NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4307 8.1633 120.3493 55.5662 34.5083 177.2098 2 K 4.6246 8.3255 117.3582 58.5443 31.6913 176.6903 3 L 3.4831 8.3194 117.3628 58.1362 43.0819 179.2371 4 S 3.9512 8.0401 112.7237 61.5029 63.1070 176.7735 5 E 3.9101 8.1174 120.6734 59.5648 29.2326 179.2687 6 V 3.5786 7.5379 116.9975 66.2570 31.8140 177.8284 7 R 4.0250 8.6222 118.4609 59.3243 30.0911 178.4351 8 K 3.9825 7.9612 118.3510 59.3965 32.0105 178.7713 9 Q 4.6224 7.7922 112.8069 56.6741 28.4044 177.2296 10 L 4.3914 7.7986 119.1980 56.5870 43.2272 177.6427 11 E 4.1783 8.0261 115.3599 57.8151 29.9708 177.3801 12 E 4.0408 8.2327 120.1335 58.7479 30.0197 177.8615 13 A 4.3285 7.7717 118.3047 53.1161 18.0785 177.4786 14 R 4.9611 7.2772 117.4282 54.8347 28.4847 175.9086 15 K 4.6026 8.0185 117.3330 56.6264 36.0061 177.2962 16 L 4.7458 7.6177 117.5618 53.8778 43.0622 178.1589 17 S 4.3402 7.7760 109.3947 61.1058 62.3843 173.5625 18 P 4.1651 0.0000 0.0000 65.7982 31.8545 178.1203 19 V 3.5604 7.8276 116.0877 66.1988 31.4526 177.6089 20 E 3.9509 8.3597 118.3169 59.4953 29.2814 179.2528 21 L 3.9559 8.3990 119.0887 58.0886 41.6558 179.0663 22 E 4.0357 8.0430 117.9366 59.7007 29.5684 179.3730 23 K 3.8087 8.1827 117.8914 59.7024 32.1373 178.9980 24 L 3.8994 8.3638 120.3957 58.1170 41.9940 179.0173 25 V 3.5483 8.5005 118.7710 66.1471 31.5411 177.7183 26 R 4.0897 8.0472 117.8233 59.7061 29.9926 178.7030 27 E 3.9620 8.0478 117.4437 59.3714 29.5988 179.6145 28 K 3.9388 8.2673 118.7528 59.5471 31.9251 179.5509 29 K 3.9927 8.6365 118.5162 59.2087 32.1260 179.2316 30 R 3.9762 7.7614 118.5986 59.5048 29.6528 178.0082 31 E 3.9329 8.6245 118.7252 59.7219 29.4092 179.1790 32 L 4.1070 7.8859 119.0577 57.5676 42.3061 178.4814 33 M 4.0523 8.3396 119.0281 58.1678 32.0310 177.6245 34 E 3.7626 8.0309 119.2178 59.1746 29.7665 178.5796 35 L 4.0040 7.4927 118.3616 57.9563 41.9060 179.6689 36 R 3.8418 8.2913 116.0457 59.4743 29.1402 178.9221 37 F 4.0439 8.4575 117.9802 60.6555 38.7729 177.7579 38 Q 4.0910 8.2232 116.2667 58.8471 28.6845 178.3471 39 A 4.7002 8.8640 123.9184 54.3894 18.1519 179.5544 40 S 4.0247 7.6868 111.0824 61.4847 62.6386 176.0743 41 I 3.9390 7.4556 112.4336 60.7587 37.3222 177.2802 42 G 3.6689 8.9162 113.5777 46.6622 0.0000 174.6873 43 Q 4.4890 8.7922 121.7504 55.1825 27.1943 175.6963 44 L 5.5755 7.6256 129.3036 54.4634 44.9067 173.8494 45 S 4.7193 7.1342 112.6849 57.4853 66.1795 174.0431 46 Q 4.7170 8.0160 119.5005 55.9246 30.3791 176.1737 47 N 3.6815 7.4262 120.5244 55.9969 37.9523 179.4358 48 H 3.7751 8.8981 115.6104 59.3786 31.8000 177.4151 49 K 4.0923 7.7506 122.7586 58.4210 31.7218 178.7358 50 I 3.7668 7.7691 113.3774 63.8062 37.5928 178.1342 51 R 4.0069 7.7751 117.2741 58.7797 29.8181 178.1331 52 D 4.3915 8.5280 120.0435 56.9960 40.7051 178.7326 53 L 3.8960 8.0257 120.5863 58.0775 42.2827 178.7271 54 K 3.8489 8.0927 118.5960 59.9894 32.1319 179.4435 55 R 3.9520 8.4476 118.2761 59.1838 29.9290 178.5772 56 Q 3.9068 8.2290 119.4055 59.3892 28.9554 178.5124 57 I 3.5853 8.1214 120.7340 65.0582 37.0193 177.2151 58 A 4.0412 7.7825 119.8540 55.1801 18.2950 179.0311 59 R 3.9972 8.3056 112.2607 59.3070 29.3113 178.7352 60 L 3.9179 8.2316 120.0438 57.9312 42.1423 178.5457 61 L 4.0528 8.2762 118.2241 57.8077 41.5774 177.4833 62 T 4.1528 8.0091 119.6768 63.6790 68.5158 174.4006 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 4.43 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 K 8.33 4.62 0.00 1.90 1.87 0.00 2.06 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.40 7.81 3 L 8.32 3.48 0.00 1.71 1.53 0.92 0.95 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 4 S 8.04 3.95 0.00 4.16 3.86 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 5 E 8.12 3.91 0.00 2.05 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 2.40 2.43 0.00 6 V 7.54 3.58 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 0.79 0.00 0.00 0.97 0.00 0.00 7 R 8.62 4.02 0.00 1.86 1.90 0.00 3.16 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 1.62 1.67 0.00 8 K 7.96 3.98 0.00 2.00 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 9 Q 7.79 4.62 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 10 L 7.80 4.39 0.00 1.78 1.73 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.03 4.18 0.00 1.94 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 2.31 2.35 0.00 12 E 8.23 4.04 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 13 A 7.77 4.33 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 R 7.28 4.96 0.00 1.99 1.90 0.00 3.07 0.00 0.00 3.07 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 15 K 8.02 4.60 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.38 7.81 16 L 7.62 4.75 0.00 1.60 1.57 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.78 4.34 0.00 3.88 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 2.19 2.10 0.00 3.66 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 2.12 2.19 0.00 19 V 7.83 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 0.93 0.00 0.00 20 E 8.36 3.95 0.00 2.14 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 2.46 2.50 0.00 21 L 8.40 3.96 0.00 1.63 1.72 0.92 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 22 E 8.04 4.04 0.00 2.27 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 2.33 2.59 0.00 23 K 8.18 3.81 0.00 1.96 1.88 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.73 7.81 24 L 8.36 3.90 0.00 1.86 1.72 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.50 3.55 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 0.97 0.00 0.00 0.96 0.00 0.00 26 R 8.05 4.09 0.00 2.08 1.98 0.00 3.18 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 27 E 8.05 3.96 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 2.50 0.00 28 K 8.27 3.94 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.62 7.81 29 K 8.64 3.99 0.00 1.64 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.59 7.81 30 R 7.76 3.98 0.00 1.94 2.09 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 31 E 8.62 3.93 0.00 2.13 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 2.32 2.56 0.00 32 L 7.89 4.11 0.00 1.75 1.89 0.93 0.72 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 33 M 8.34 4.05 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 34 E 8.03 3.76 0.00 1.99 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 2.37 2.37 0.00 35 L 7.49 4.00 0.00 1.93 1.72 0.91 0.83 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 36 R 8.29 3.84 0.00 2.11 2.27 0.00 2.95 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 37 F 8.46 4.04 0.00 3.36 3.18 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 38 Q 8.22 4.09 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 39 A 8.86 4.70 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 40 S 7.69 4.02 0.00 3.92 4.04 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 0.00 0.00 0.00 41 I 7.46 3.94 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 0.96 0.00 0.00 42 G 8.92 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 43 Q 8.79 4.49 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.60 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 44 L 7.63 5.58 0.00 1.79 1.69 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.13 4.72 0.00 3.97 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 46 Q 8.02 4.72 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.15 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 47 N 7.43 3.68 0.00 2.97 2.48 0.00 0.00 6.86 8.16 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 48 H 8.90 3.78 0.00 3.47 3.78 0.00 5.49 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.75 4.09 0.00 1.87 1.82 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.44 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.32 7.81 50 I 7.77 3.77 1.88 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 1.71 0.65 0.92 0.00 0.00 51 R 7.78 4.01 0.00 2.07 2.23 0.00 3.00 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 1.91 1.73 0.00 52 D 8.53 4.39 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.90 0.00 2.03 1.76 0.91 0.46 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 54 K 8.09 3.85 0.00 2.05 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.71 7.81 55 R 8.45 3.95 0.00 1.93 1.98 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 56 Q 8.23 3.91 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 57 I 8.12 3.59 2.07 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 1.67 0.97 0.91 0.00 0.00 58 A 7.78 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.00 0.00 2.08 2.23 0.00 2.79 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 60 L 8.23 3.92 0.00 1.78 1.96 0.92 1.01 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 61 L 8.28 4.05 0.00 1.78 1.75 0.95 0.73 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 62 T 8.01 4.15 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