NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6387 8.3049 118.1949 54.3886 34.3900 174.1331 2 K 4.1983 7.8687 126.5220 56.8509 39.6070 176.3188 3 A 4.4898 9.8422 135.0000 53.7132 21.0211 179.9055 4 K 3.9734 8.1695 114.5265 59.1987 32.5437 177.5375 5 E 4.4379 7.2482 119.1421 53.5137 27.8165 175.0680 6 L 4.1823 8.6030 116.3333 54.8930 46.8679 175.5538 7 R 3.7898 8.8358 124.8781 57.7927 28.1811 176.2062 8 E 4.4730 7.4916 110.7714 55.1031 29.7099 174.9282 9 K 3.5835 7.9756 122.8298 56.8740 31.2047 174.9103 10 S 4.1590 8.4395 120.8636 61.2643 62.0326 175.6841 11 V 3.6749 7.8381 119.5723 65.5075 31.2661 177.5024 12 E 4.1110 8.6969 118.8385 59.6125 29.6590 178.5055 13 E 4.4610 7.7822 119.3666 58.8203 29.3331 179.7977 14 L 3.9936 7.8592 118.2702 57.8057 41.8961 178.0532 15 N 4.6377 8.2432 113.3285 53.9715 38.6145 176.3880 16 T 4.1725 7.5097 116.4132 66.3693 69.2442 176.9783 17 E 4.5115 7.9014 121.5708 58.0730 29.3495 178.7920 18 L 4.1114 7.4065 119.5167 56.8990 42.1261 177.6368 19 L 4.6929 7.9092 116.4455 54.5298 42.6491 177.0625 20 N 4.5146 8.0566 118.1127 56.1515 38.9034 176.8425 21 L 4.5441 7.7186 114.5449 54.9118 42.7787 179.6432 22 L 4.4055 7.5014 121.9804 54.4148 41.9650 178.4784 23 R 3.7131 8.7294 112.4550 59.2066 30.2286 177.8853 24 E 4.3184 8.1344 115.0643 57.5223 29.9500 176.8326 25 Q 4.4620 7.8717 117.5978 55.2958 31.3349 176.7362 26 F 4.1409 9.1821 119.9607 61.3125 39.8651 176.9652 27 N 4.4419 8.4095 115.8816 55.7455 37.8673 177.3119 28 L 4.0124 7.8665 121.7387 57.9513 42.0122 178.1099 29 R 4.3635 7.6012 115.0605 56.4976 29.8973 176.3806 30 M 4.4355 7.4654 116.9545 55.2189 32.7228 176.0807 31 Q 4.4622 7.6081 115.9407 56.0418 30.9663 177.2119 32 A 4.1121 8.1340 119.0459 53.7360 18.7916 176.6932 33 A 4.5256 7.8146 116.1447 53.8865 20.8311 178.7304 34 S 4.1335 8.1737 107.3469 58.8797 63.0029 174.9441 35 G 4.0181 7.8061 108.1804 46.3823 0.0000 172.6840 36 Q 4.3709 7.1353 117.4593 55.0394 32.8521 173.7744 37 L 3.4912 8.4785 122.6540 55.0046 38.4723 175.4691 38 Q 3.9388 8.4030 121.8176 57.6026 29.3400 176.6838 39 Q 4.0192 7.4197 117.8410 56.2403 27.7287 177.2149 40 S 4.1944 8.4403 120.5586 61.2817 63.3911 175.6564 41 H 4.4265 8.0245 114.2108 56.6587 28.6731 176.9850 42 L 3.8274 7.4709 121.9922 58.4207 42.0095 177.9570 43 L 4.0654 7.9162 116.9891 58.0500 41.4145 178.7923 44 K 3.9625 8.1693 118.3766 59.2347 32.2509 176.7847 45 Q 4.2824 8.2379 117.1047 56.5252 29.3014 178.0716 46 V 3.5241 8.3405 116.0778 63.3337 31.8846 171.6686 47 R 4.1719 7.5245 117.9468 56.7922 30.9670 178.7039 48 R 4.0205 5.8400 115.8637 59.2247 31.2478 178.4939 49 D 4.3733 8.3329 117.6588 57.5183 40.7969 178.9994 50 V 3.5554 8.8853 119.5187 65.6619 31.4927 177.6975 51 A 4.1140 7.9551 120.2841 54.3657 18.1945 179.4861 52 R 4.0215 8.4481 117.1802 58.7263 30.5061 178.8653 53 V 3.6868 7.7808 115.8826 65.2745 31.5854 177.0351 54 K 4.2948 7.9242 117.4927 59.5921 32.7318 178.0958 55 T 3.6669 8.3521 114.1398 67.9981 67.9403 175.9352 56 L 4.1488 8.3208 120.6484 58.0764 41.4988 179.5942 57 L 4.0947 7.9179 119.8814 57.6134 42.0264 178.7113 58 N 4.4593 8.5660 117.5563 55.8645 38.4277 176.6482 59 E 4.2304 7.6325 115.9694 57.8412 29.5253 177.2397 60 K 4.1830 7.3422 119.6644 56.7222 32.0131 175.9958 61 A 4.2436 7.7315 121.3052 52.1083 18.8811 177.0850 62 G 4.3460 9.9171 113.9974 45.5246 0.0000 172.9085 63 A 4.1893 7.4138 125.3980 52.1017 19.3076 175.4834 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 4.64 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 K 7.87 4.20 0.00 1.81 1.04 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 A 9.84 4.49 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 4 K 8.17 3.97 0.00 1.74 1.91 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.54 7.81 5 E 7.25 4.44 0.00 2.05 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 0.00 2.35 2.42 0.00 6 L 8.60 4.18 0.00 1.73 1.53 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.84 3.79 0.00 1.94 2.01 0.00 3.18 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 8 E 7.49 4.47 0.00 2.05 1.90 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 2.16 2.20 0.00 9 K 7.98 3.58 0.00 1.99 2.03 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.53 7.81 10 S 8.44 4.16 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.67 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 0.93 0.00 0.00 12 E 8.70 4.11 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 2.32 2.46 0.00 13 E 7.78 4.46 0.00 2.18 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 0.00 2.34 2.39 0.00 14 L 7.86 3.99 0.00 1.70 1.71 0.92 0.73 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 15 N 8.24 4.64 0.00 2.78 2.84 0.00 0.00 7.08 7.43 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 16 T 7.51 4.17 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 1.21 0.00 0.00 17 E 7.90 4.51 0.00 2.01 2.00 0.00 0.00 0.00 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 2.23 0.00 18 L 7.41 4.11 0.00 1.96 1.84 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.91 4.69 0.00 1.71 1.64 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.06 4.51 0.00 2.99 2.86 0.00 0.00 7.00 6.64 0.00 0.00 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 7.72 4.54 0.00 1.66 1.74 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.50 4.41 0.00 1.75 1.48 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.73 3.71 0.00 1.93 2.36 0.00 3.46 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 24 E 8.13 4.32 0.00 1.98 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 2.31 0.00 25 Q 7.87 4.46 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 26 F 9.18 4.14 0.00 3.15 3.13 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 0.00 0.00 0.00 0.00 27 N 8.41 4.44 0.00 3.14 2.89 0.00 0.00 6.73 6.02 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 28 L 7.87 4.01 0.00 1.71 1.71 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.60 4.36 0.00 1.90 1.81 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 30 M 7.47 4.44 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 31 Q 7.61 4.46 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 32 A 8.13 4.11 1.24 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 0.00 0.00 33 A 7.81 4.53 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 34 S 8.17 4.13 0.00 3.85 3.91 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 35 G 7.81 4.02 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 0.00 0.00 0.00 36 Q 7.14 4.37 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.33 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 37 L 8.48 3.49 0.00 2.10 1.67 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.40 3.94 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.17 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 39 Q 7.42 4.02 0.00 2.25 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 40 S 8.44 4.19 0.00 3.86 3.92 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 0.00 0.00 0.00 41 H 8.02 4.43 0.00 3.37 3.56 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.47 3.83 0.00 1.81 1.66 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.92 4.07 0.00 1.64 1.74 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.17 3.96 0.00 1.87 2.03 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.64 7.81 45 Q 8.24 4.28 0.00 2.42 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 5.56 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 46 V 8.34 3.52 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 0.87 0.00 0.00 1.06 0.00 0.00 47 R 7.52 4.17 0.00 1.92 1.76 0.00 3.18 0.00 0.00 3.17 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 48 R 5.84 4.02 0.00 1.75 1.94 0.00 3.19 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 49 D 8.33 4.37 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 50 V 8.89 3.56 2.16 0.00 0.00 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 0.00 0.00 1.01 0.00 0.00 51 A 7.96 4.11 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 52 R 8.45 4.02 0.00 2.00 1.97 0.00 3.32 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 1.61 1.78 0.00 53 V 7.78 3.69 2.52 0.00 0.00 0.00 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 54 K 7.92 4.29 0.00 2.02 1.81 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.75 7.81 55 T 8.35 3.67 4.26 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 1.21 0.00 0.00 56 L 8.32 4.15 0.00 1.80 1.73 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.92 4.09 0.00 1.79 1.79 0.92 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 58 N 8.57 4.46 0.00 3.03 2.84 0.00 0.00 6.57 7.66 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 59 E 7.63 4.23 0.00 2.16 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 2.55 2.32 0.00 60 K 7.34 4.18 0.00 1.72 2.10 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.38 7.81 61 A 7.73 4.24 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 62 G 9.92 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 0.00 0.00 0.00 0.00 63 A 7.41 4.19 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00