NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.6579 8.1633 120.2906 56.3639 32.6311 174.7104 2 W 3.4979 7.9514 120.9468 56.9080 27.5249 173.4490 3 R 3.9475 9.6471 115.5713 57.0981 28.7354 176.0237 4 I 3.6705 8.5669 114.4918 65.5543 35.2048 174.5037 5 W 3.8352 9.4059 112.0212 60.0212 27.3868 175.2246 6 Q 3.2536 7.9536 115.9342 57.1360 27.1840 175.4609 7 L 4.3148 7.9713 118.4267 55.9935 42.4633 178.3683 8 F 4.6903 7.4774 120.6329 55.1657 40.3933 172.4591 9 D 4.7223 8.1082 125.9867 53.7086 47.3800 176.2918 10 P 4.2420 0.0000 0.0000 65.6100 31.2640 178.6495 11 R 3.8847 7.8814 114.0254 59.6736 29.3421 178.3537 12 Q 3.9491 8.1547 120.0401 58.4470 29.0167 178.0210 13 A 4.0074 8.3787 122.2589 55.2650 18.5052 179.6885 14 L 3.9854 8.0330 117.5335 57.8807 41.6497 179.9347 15 V 3.7984 8.2147 118.5025 65.3885 31.3323 178.5531 16 G 3.5853 8.1068 105.8645 47.7205 0.0000 175.7294 17 L 3.9835 7.9716 121.7769 57.3087 41.7271 179.2359 18 A 4.0447 8.0580 120.4641 55.9059 18.3045 179.9273 19 T 3.9876 8.0287 114.0487 66.4731 68.4886 176.8125 20 F 4.0301 8.7859 123.3878 61.1342 39.5052 177.1913 21 L 4.1049 8.4927 119.5633 58.9203 40.3544 178.6689 22 F 4.1949 8.4039 122.1746 60.9875 39.2565 177.5466 23 V 3.4597 8.2390 112.1160 64.5941 31.3912 177.7306 24 L 3.6943 7.7855 119.5516 58.5931 41.7759 178.8280 25 A 3.9729 8.2966 120.2491 54.9933 18.2930 179.7142 26 L 3.7648 7.5929 117.5475 58.0329 41.6516 179.6910 27 L 4.1399 8.2231 119.2753 57.9765 41.4177 179.4029 28 I 3.6891 7.8083 119.8334 64.7777 37.0803 178.1051 29 H 4.2223 8.4638 116.7696 58.8877 28.5731 177.8403 30 F 4.3624 8.6704 122.8950 61.2765 39.2342 177.1237 31 I 3.3881 8.1592 118.9031 63.7553 37.8244 177.8380 32 L 3.9407 8.0651 121.1205 58.7223 40.2675 179.1392 33 L 3.9467 8.2300 121.6723 58.3586 40.3203 179.1153 34 S 3.9707 8.1093 114.5988 61.3755 62.3445 176.2735 35 T 3.9595 8.1694 118.7769 66.4777 68.2560 176.2790 36 E 3.9352 8.6485 121.6610 59.4626 29.8069 178.9094 37 R 4.2310 8.4898 119.1316 59.7575 30.1405 177.6973 38 F 4.1853 8.9240 121.1832 61.2956 39.4062 176.4517 39 N 4.3790 8.9850 116.9681 56.6096 38.5977 176.0683 40 W 4.3955 7.9766 129.7977 60.1228 30.8607 177.1705 41 L 3.4929 8.2397 123.2365 57.0362 41.7495 178.9147 42 E 3.8728 7.9246 119.4884 58.2543 29.6842 175.5785 43 G 3.6713 8.9557 110.9156 46.5987 0.0000 173.3578 44 A 4.4060 8.1602 123.2351 51.4599 20.3795 175.2910 45 S 4.2094 9.5975 113.5638 58.1720 60.9628 169.3669 46 T 4.7640 7.7012 106.3485 62.7736 73.5830 175.0917 47 K 4.0981 7.9749 121.5102 57.9721 32.6228 177.1913 48 P 4.5259 0.0000 0.0000 62.0024 29.4447 174.2301 49 V 4.0664 7.6958 117.5091 61.7723 33.6334 177.4861 50 Q 2.9531 9.0636 121.6193 56.6191 30.0585 174.6862 51 T 4.4356 8.1553 101.4806 60.2234 72.2674 174.2811 52 S 4.0998 8.4775 119.8834 58.5609 62.4560 173.2366 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 8.16 3.66 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 2 W 7.95 3.50 0.00 3.52 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 3 R 9.65 3.95 0.00 1.98 1.98 0.00 3.27 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 4 I 8.57 3.67 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.22 1.14 0.00 0.00 5 W 9.41 3.84 0.00 3.33 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 7.95 3.25 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.49 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 7 L 7.97 4.31 0.00 1.82 1.89 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.48 4.69 0.00 2.96 2.96 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 9 D 8.11 4.72 0.00 2.82 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 10 P 0.00 4.24 0.00 2.14 2.10 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 11 R 7.88 3.88 0.00 1.99 2.13 0.00 2.78 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 12 Q 8.15 3.95 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.02 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 13 A 8.38 4.01 1.43 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 0.00 0.00 0.00 14 L 8.03 3.99 0.00 1.82 1.72 0.91 0.62 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 15 V 8.21 3.80 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.97 0.00 0.00 16 G 8.11 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.97 3.98 0.00 1.74 1.73 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.06 4.04 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 19 T 8.03 3.99 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 1.29 0.00 0.00 20 F 8.79 4.03 0.00 3.25 3.24 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 0.00 21 L 8.49 4.10 0.00 2.08 2.10 1.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.40 4.19 0.00 3.32 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 23 V 8.24 3.46 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 0.71 0.00 0.00 0.83 0.00 0.00 24 L 7.79 3.69 0.00 1.58 1.60 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.30 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 3.76 0.00 1.65 1.49 0.14 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.22 4.14 0.00 1.62 1.73 0.86 0.71 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 28 I 7.81 3.69 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.84 0.00 0.00 29 H 8.46 4.22 0.00 3.35 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.67 4.36 0.00 3.08 3.21 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 0.00 31 I 8.16 3.39 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.97 0.95 0.00 0.00 32 L 8.07 3.94 0.00 1.94 1.89 1.00 0.59 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 33 L 8.23 3.95 0.00 1.91 2.14 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.11 3.97 0.00 3.25 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 35 T 8.17 3.96 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 1.24 0.00 0.00 36 E 8.65 3.94 0.00 2.08 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 0.00 2.22 2.26 0.00 37 R 8.49 4.23 0.00 2.16 2.06 0.00 3.76 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 38 F 8.92 4.19 0.00 3.23 3.17 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 39 N 8.99 4.38 0.00 3.10 2.90 0.00 0.00 7.12 7.59 0.00 0.00 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 W 7.98 4.40 0.00 3.47 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 41 L 8.24 3.49 0.00 1.30 1.50 0.59 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.92 3.87 0.00 1.37 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 2.10 2.19 0.00 43 G 8.96 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.16 4.41 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 45 S 9.60 4.21 0.00 4.02 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 46 T 7.70 4.76 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 1.31 0.00 0.00 47 K 7.97 4.10 0.00 1.68 1.79 0.00 1.27 0.00 0.00 1.48 0.00 0.00 2.63 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.24 7.81 48 P 0.00 4.53 0.00 2.15 2.04 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 49 V 7.70 4.07 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 0.93 0.00 0.00 0.99 0.00 0.00 50 Q 9.06 2.95 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 51 T 8.16 4.44 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 1.20 0.00 0.00 52 S 8.48 4.10 0.00 3.78 3.67 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 0.00 0.00 0.00 0.00