NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.5196 8.4244 119.2055 53.0947 40.7025 174.2681 11 V 3.9704 7.4611 121.9145 60.3463 31.5833 173.6921 12 Q 4.1597 9.2500 128.6281 55.4645 30.3095 177.1126 13 R 4.1143 8.4882 121.4103 55.3138 32.1766 175.7951 14 P 4.2090 0.0000 0.0000 66.2879 31.2267 179.0318 15 L 4.0586 7.8129 114.8023 57.1978 41.9853 178.7677 16 D 4.6073 8.0817 118.8093 57.0894 41.0274 178.2672 17 A 4.1883 8.2372 121.4504 55.0354 18.2985 179.3041 18 L 3.8502 7.9714 119.1199 58.2394 42.1434 179.3511 19 G 4.2375 8.0763 105.0405 47.8209 0.0000 174.5943 20 N 4.7190 8.1293 116.4923 54.6499 38.9819 176.2117 21 S 4.6363 8.2102 116.8930 57.0832 63.4871 173.7783 22 L 4.3445 7.2843 122.7120 56.3508 41.7934 176.9000 23 N 4.3851 9.5469 119.4187 53.6990 36.8585 173.8971 24 S 5.0455 7.6908 113.1914 55.4096 66.6907 171.5573 25 P 5.0098 0.0000 0.0000 63.2080 32.3808 175.5593 26 V 5.1589 8.9372 115.1151 59.8557 36.9117 174.1356 27 I 4.8177 9.2158 121.9044 59.7196 40.6561 174.8693 28 I 4.7498 8.8841 127.8407 59.3848 39.9635 174.3094 29 K 4.5913 8.1211 129.0425 54.8374 33.7384 175.4483 30 L 5.1482 8.6383 126.9949 52.3977 45.1106 176.1654 31 K 3.9531 8.7405 121.0154 58.2242 32.0673 177.9513 32 G 3.8078 8.7372 110.4480 45.1586 0.0000 173.9531 33 D 4.7245 7.7925 116.5473 54.6196 39.2673 174.3146 34 R 4.1100 7.2815 118.6831 56.2304 31.4639 175.2759 35 E 5.0485 8.0181 122.5612 54.5294 33.1490 174.4010 36 F 5.3943 9.2266 124.0565 55.9060 43.5417 174.1698 37 R 5.0423 8.8848 118.6303 54.7165 34.8734 175.0569 38 G 3.9805 7.9642 107.8445 46.5648 0.0000 171.2431 39 V 4.6663 7.8177 120.2159 61.0643 33.1660 175.3170 40 L 4.3229 8.7579 131.1468 55.5711 42.2775 177.1096 41 K 4.4579 8.8520 126.5062 58.0070 34.1393 176.2057 42 S 4.6925 7.7373 112.4187 58.3023 65.8743 174.3210 43 F 5.7612 8.0624 113.9222 57.6794 40.3651 172.0773 44 D 4.9700 8.3780 117.7220 51.2873 42.2493 176.1194 45 L 4.0674 8.4017 117.6188 57.6684 41.6365 177.8990 46 H 4.4950 8.2292 114.5660 55.9336 28.9357 175.7022 47 M 3.3056 8.5427 119.1774 56.0732 31.2336 175.6812 48 N 4.9120 8.3421 114.2329 53.1346 39.9363 174.1394 49 L 5.3331 8.8366 120.3272 53.1968 46.9020 175.3455 50 V 4.7960 8.6199 120.8382 61.1589 34.3642 174.3422 51 L 5.3044 8.9607 127.1107 53.1267 45.3118 175.4056 52 N 5.0495 9.2247 120.0999 51.7686 41.4910 174.3534 53 D 4.5055 8.5684 117.4259 55.3607 38.8674 174.1294 54 A 4.6919 8.3692 119.9890 52.0364 20.2778 177.7503 55 E 5.1580 9.3971 120.2290 54.6358 34.1787 174.3854 56 E 4.4369 9.2234 125.1640 54.9914 31.1636 174.7415 57 L 5.2310 8.7796 125.7820 53.0058 45.4935 175.3955 58 E 4.5831 8.6559 122.0030 55.7483 32.7257 176.3126 59 D 4.4386 9.0554 129.0478 53.7764 40.0088 175.0678 60 G 4.6162 7.7121 119.1874 45.7933 0.0000 171.9453 61 E 4.5957 7.1940 119.2849 53.7743 31.7537 175.5034 62 V 3.9970 8.3530 121.5741 63.7615 31.7421 175.4774 63 T 4.5524 8.5702 117.2088 61.8140 70.5032 174.4761 64 R 4.5723 7.6356 121.2358 55.4263 33.7073 173.2270 65 R 5.0340 8.7156 125.0028 54.7650 31.5544 175.6719 66 L 4.4923 9.2240 123.6492 52.6345 43.6327 178.7890 67 G 3.8720 8.2380 107.7511 46.9087 0.0000 174.5301 68 T 4.8530 8.4534 121.6245 62.6362 69.3062 173.6658 69 V 4.4860 8.7802 125.2227 60.9103 35.6758 173.5999 70 L 5.0342 8.4519 127.2673 53.4277 44.0231 175.2199 71 I 4.3137 8.4187 127.6237 59.3853 39.7106 175.2542 72 R 4.5123 8.4810 127.3673 55.6111 30.9306 177.2912 73 G 3.9727 9.8943 114.9064 47.4882 0.0000 175.1572 74 D 4.4650 8.0028 117.9891 55.6584 39.6839 176.8918 75 N 4.5575 8.0675 116.6850 54.4686 38.9984 174.9752 76 I 4.2015 7.5097 120.1559 61.1757 37.9477 175.3168 77 V 4.2730 8.6290 125.7827 64.4665 32.2260 175.1420 78 Y 5.0326 7.0904 116.0508 55.9238 41.6760 172.7645 79 I 5.2947 8.4819 120.0095 59.7122 40.7126 174.9675 80 S 4.8439 9.2575 120.2792 56.4397 67.2977 173.0778 81 R 4.2963 8.5817 119.3460 56.3134 30.5022 177.7889 82 G 4.0096 8.4513 111.4020 45.4780 0.0000 172.6966 83 K 4.5833 8.4310 120.1876 54.7942 33.7299 177.1656 84 L 4.2017 8.3245 122.5900 55.1580 41.5999 177.0475 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 10 N 8.42 4.52 0.00 2.68 2.91 0.00 0.00 6.84 6.83 0.00 0.00 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 7.46 3.97 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 0.85 0.00 0.00 0.93 0.00 0.00 12 Q 9.25 4.16 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 13 R 8.49 4.11 0.00 1.83 1.86 0.00 3.33 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 14 P 0.00 4.21 0.00 2.14 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 15 L 7.81 4.06 0.00 1.65 1.87 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.08 4.61 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 4.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.85 0.00 1.63 1.13 -0.07 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.08 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 0.00 0.00 0.00 0.00 20 N 8.13 4.72 0.00 2.87 2.90 0.00 0.00 6.93 7.12 0.00 0.00 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 S 8.21 4.64 0.00 3.92 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 22 L 7.28 4.34 0.00 1.74 1.67 0.95 1.04 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 23 N 9.55 4.39 0.00 2.86 2.97 0.00 0.00 6.81 7.90 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 24 S 7.69 5.05 0.00 3.90 3.95 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 25 P 0.00 5.01 0.00 2.16 2.23 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 26 V 8.94 5.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.01 0.00 0.00 27 I 9.22 4.82 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.99 0.00 0.00 28 I 8.88 4.75 1.95 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 1.11 0.77 0.89 0.00 0.00 29 K 8.12 4.59 0.00 1.12 0.74 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.04 1.23 7.81 30 L 8.64 5.15 0.00 1.66 1.68 1.07 0.50 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 31 K 8.74 3.95 0.00 1.70 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.54 7.81 32 G 8.74 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.79 4.72 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.28 4.11 0.00 1.69 1.69 0.00 3.15 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 35 E 8.02 5.05 0.00 2.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 36 F 9.23 5.39 0.00 3.01 2.90 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 0.00 0.00 0.00 37 R 8.88 5.04 0.00 1.74 1.78 0.00 3.20 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 38 G 7.96 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 39 V 7.82 4.67 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 1.00 0.00 0.00 0.99 0.00 0.00 40 L 8.76 4.32 0.00 1.86 1.73 1.04 0.30 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 41 K 8.85 4.46 0.00 1.78 1.84 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.65 7.81 42 S 7.74 4.69 0.00 3.72 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 5.76 0.00 3.08 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 44 D 8.38 4.97 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 4.07 0.00 1.55 1.74 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.23 4.49 0.00 3.35 3.33 0.00 5.69 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 47 M 8.54 3.31 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 48 N 8.34 4.91 0.00 2.99 2.74 0.00 0.00 6.78 6.33 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 49 L 8.84 5.33 0.00 1.54 1.53 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.62 4.80 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 1.11 0.00 0.00 0.93 0.00 0.00 51 L 8.96 5.30 0.00 1.57 1.51 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.22 5.05 0.00 2.62 2.72 0.00 0.00 6.99 7.62 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 53 D 8.57 4.51 0.00 2.80 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 54 A 8.37 4.69 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 55 E 9.40 5.16 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 56 E 9.22 4.44 0.00 1.96 1.65 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 0.00 1.74 1.47 0.00 57 L 8.78 5.23 0.00 1.59 1.42 0.87 0.83 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 58 E 8.66 4.58 0.00 1.86 1.67 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 2.16 2.22 0.00 59 D 9.06 4.44 0.00 3.01 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.71 4.62 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 0.00 0.00 0.00 61 E 7.19 4.60 0.00 2.09 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 2.24 2.18 0.00 62 V 8.35 4.00 2.07 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 0.85 0.00 0.00 0.97 0.00 0.00 63 T 8.57 4.55 4.21 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 1.23 0.00 0.00 64 R 7.64 4.57 0.00 1.92 1.75 0.00 3.21 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 65 R 8.72 5.03 0.00 1.72 1.84 0.00 3.23 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 66 L 9.22 4.49 0.00 1.51 1.71 1.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.24 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 68 T 8.45 4.85 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 1.30 0.00 0.00 69 V 8.78 4.49 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 0.86 0.00 0.00 0.92 0.00 0.00 70 L 8.45 5.03 0.00 1.63 1.48 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.42 4.31 1.75 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.56 0.77 0.00 0.00 72 R 8.48 4.51 0.00 1.81 1.77 0.00 3.17 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.77 0.00 73 G 9.89 3.97 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 0.00 0.00 0.00 74 D 8.00 4.46 0.00 2.79 2.82 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 0.00 0.00 0.00 75 N 8.07 4.56 0.00 2.88 2.89 0.00 0.00 6.85 7.08 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 76 I 7.51 4.20 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.91 0.00 0.00 77 V 8.63 4.27 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 0.92 0.00 0.00 0.94 0.00 0.00 78 Y 7.09 5.03 0.00 3.03 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 79 I 8.48 5.29 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.91 0.00 0.00 80 S 9.26 4.84 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.58 4.30 0.00 1.73 1.92 0.00 3.37 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 82 G 8.45 4.01 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 0.00 0.00 0.00 83 K 8.43 4.58 0.00 1.73 1.71 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 84 L 8.32 4.20 0.00 1.68 1.57 0.93 0.84 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