NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4274 8.1627 118.3246 55.2519 33.6279 173.3379 2 Q 4.7042 8.2255 121.1836 53.0519 30.7455 172.8605 3 I 4.6613 9.0613 120.1278 59.0053 42.2426 173.4459 4 F 5.3722 8.9237 120.9008 55.6728 42.4722 175.0176 5 V 4.6669 9.1426 122.3236 61.3174 34.1774 174.1265 6 K 5.2323 9.0254 128.6700 54.7674 34.5633 176.9468 7 T 4.6332 8.5383 114.5799 60.9923 69.7138 175.4128 8 L 4.2432 8.3842 120.2417 56.3541 41.5043 177.7251 9 T 4.2342 7.5791 112.8256 61.7215 67.8912 175.2246 10 G 4.0281 8.2496 109.2036 45.1083 0.0000 174.0448 11 K 4.0968 7.9640 120.0738 57.0032 33.1976 175.7359 12 T 5.0559 8.5094 121.1644 61.9517 70.6798 173.6745 13 I 4.4520 8.9910 127.7953 60.1579 39.4040 174.6790 14 T 5.0089 8.5641 123.2254 61.9051 70.2924 173.8120 15 L 4.7477 8.7137 126.4136 52.7688 45.3970 175.1614 16 E 4.8671 8.6469 123.3487 55.0979 30.5658 175.0191 17 V 4.8329 8.8965 120.2014 59.5678 36.1609 174.3885 18 E 4.7301 9.0067 117.8744 54.0415 32.7074 175.2416 19 P 4.1738 0.0000 0.0000 65.7082 31.5258 178.4107 20 S 4.3746 7.9012 110.2614 59.2694 63.7830 174.1589 21 D 4.3793 8.1902 123.8917 54.5646 41.1441 176.4659 22 T 4.6647 8.3007 114.4535 61.3901 71.0970 175.6141 23 I 3.7375 8.5197 122.6220 64.3635 36.9071 178.4702 24 E 3.9311 8.4913 120.5475 59.3187 29.4553 178.5150 25 N 4.2828 8.2045 116.5370 56.4195 38.6015 177.5001 26 V 3.5777 7.6830 119.4493 65.9985 31.6310 178.2952 27 K 4.5028 8.5562 119.4173 58.8463 31.8581 179.2363 28 A 4.0298 8.2957 121.4404 55.1033 18.3713 179.8814 29 K 4.2540 8.0502 118.3816 59.0171 32.0885 179.7123 30 I 3.8042 7.7096 120.3261 64.0622 36.8580 178.2590 31 Q 4.1402 7.9837 122.0816 58.7288 28.9440 177.7913 32 D 4.3308 8.2683 119.9301 57.0437 40.5891 178.5414 33 K 4.3221 7.8551 117.2703 57.4034 32.6537 177.3362 34 E 4.4919 8.3733 115.6800 55.1088 31.6188 177.0593 35 G 3.8799 8.4877 106.4661 45.1967 0.0000 173.1486 36 I 4.1194 7.3846 121.4067 59.2542 37.9033 173.8036 37 P 4.4981 0.0000 0.0000 61.8278 32.0658 175.6237 38 P 4.2810 0.0000 0.0000 65.7838 31.4091 178.5497 39 D 4.3456 8.0291 116.0218 55.7807 39.6114 176.9097 40 Q 4.2691 8.1156 117.9072 56.4385 29.5926 174.6741 41 Q 4.8987 8.1588 119.1658 54.2718 30.9723 174.4666 42 R 4.8615 9.3968 124.7608 54.4703 32.8142 174.2205 43 L 5.2415 8.4750 125.5043 53.1756 44.7656 175.3756 44 I 5.1110 8.7691 122.9478 59.6330 41.6343 174.1846 45 F 5.1099 9.0220 127.8824 57.0535 43.0292 174.2596 46 A 3.4403 8.9121 127.4556 53.0616 15.9238 177.7218 47 G 3.8192 8.3962 106.7350 48.0020 0.0000 174.8410 48 K 4.6148 8.0042 121.7467 52.3620 33.7354 179.7700 49 Q 4.6402 8.5267 122.3551 55.2045 29.5530 175.3358 50 L 4.3811 8.4869 123.9695 53.2271 43.4703 175.9042 51 E 4.4517 9.6020 123.9793 55.3608 30.8403 177.0914 52 D 4.4048 9.0779 124.6741 57.6131 41.0224 179.0999 53 G 3.8451 7.9430 104.1222 46.1575 0.0000 173.8764 54 R 4.2220 8.0225 120.5379 55.6200 30.8598 176.5462 55 T 4.8221 8.4924 111.9998 60.6958 70.3062 175.9927 56 L 3.9807 8.7401 122.2711 57.9881 41.9183 180.2684 57 S 4.1066 8.2282 113.4108 61.3051 63.1423 175.8921 58 D 4.0933 8.1845 120.6181 57.3454 40.5418 177.3061 59 Y 4.4630 7.3982 112.8861 56.9281 38.2325 174.8018 60 N 4.1406 8.5629 118.5398 54.4287 37.9653 174.5095 61 I 3.8183 7.8477 117.7953 60.3298 38.0902 175.8562 62 Q 4.7354 8.3956 125.0723 53.0303 31.7767 174.8680 63 K 4.0238 8.3234 117.4067 58.9950 32.5681 176.9369 64 E 3.9284 9.3131 120.1725 56.6980 28.0062 175.0052 65 S 4.5530 7.8753 115.8008 58.9588 64.3218 173.2415 66 T 5.1538 8.6923 118.6570 62.1089 70.5950 173.9978 67 L 4.9360 9.3970 127.0159 53.7861 44.8724 175.0304 68 H 5.3393 9.2778 117.4148 54.0710 31.8059 172.7981 69 L 4.8789 9.0357 126.3019 53.8166 43.0716 175.7975 70 V 4.5771 9.0232 125.8624 60.8281 35.2292 174.3161 71 L 4.5948 8.5536 126.4375 54.6572 42.4530 176.1481 72 R 4.4657 9.0076 125.1911 54.8387 30.8601 175.9618 73 L 4.5207 8.3982 126.3422 53.3725 43.2663 176.8280 74 R 4.3192 8.2667 119.4061 56.3646 32.3487 176.1821 75 G 4.2007 8.8306 107.7715 46.2482 0.0000 172.9065 76 G 3.7302 9.4190 111.4541 45.6307 0.0000 173.8509 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 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 Q 8.23 4.70 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 1.63 2.12 0.00 3 I 9.06 4.66 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.87 0.77 0.00 0.00 4 F 8.92 5.37 0.00 3.03 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 5 V 9.14 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 0.89 0.00 0.00 0.92 0.00 0.00 6 K 9.03 5.23 0.00 1.63 1.69 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.36 7.81 7 T 8.54 4.63 4.25 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 1.22 0.00 0.00 8 L 8.38 4.24 0.00 1.65 1.76 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.58 4.23 4.25 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 1.24 0.00 0.00 10 G 8.25 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 0.00 0.00 0.00 11 K 7.96 4.10 0.00 1.74 1.76 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.48 7.81 12 T 8.51 5.06 4.25 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 1.31 0.00 0.00 13 I 8.99 4.45 1.96 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 1.37 0.76 0.92 0.00 0.00 14 T 8.56 5.01 4.29 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 1.13 0.00 0.00 15 L 8.71 4.75 0.00 1.45 1.45 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 4.87 0.00 1.92 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 2.17 2.27 0.00 17 V 8.90 4.83 2.15 0.00 0.00 0.00 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 0.88 0.00 0.00 18 E 9.01 4.73 0.00 1.97 1.96 0.00 0.00 0.00 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 2.24 0.00 19 P 0.00 4.17 0.00 2.18 2.14 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.90 4.37 0.00 3.97 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 21 D 8.19 4.38 0.00 2.79 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 22 T 8.30 4.66 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 1.27 0.00 0.00 23 I 8.52 3.74 2.15 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 1.85 0.98 0.95 0.00 0.00 24 E 8.49 3.93 0.00 2.17 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 0.00 2.31 2.40 0.00 25 N 8.20 4.28 0.00 2.98 2.85 0.00 0.00 6.67 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.68 3.58 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 1.00 0.00 0.00 0.94 0.00 0.00 27 K 8.56 4.50 0.00 1.98 1.86 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.47 7.81 28 A 8.30 4.03 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 29 K 8.05 4.25 0.00 1.96 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.53 7.81 30 I 7.71 3.80 2.15 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 1.40 0.87 0.93 0.00 0.00 31 Q 7.98 4.14 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 32 D 8.27 4.33 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 4.32 0.00 1.76 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.61 7.81 34 E 8.37 4.49 0.00 2.01 1.94 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 2.32 2.36 0.00 35 G 8.49 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 0.00 0.00 0.00 36 I 7.38 4.12 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 1.42 1.15 0.91 0.00 0.00 37 P 0.00 4.50 0.00 2.35 1.97 0.00 3.61 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.28 0.00 2.17 2.23 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.03 4.35 0.00 2.78 2.81 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 40 Q 8.12 4.27 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 Q 8.16 4.90 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 42 R 9.40 4.86 0.00 1.82 1.88 0.00 3.06 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 43 L 8.48 5.24 0.00 1.58 1.49 0.90 0.74 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 44 I 8.77 5.11 1.91 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 0.69 0.94 0.00 0.00 45 F 9.02 5.11 0.00 2.93 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 46 A 8.91 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.40 3.82 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 0.00 0.00 0.00 48 K 8.00 4.61 0.00 1.63 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.25 7.81 49 Q 8.53 4.64 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.49 4.38 0.00 1.35 1.22 0.72 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.60 4.45 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 52 D 9.08 4.40 0.00 2.76 2.77 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 53 G 7.94 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 0.00 0.00 0.00 54 R 8.02 4.22 0.00 2.22 1.68 0.00 3.21 0.00 0.00 2.95 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 55 T 8.49 4.82 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 56 L 8.74 3.98 0.00 1.89 1.71 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.23 4.11 0.00 4.01 4.11 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 0.00 0.00 0.00 0.00 58 D 8.18 4.09 0.00 2.71 2.41 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 0.00 0.00 0.00 0.00 59 Y 7.40 4.46 0.00 3.12 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 60 N 8.56 4.14 0.00 2.80 2.94 0.00 0.00 7.09 5.21 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 61 I 7.85 3.82 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.22 0.54 0.00 0.00 62 Q 8.40 4.74 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 63 K 8.32 4.02 0.00 1.83 1.80 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.31 3.93 0.00 2.16 2.29 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 2.34 2.59 0.00 65 S 7.88 4.55 0.00 3.69 3.72 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 66 T 8.69 5.15 4.36 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 1.19 0.00 0.00 67 L 9.40 4.94 0.00 1.56 1.60 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.28 5.34 0.00 3.08 3.20 0.00 5.80 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 69 L 9.04 4.88 0.00 1.59 1.58 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.02 4.58 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.55 4.59 0.00 1.58 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.01 4.47 0.00 1.77 1.98 0.00 3.25 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 73 L 8.40 4.52 0.00 1.67 1.57 0.92 1.00 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 74 R 8.27 4.32 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 75 G 8.83 4.20 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 0.00 76 G 9.42 3.73 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 0.00 0.00 0.00