NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5186 8.3049 120.3662 55.4396 33.7370 173.2924 2 I 2.7585 8.1182 119.2502 59.5181 36.6876 168.9648 3 V 3.0996 8.5356 125.0231 61.9034 32.8903 173.7391 4 P 4.3210 0.0000 0.0000 62.1923 31.6924 176.5348 5 V 3.6622 8.3167 123.4538 63.7148 32.2095 173.3700 6 R 4.0155 8.4704 128.5377 54.8172 29.8326 175.2318 7 C 4.1597 8.2596 120.0671 58.5875 32.3888 173.7207 8 F 4.4003 8.7530 126.7887 61.3080 38.3836 177.0011 9 S 4.2130 8.0700 114.6204 61.0255 63.0371 174.9441 10 C 4.4605 7.9389 112.1952 57.2392 30.0974 175.1409 11 G 3.9761 8.8089 108.2924 45.7380 0.0000 173.9784 12 K 3.9499 7.5873 121.0474 56.1335 32.4435 176.3174 13 V 3.6280 8.1445 118.9296 62.3860 31.9423 176.8967 14 V 4.4210 8.1562 119.2177 63.7506 33.8028 175.0781 15 G 3.7685 8.2187 109.3024 48.8034 0.0000 175.3083 16 D 4.4999 8.2841 119.5435 56.2681 39.8369 178.4535 17 K 3.9783 8.2945 119.3624 58.3658 32.0788 177.8048 18 W 4.6447 8.4134 129.4478 60.3533 30.5909 177.1405 19 E 3.7422 8.3689 117.2697 59.7137 29.2396 179.4190 20 S 4.0724 8.1585 114.2780 61.9536 62.6987 175.9020 21 Y 4.0300 7.6816 120.2317 61.0080 38.7918 177.9930 22 L 3.7020 7.3923 119.3577 57.7152 41.4631 179.4258 23 N 4.2145 7.7748 116.1226 56.1581 38.7842 177.3336 24 L 3.8839 7.6986 119.7553 56.9202 41.9758 178.4776 25 L 4.1093 7.5130 118.1980 56.5108 42.5645 178.3457 26 Q 3.8185 7.7800 118.3845 59.9682 29.5165 176.6156 27 E 3.9595 8.1802 121.5645 58.4399 30.2210 177.5290 28 D 4.3109 8.3152 115.3199 56.2453 41.3634 178.5599 29 E 4.1297 7.7400 116.7145 58.1418 25.9668 174.0306 30 L 4.6482 7.6739 124.0565 52.9240 45.0629 175.6788 31 D 4.9245 8.0122 117.7053 51.7518 41.5525 176.5819 32 E 3.9385 8.8892 122.7254 60.0083 29.6397 179.9086 33 G 3.9892 8.2495 104.7414 48.3993 0.0000 175.3616 34 T 4.0379 8.3649 117.5724 66.2748 68.9579 176.7832 35 A 4.0287 8.0707 122.0865 55.4971 18.0019 179.6070 36 L 4.0436 8.1891 116.9632 58.2890 41.8190 179.7192 37 S 4.1605 7.6041 114.1795 61.7567 62.5225 176.8556 38 R 3.9369 8.3350 120.6945 59.3261 29.9390 177.8257 39 L 4.3788 7.5846 115.1311 54.7939 41.7226 177.8705 40 G 3.8722 7.8877 107.4172 45.5230 0.0000 174.7105 41 L 4.2259 7.3661 120.3366 53.5025 39.8662 176.6589 42 K 4.0401 7.8826 125.9607 57.9834 32.7653 177.5365 43 R 4.3680 7.9812 113.4090 55.6334 31.1281 177.5036 44 Y 4.3111 9.5339 118.6455 60.8725 37.1926 178.6470 45 C 3.6198 7.6226 114.7924 61.1374 29.6615 175.0433 46 C 4.2667 8.0908 118.6256 61.8692 28.1303 176.0534 47 R 3.9560 7.8440 119.3760 59.4115 29.3639 178.9883 48 R 3.9128 8.7899 116.7225 59.5807 28.6783 178.2609 49 M 3.7825 7.5605 118.8346 58.6329 32.0146 178.3406 50 I 3.7212 7.3801 117.9967 64.2235 37.6811 177.2084 51 L 4.0595 7.7769 120.1118 57.6056 41.9901 177.5986 52 T 4.4386 7.2546 112.4221 63.8319 70.1358 174.5048 53 H 4.0172 7.5797 120.6972 56.5502 30.0271 175.0431 54 V 4.0558 8.0213 126.1908 60.7150 31.7794 175.6466 55 D 4.6437 7.7790 130.7724 53.9812 37.3239 176.0495 56 L 3.7771 7.7383 123.2760 57.8995 42.2178 178.9221 57 I 4.3310 8.3155 118.0466 64.5938 37.4276 177.3154 58 E 4.0104 7.8077 118.1691 59.5024 29.3073 179.2184 59 K 4.0818 8.2703 118.8064 59.1310 31.7732 179.5453 60 F 4.7215 7.7058 117.0171 60.8950 39.2182 177.0520 61 L 4.2920 8.7091 118.8920 57.7191 41.1511 179.1682 62 R 4.4150 7.5405 117.0502 57.3922 30.4264 176.4056 63 Y 4.3745 8.3024 113.4063 56.2491 41.4034 177.9915 64 N 4.3741 8.0371 124.5512 54.2603 39.8154 172.8527 65 P 4.4648 0.0000 0.0000 62.9918 31.6471 176.9010 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 4.52 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 2 I 8.12 2.76 1.84 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 1.32 0.18 0.84 0.00 0.00 3 V 8.54 3.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.36 0.00 0.00 4 P 0.00 4.32 0.00 1.89 2.02 0.00 3.41 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 5 V 8.32 3.66 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 0.81 0.00 0.00 0.93 0.00 0.00 6 R 8.47 4.02 0.00 2.01 1.96 0.00 3.32 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 7 C 8.26 4.16 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.75 4.40 0.00 2.98 3.01 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 0.00 0.00 0.00 0.00 9 S 8.07 4.21 0.00 3.81 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 10 C 7.94 4.46 0.00 3.06 3.09 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 11 G 8.81 3.98 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 0.00 0.00 0.00 12 K 7.59 3.95 0.00 1.84 1.70 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.41 7.81 13 V 8.14 3.63 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 0.73 0.00 0.00 0.94 0.00 0.00 14 V 8.16 4.42 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 0.70 0.00 0.00 0.99 0.00 0.00 15 G 8.22 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.28 4.50 0.00 2.96 2.97 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 0.00 0.00 0.00 17 K 8.29 3.98 0.00 1.93 2.01 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.64 7.81 18 W 8.41 4.64 0.00 3.37 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 E 8.37 3.74 0.00 2.10 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 0.00 2.45 2.58 0.00 20 S 8.16 4.07 0.00 3.90 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 4.03 0.00 2.90 3.02 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 22 L 7.39 3.70 0.00 1.37 1.44 -0.08 0.44 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 23 N 7.77 4.21 0.00 2.92 2.77 0.00 0.00 6.90 6.41 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 24 L 7.70 3.88 0.00 1.61 1.63 0.94 0.34 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 25 L 7.51 4.11 0.00 1.55 1.43 0.32 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.78 3.82 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 27 E 8.18 3.96 0.00 1.99 1.82 0.00 0.00 0.00 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 2.29 0.00 28 D 8.32 4.31 0.00 2.62 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 29 E 7.74 4.13 0.00 1.95 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 0.00 2.30 2.53 0.00 30 L 7.67 4.65 0.00 1.85 1.54 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.01 4.92 0.00 2.78 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 E 8.89 3.94 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 33 G 8.25 3.99 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 0.00 0.00 0.00 34 T 8.36 4.04 4.50 0.00 0.00 0.00 0.00 0.00 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 35 A 8.07 4.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.04 0.00 1.80 1.79 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.60 4.16 0.00 4.16 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.34 3.94 0.00 1.75 2.20 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 L 7.58 4.38 0.00 1.89 1.74 1.14 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.37 4.23 0.00 1.63 1.67 0.92 0.94 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 42 K 7.88 4.04 0.00 1.73 1.65 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.39 7.81 43 R 7.98 4.37 0.00 1.88 2.06 0.00 3.17 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 44 Y 9.53 4.31 0.00 3.24 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 45 C 7.62 3.62 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 4.27 0.00 3.10 2.97 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 0.00 0.00 0.00 47 R 7.84 3.96 0.00 2.06 2.03 0.00 3.33 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 48 R 8.79 3.91 0.00 2.03 2.32 0.00 2.73 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 49 M 7.56 3.78 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 50 I 7.38 3.72 1.70 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.26 0.00 0.00 51 L 7.78 4.06 0.00 1.61 1.94 1.02 0.90 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 52 T 7.25 4.44 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 1.22 0.00 0.00 53 H 7.58 4.02 0.00 2.99 2.98 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.02 4.06 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 0.84 0.00 0.00 0.96 0.00 0.00 55 D 7.78 4.64 0.00 2.51 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.74 3.78 0.00 1.78 1.01 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.32 4.33 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.18 1.02 0.00 0.00 58 E 7.81 4.01 0.00 2.11 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 2.68 2.59 0.00 59 K 8.27 4.08 0.00 1.47 1.74 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 60 F 7.71 4.72 0.00 3.25 3.07 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 61 L 8.71 4.29 0.00 1.99 1.81 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.54 4.41 0.00 1.76 1.94 0.00 3.18 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 63 Y 8.30 4.37 0.00 3.19 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.04 4.37 0.00 2.78 2.62 0.00 0.00 6.99 7.69 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 65 P 0.00 4.46 0.00 2.23 2.03 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00