NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 3.8996 8.0244 121.4514 62.0635 38.3627 172.7228 10 D 4.0993 8.6674 128.5854 52.1613 38.6983 170.3718 11 P 4.9401 0.0000 0.0000 62.5593 33.5649 176.8500 12 R 4.1348 7.7338 120.1368 56.6366 31.5412 173.8494 13 I 4.3401 8.0098 118.3574 61.4436 36.9818 174.7515 14 H 4.6975 8.4123 120.9067 54.2428 30.2949 172.0192 15 Y 3.8643 8.3017 125.7142 57.8358 38.4103 170.4561 16 L 3.9351 8.2542 120.2065 56.6505 43.3284 178.0351 17 V 3.7261 7.6151 119.6400 60.6620 31.5770 174.1908 18 P 4.8949 0.0000 0.0000 62.2248 33.2352 175.0268 19 K 4.5464 8.2324 118.2976 55.7088 33.4664 175.8712 20 H 5.4149 8.9351 121.9243 54.1697 31.2333 173.9585 21 E 4.7665 9.0287 121.3617 54.4236 33.3000 175.2802 22 V 4.1293 8.5220 124.2361 62.7819 32.4434 175.0956 23 L 4.6430 8.0053 127.2102 53.5374 43.0524 176.9937 24 S 4.3440 8.6924 119.2658 58.1580 63.6521 175.4332 25 I 3.6843 8.6181 124.9821 64.9143 36.8391 178.3622 26 D 4.3970 8.0588 119.1339 57.4183 40.7142 178.3544 27 E 4.2417 8.1676 116.8715 58.7158 29.9595 178.3052 28 A 3.9813 8.3868 121.9622 54.5383 18.5027 179.0348 29 Y 3.9251 7.8006 118.8652 60.7966 38.5111 177.8397 30 K 3.9604 7.8487 119.1097 59.1715 32.0970 179.0104 31 I 3.6749 7.4108 120.4994 64.3190 37.1204 178.2203 32 L 3.8669 7.4445 119.5365 57.6800 41.1685 179.6145 33 K 3.8269 7.3933 118.2359 59.2859 32.1390 178.5107 34 E 4.0637 7.4336 117.0774 59.2122 29.4629 178.8328 35 L 4.1988 8.2143 117.9458 54.6579 42.3934 176.8831 36 G 3.9001 8.0410 106.9490 46.5868 0.0000 173.3395 37 I 4.6590 7.2795 109.5285 58.3331 41.3889 175.4397 38 R 4.1602 8.3435 120.5109 55.3249 30.5504 176.1375 39 P 4.4271 0.0000 0.0000 64.8483 31.5049 177.4187 40 E 3.9938 7.8342 117.9202 58.6945 29.6195 176.6856 41 Q 4.3964 7.5886 117.2119 56.1233 29.5287 175.3769 42 L 4.8476 7.4735 116.2461 51.9498 44.8159 175.8412 43 P 4.1071 0.0000 0.0000 63.7509 31.4428 175.5821 44 W 4.3575 8.1326 118.1331 56.5546 29.5480 173.4823 45 I 4.7231 8.1146 119.9534 58.9565 40.6311 174.9388 46 R 4.2733 8.5770 125.8681 56.0704 30.6132 177.6914 47 A 4.0491 8.4189 123.6944 55.2517 18.6521 179.4948 48 S 4.2054 7.9553 110.9777 60.9120 63.3215 174.3795 49 D 4.3660 7.7039 120.6495 53.8798 41.2106 175.3284 50 P 4.2273 0.0000 0.0000 66.1540 31.6431 178.4114 51 V 3.6313 7.9093 117.5364 65.8361 31.1348 177.8065 52 A 4.0415 7.7436 120.5287 55.0403 17.6896 179.6198 53 R 3.9752 7.9331 115.8435 58.7162 29.9989 178.8359 54 S 4.1539 7.6400 112.8526 61.0120 62.5485 175.2462 55 I 4.0587 7.6996 118.4903 60.2688 38.9226 174.2406 56 N 4.0289 7.4825 115.1765 53.7513 35.5659 171.8866 57 A 4.7056 8.1374 121.9190 49.5306 21.7557 176.7695 58 K 4.0408 8.3707 121.9587 55.4452 32.8124 175.0385 59 P 4.3501 0.0000 0.0000 65.4395 30.5970 175.5639 60 G 3.8747 8.1977 120.9464 46.1057 0.0000 172.3048 61 D 4.3869 7.0252 120.0157 53.8362 41.1290 175.5246 62 I 4.4150 8.0348 116.1477 59.4745 39.7157 175.0773 63 I 4.2424 8.4877 127.8586 61.1229 38.7825 174.7031 64 R 5.0965 9.2495 126.2825 54.7964 32.7091 174.2575 65 I 4.7800 8.7324 127.9823 59.6661 39.3220 174.6075 66 I 4.6932 8.4542 128.8353 59.6387 38.8751 174.9601 67 R 4.6711 8.3626 123.6932 53.8134 32.4922 175.7246 68 K 4.7526 8.5522 120.4900 57.1304 33.5824 176.3484 69 S 4.4841 8.5720 114.3159 57.8150 65.4555 175.7527 70 Q 4.1397 9.1370 126.7176 58.1294 29.0392 177.0796 71 L 4.4534 8.0204 116.3478 56.1755 42.8104 176.6523 72 Y 4.5680 8.0759 115.3317 56.7518 38.9812 175.1717 73 G 4.0166 8.0132 110.8675 45.3780 0.0000 172.8542 74 E 5.2634 7.4649 118.1901 53.6682 33.9298 174.6064 75 V 4.5230 8.8485 123.5372 61.0557 34.9361 174.1138 76 V 4.5471 8.4112 127.3257 61.4879 32.7624 174.4580 77 S 4.4348 8.3381 121.5313 56.5923 66.5127 171.4845 78 Y 5.3847 8.2173 118.5077 56.6919 42.1042 174.5660 79 R 4.9141 8.6047 118.0818 55.6244 33.3224 174.1439 80 Y 4.5429 8.7103 115.6976 57.1749 41.4539 172.4742 81 V 4.2150 8.2128 125.9667 62.9982 31.8846 171.1566 82 I 3.9384 8.1126 126.3855 61.4028 37.4195 175.4461 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 9 I 8.02 3.90 1.87 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 1.30 1.07 0.92 0.00 0.00 10 D 8.67 4.10 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.94 0.00 2.23 2.14 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 12 R 7.73 4.13 0.00 1.80 1.88 0.00 3.31 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.55 0.00 13 I 8.01 4.34 1.85 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 1.42 1.67 0.86 0.00 0.00 14 H 8.41 4.70 0.00 3.22 3.20 0.00 5.82 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.30 3.86 0.00 3.02 2.92 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 16 L 8.25 3.94 0.00 1.62 1.56 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.62 3.73 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.00 0.00 0.00 18 P 0.00 4.89 0.00 2.02 2.09 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 19 K 8.23 4.55 0.00 1.75 1.78 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 20 H 8.94 5.41 0.00 2.96 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.03 4.77 0.00 2.02 1.83 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 0.00 2.24 2.25 0.00 22 V 8.52 4.13 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 0.77 0.00 0.00 0.94 0.00 0.00 23 L 8.01 4.64 0.00 1.73 1.58 0.87 0.99 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 24 S 8.69 4.34 0.00 3.86 3.78 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 25 I 8.62 3.68 1.87 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 1.64 0.94 0.92 0.00 0.00 26 D 8.06 4.40 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.24 0.00 2.21 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 2.49 2.40 0.00 28 A 8.39 3.98 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 29 Y 7.80 3.93 0.00 3.13 3.20 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 30 K 7.85 3.96 0.00 2.02 1.98 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 31 I 7.41 3.67 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.51 0.00 0.00 32 L 7.44 3.87 0.00 1.63 1.60 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.39 3.83 0.00 1.23 1.51 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.33 7.81 34 E 7.43 4.06 0.00 2.26 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 2.31 2.53 0.00 35 L 8.21 4.20 0.00 1.56 1.71 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.04 3.90 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 0.00 0.00 0.00 37 I 7.28 4.66 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.91 0.00 0.00 38 R 8.34 4.16 0.00 1.86 1.85 0.00 3.12 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 1.70 1.59 0.00 39 P 0.00 4.43 0.00 2.17 2.30 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 40 E 7.83 3.99 0.00 1.97 2.24 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 2.32 2.17 0.00 41 Q 7.59 4.40 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 42 L 7.47 4.85 0.00 1.95 1.69 1.08 1.14 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 43 P 0.00 4.11 0.00 2.22 2.15 0.00 3.98 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 44 W 8.13 4.36 0.00 3.69 3.19 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 0.00 0.00 0.00 0.00 45 I 8.11 4.72 1.98 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 1.46 1.61 0.98 0.00 0.00 46 R 8.58 4.27 0.00 1.94 1.93 0.00 3.20 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 47 A 8.42 4.05 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 48 S 7.96 4.21 0.00 3.88 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 49 D 7.70 4.37 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 50 P 0.00 4.23 0.00 2.22 2.20 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 51 V 7.91 3.63 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.88 0.00 0.00 52 A 7.74 4.04 1.30 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 0.00 0.00 0.00 53 R 7.93 3.98 0.00 1.86 1.98 0.00 3.12 0.00 0.00 3.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 54 S 7.64 4.15 0.00 4.01 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 4.06 1.87 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 1.65 0.82 0.94 0.00 0.00 56 N 7.48 4.03 0.00 2.93 2.82 0.00 0.00 6.67 7.23 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 57 A 8.14 4.71 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 58 K 8.37 4.04 0.00 1.78 1.69 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 59 P 0.00 4.35 0.00 1.96 1.95 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 60 G 8.20 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 61 D 7.03 4.39 0.00 2.61 2.58 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 0.00 0.00 0.00 62 I 8.03 4.41 2.09 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 1.37 0.90 1.11 0.00 0.00 63 I 8.49 4.24 1.96 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 1.31 0.93 1.00 0.00 0.00 64 R 9.25 5.10 0.00 2.07 2.01 0.00 3.32 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 65 I 8.73 4.78 1.73 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.49 0.76 0.00 0.00 66 I 8.45 4.69 1.85 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 1.27 1.07 0.91 0.00 0.00 67 R 8.36 4.67 0.00 1.83 1.93 0.00 2.73 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 68 K 8.55 4.75 0.00 1.64 1.79 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.42 7.81 69 S 8.57 4.48 0.00 3.91 3.78 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 70 Q 9.14 4.14 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 71 L 8.02 4.45 0.00 1.67 1.76 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.08 4.57 0.00 2.78 2.87 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 73 G 8.01 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 74 E 7.46 5.26 0.00 1.74 1.78 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 2.18 2.24 0.00 75 V 8.85 4.52 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 0.92 0.00 0.00 1.05 0.00 0.00 76 V 8.41 4.55 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.93 0.00 0.00 77 S 8.34 4.43 0.00 3.77 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.22 5.38 0.00 2.92 2.98 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 79 R 8.60 4.91 0.00 1.80 1.99 0.00 3.56 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 80 Y 8.71 4.54 0.00 3.05 3.21 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 0.00 81 V 8.21 4.21 1.84 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 0.85 0.00 0.00 0.91 0.00 0.00 82 I 8.11 3.94 1.68 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.34 0.68 0.00 0.00