NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3701 8.3049 118.1960 54.2226 32.5221 174.5621 2 K 3.5861 8.5675 118.5697 56.7382 31.9245 176.0229 3 R 4.4178 8.4629 123.7129 54.9662 32.4723 176.4001 4 T 3.9610 8.4474 113.1494 64.5681 67.4734 174.0721 5 W 4.8528 8.0950 130.9992 56.5818 31.4073 176.0432 6 Q 4.0474 7.2875 123.9078 52.3699 29.2597 171.9186 7 P 3.3290 0.0000 0.0000 62.9911 32.2392 176.6659 8 N 4.3705 8.1711 117.5680 52.5383 40.9399 174.6530 9 R 3.9020 8.7672 127.8757 59.3094 30.0912 178.2993 10 R 3.8650 7.9840 117.4756 60.2546 30.1277 178.0921 11 K 3.8297 8.1404 118.4385 59.5597 32.1258 178.0768 12 R 4.0905 8.8327 118.8156 59.7203 30.0399 178.7382 13 A 4.0526 8.4222 120.6887 54.9070 18.3488 178.8620 14 K 4.2708 8.0364 114.8786 57.6400 32.3847 177.1784 15 T 4.4805 7.5955 105.1338 62.5098 70.5313 174.3115 16 H 4.8705 8.2203 115.9076 54.9779 30.3015 174.2368 17 G 3.8809 8.1191 109.7645 44.9612 0.0000 174.6380 18 F 3.8982 9.1109 122.0582 61.4892 39.4075 177.3248 19 R 4.0319 8.4308 116.6056 59.6423 28.5716 178.4099 20 A 4.0217 8.1226 119.4908 55.4464 18.3306 179.7443 21 R 3.7844 8.4834 116.4838 59.8423 30.0102 179.3293 22 M 3.9708 7.8754 117.0328 57.8906 31.8563 178.5822 23 R 3.9578 7.5565 118.2222 58.5911 31.0080 176.4993 24 T 4.3431 6.8932 113.6799 60.1397 68.6220 173.2714 25 P 4.3457 0.0000 0.0000 66.2916 31.1678 178.9335 26 G 3.6808 8.1345 105.1098 47.3431 0.0000 175.7008 27 G 4.0704 7.9102 109.4641 47.0888 0.0000 176.0249 28 R 3.8415 8.4090 120.8657 58.8582 30.1105 178.9422 29 K 3.8062 8.1906 118.5975 59.6705 32.0153 178.9611 30 V 3.5620 7.4738 117.6187 66.5555 31.3251 177.3886 31 L 3.8423 7.5756 117.5830 58.1296 41.4548 179.2293 32 K 3.7972 7.9899 118.6155 60.1105 32.3349 179.0297 33 R 3.9518 8.0674 117.8301 59.3631 29.9215 179.4113 34 R 3.9538 8.3075 118.1158 59.2636 30.1284 178.9440 35 R 3.9074 8.5984 118.1524 59.3956 29.8993 178.4167 36 Q 4.0428 8.4341 118.3176 59.4001 29.0736 178.3900 37 K 4.0272 7.5638 118.5733 59.2443 33.6240 177.2514 38 G 4.0966 8.5519 105.2303 46.4633 0.0000 172.5161 39 R 4.4795 7.4154 117.7279 55.7034 31.7566 177.1987 40 W 4.6438 8.6990 117.5390 57.5991 29.7128 177.3047 41 R 4.5470 7.7367 116.2062 54.2637 31.5564 174.5467 42 L 4.1823 8.8943 123.2568 57.3422 41.8983 177.9664 43 T 4.6694 7.6374 110.5009 59.0064 69.7926 171.5406 44 P 4.2708 0.0000 0.0000 63.0759 32.0203 175.5832 45 A 4.4962 8.2828 123.3367 51.2120 20.0753 177.8363 46 V 4.2841 7.9249 119.6126 61.2952 32.9807 176.0750 47 R 4.3003 8.3768 128.7557 53.0258 28.2129 177.0511 48 K 3.9751 7.7090 121.7608 57.1779 32.4327 174.0518 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 8.30 4.37 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 K 8.57 3.59 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.52 7.81 3 R 8.46 4.42 0.00 1.85 1.94 0.00 3.40 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 4 T 8.45 3.96 4.30 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 0.00 0.00 1.30 0.00 0.00 5 W 8.10 4.85 0.00 3.31 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 6 Q 7.29 4.05 0.00 1.76 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.58 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 7 P 0.00 3.33 0.00 1.92 2.05 0.00 3.39 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 8 N 8.17 4.37 0.00 2.59 2.51 0.00 0.00 7.17 7.65 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 9 R 8.77 3.90 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.28 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 10 R 7.98 3.87 0.00 1.87 1.96 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 11 K 8.14 3.83 0.00 2.01 1.97 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.57 7.81 12 R 8.83 4.09 0.00 2.11 2.11 0.00 3.47 0.00 0.00 3.50 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 13 A 8.42 4.05 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 14 K 8.04 4.27 0.00 1.94 1.83 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 15 T 7.60 4.48 4.10 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 1.19 0.00 0.00 16 H 8.22 4.87 0.00 3.38 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.12 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 18 F 9.11 3.90 0.00 3.22 3.08 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 0.00 0.00 0.00 19 R 8.43 4.03 0.00 1.95 2.04 0.00 3.42 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 20 A 8.12 4.02 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 21 R 8.48 3.78 0.00 1.81 1.81 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 22 M 7.88 3.97 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.96 0.00 23 R 7.56 3.96 0.00 1.84 2.12 0.00 3.24 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 24 T 6.89 4.34 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 1.27 0.00 0.00 25 P 0.00 4.35 0.00 2.29 2.30 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 26 G 8.13 3.68 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 0.00 0.00 0.00 27 G 7.91 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.41 3.84 0.00 1.95 1.95 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 29 K 8.19 3.81 0.00 1.94 1.87 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 30 V 7.47 3.56 2.27 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 1.10 0.00 0.00 0.98 0.00 0.00 31 L 7.58 3.84 0.00 1.85 1.66 0.75 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.99 3.80 0.00 1.76 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 33 R 8.07 3.95 0.00 2.08 1.98 0.00 3.17 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 34 R 8.31 3.95 0.00 1.99 2.00 0.00 3.33 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 35 R 8.60 3.91 0.00 1.97 2.01 0.00 3.18 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 36 Q 8.43 4.04 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 37 K 7.56 4.03 0.00 1.84 2.09 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.49 7.81 38 G 8.55 4.10 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 0.00 0.00 0.00 39 R 7.42 4.48 0.00 1.90 1.98 0.00 3.36 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 40 W 8.70 4.64 0.00 3.21 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 41 R 7.74 4.55 0.00 1.80 1.90 0.00 3.29 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 42 L 8.89 4.18 0.00 1.80 1.84 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.64 4.67 4.38 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 1.39 0.00 0.00 44 P 0.00 4.27 0.00 2.12 2.02 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 A 8.28 4.50 1.27 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 0.00 0.00 46 V 7.92 4.28 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 0.91 0.00 0.00 1.00 0.00 0.00 47 R 8.38 4.30 0.00 1.87 1.90 0.00 3.37 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 48 K 7.71 3.98 0.00 1.71 1.65 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.23 7.81