18 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 2.39 2.40 0.00 43 L 8.39 3.93 0.00 1.81 1.86 0.94 0.81 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 44 Y 8.21 4.09 0.00 3.06 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 45 R 8.20 3.80 0.00 1.89 1.92 0.00 3.23 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 46 S 8.24 4.10 0.00 4.03 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 47 C 8.08 4.13 0.00 3.01 2.88 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 48 L 7.73 3.76 0.00 1.21 1.61 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.66 4.11 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 50 R 7.68 3.92 0.00 1.85 2.14 0.00 3.33 0.00 0.00 3.17 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 51 F 8.46 4.46 0.00 3.12 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