NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5263 8.1633 118.3260 55.2922 33.5725 173.3296 2 Q 4.9088 8.1923 115.9417 52.3616 32.7255 173.3577 3 I 4.4948 9.1125 117.0621 59.0586 42.2552 173.6052 4 F 5.3312 9.9183 121.4777 55.7949 41.9668 175.0512 5 V 4.8383 8.9658 124.8736 61.5569 34.2664 175.3185 6 K 4.7634 8.9944 133.0100 55.1281 32.2759 173.5111 7 T 4.4566 7.8078 119.4264 60.4280 70.5689 174.4029 8 L 4.2812 8.4359 119.4384 56.6589 42.3526 177.2370 9 T 4.2713 7.7905 115.5616 62.8440 68.7973 176.6688 10 G 3.9724 8.3007 112.5337 46.2452 0.0000 175.2992 11 K 4.2917 7.2824 120.2243 55.1370 32.2534 180.4111 12 T 5.2659 8.1785 111.1974 64.2235 72.2486 173.7374 13 I 4.6273 9.1052 120.2690 59.5219 40.9147 174.3688 14 T 4.9243 8.4432 119.8765 62.0229 70.4020 173.8094 15 L 4.6531 8.5779 126.4019 52.7946 44.6203 175.1136 16 E 4.7631 8.7331 125.1107 55.3605 30.1389 175.2954 17 V 4.7175 8.6864 119.8954 59.7067 36.1462 174.7471 18 E 4.7217 8.8184 120.5382 54.0213 32.0791 176.1599 19 P 4.2477 0.0000 0.0000 65.6049 31.6025 178.4600 20 S 4.4831 7.8778 111.6249 58.8915 63.5732 173.9452 21 D 4.3153 7.7818 121.9499 54.9640 41.2019 176.8915 22 T 4.7240 8.3127 114.0436 60.7893 70.2100 175.6212 23 I 3.8055 8.6278 125.3660 65.1287 37.0124 179.3242 24 E 4.0396 8.0500 119.3739 61.0500 29.4566 181.9322 25 N 4.5390 7.9789 116.4270 56.3821 38.6197 177.7548 26 V 3.5788 7.5877 119.1403 65.7942 31.7541 177.9056 27 K 4.4242 8.6715 119.8161 58.9368 31.4392 179.0319 28 A 4.0087 7.8695 120.3925 55.1921 17.7597 179.7678 29 K 3.9215 8.0868 116.9298 59.7945 32.0945 179.6721 30 I 3.8177 7.7900 120.0578 64.1573 36.8454 178.1586 31 Q 4.3854 8.0067 121.9582 58.5647 28.5425 178.3233 32 D 4.3963 7.7021 121.0353 58.0142 41.1255 179.2876 33 K 4.2192 7.6110 121.3613 58.5374 31.7921 179.1639 34 E 4.6291 8.1284 115.7372 58.4220 31.5562 176.8837 35 G 4.0477 7.6578 104.6712 45.6037 0.0000 174.1754 36 I 3.9353 7.8151 121.9429 60.1440 37.9995 173.8779 37 P 4.5195 0.0000 0.0000 61.8476 32.2419 175.6699 38 P 4.2759 0.0000 0.0000 65.8976 31.3853 178.5088 39 Q 4.2241 8.0663 114.8610 57.7001 28.9473 176.2859 40 Q 4.6190 8.1447 116.1089 55.6143 30.8942 175.2532 41 Q 4.7293 7.9481 119.1050 54.7872 31.2329 174.9607 42 R 4.7550 8.7285 121.9914 54.8777 33.6516 173.4856 43 L 4.9418 8.5972 126.3681 53.1451 44.1747 175.3597 44 I 4.9416 8.5973 124.6626 59.6664 40.1937 174.6660 45 F 4.9137 9.4628 127.8295 57.4527 43.0763 174.2134 46 A 3.4076 8.9449 129.3666 53.0231 15.7995 177.5555 47 G 3.9171 8.0742 107.9812 45.8974 0.0000 173.8042 48 K 4.5375 8.1662 119.8721 54.6071 34.0342 174.8592 49 Q 4.7739 8.4206 123.7923 55.2419 30.1160 174.6406 50 L 4.1469 8.1179 126.8224 53.6552 42.9671 176.4340 51 E 4.3630 9.1323 123.6191 55.6626 30.5756 177.6109 52 D 4.3713 9.1029 122.6882 57.1947 41.0710 178.4746 53 G 4.1517 8.0647 104.8586 45.1079 0.0000 173.1137 54 R 4.6129 7.8925 119.1963 54.3676 32.7171 175.9969 55 T 4.9261 7.9096 110.5181 60.0658 71.0669 175.6432 56 L 4.2216 8.3065 120.8936 57.3420 41.9840 180.1328 57 S 4.3041 7.8314 112.5513 61.0046 63.5824 176.0999 58 D 4.2416 7.7982 120.5362 57.6285 40.4431 177.5347 59 Y 4.1554 7.4223 111.7677 58.1217 38.5435 174.9858 60 N 4.1596 7.9111 118.0600 54.3505 37.2540 172.7526 61 I 4.1907 8.5400 119.0620 59.4984 39.2680 176.0307 62 Q 4.6368 8.1344 123.9780 53.4060 31.4742 174.8257 63 K 4.0901 8.3595 117.6055 58.3835 32.3254 176.8949 64 E 3.7779 9.5311 120.8608 57.2438 27.4143 175.1765 65 S 4.6066 7.6786 115.3247 59.0285 64.2546 173.2188 66 T 5.1435 8.7164 118.2874 61.9293 71.1971 173.3363 67 L 5.0371 9.2160 126.4824 53.2463 44.5999 175.3400 68 H 4.7502 8.8880 121.7646 55.2984 29.7663 174.2753 69 L 4.6881 8.6863 126.7963 54.2090 43.1966 175.9885 70 V 4.5734 8.6443 124.6966 60.8283 35.3150 174.3386 71 L 4.3442 8.5963 127.9735 55.1693 42.9463 176.9612 72 R 4.5420 8.4537 128.7086 55.0014 28.4372 175.5525 73 L 4.9954 8.1003 123.9535 52.6115 45.6963 177.4978 74 R 4.3124 7.9999 118.5910 54.6799 31.4492 176.6430 75 G 4.4429 8.9610 105.1357 47.9569 0.0000 172.5386 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 4.53 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 2 Q 8.19 4.91 0.00 1.87 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 3 I 9.11 4.49 1.88 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 1.10 0.66 0.83 0.00 0.00 4 F 9.92 5.33 0.00 3.10 2.94 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 5 V 8.97 4.84 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 1.00 0.00 0.00 0.94 0.00 0.00 6 K 8.99 4.76 0.00 1.49 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.26 7.81 7 T 7.81 4.46 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 8.44 4.28 0.00 1.66 1.75 0.92 0.84 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 9 T 7.79 4.27 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 1.21 0.00 0.00 10 G 8.30 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 11 K 7.28 4.29 0.00 1.70 1.76 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 1.37 1.29 7.81 12 T 8.18 5.27 4.23 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 0.00 0.00 0.00 1.30 0.00 0.00 13 I 9.11 4.63 1.89 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 1.41 1.26 0.99 0.00 0.00 14 T 8.44 4.92 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 1.18 0.00 0.00 15 L 8.58 4.65 0.00 1.66 1.47 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.76 0.00 1.91 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 2.21 2.36 0.00 17 V 8.69 4.72 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 0.68 0.00 0.00 0.85 0.00 0.00 18 E 8.82 4.72 0.00 1.94 1.80 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 2.21 2.27 0.00 19 P 0.00 4.25 0.00 2.16 2.08 0.00 3.57 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 2.09 2.08 0.00 20 S 7.88 4.48 0.00 3.85 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 21 D 7.78 4.32 0.00 2.91 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 22 T 8.31 4.72 4.41 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 1.22 0.00 0.00 23 I 8.63 3.81 2.01 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 1.76 1.02 0.89 0.00 0.00 24 E 8.05 4.04 0.00 1.92 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 2.23 0.00 25 N 7.98 4.54 0.00 3.11 2.88 0.00 0.00 6.60 6.97 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 26 V 7.59 3.58 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 1.04 0.00 0.00 0.97 0.00 0.00 27 K 8.67 4.42 0.00 1.96 1.85 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.54 7.81 28 A 7.87 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.92 0.00 2.01 1.86 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.58 7.81 30 I 7.79 3.82 2.16 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 1.40 0.88 0.91 0.00 0.00 31 Q 8.01 4.39 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 32 D 7.70 4.40 0.00 2.82 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 7.61 4.22 0.00 1.89 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 34 E 8.13 4.63 0.00 2.07 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 2.23 2.36 0.00 35 G 7.66 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.82 3.94 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 1.42 1.27 0.91 0.00 0.00 37 P 0.00 4.52 0.00 2.17 1.97 0.00 3.61 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 2.11 2.11 0.00 38 P 0.00 4.28 0.00 2.17 2.10 0.00 3.60 0.00 0.00 3.87 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 39 Q 8.07 4.22 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 40 Q 8.14 4.62 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 41 Q 7.95 4.73 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 42 R 8.73 4.76 0.00 1.85 1.72 0.00 3.20 0.00 0.00 3.17 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 43 L 8.60 4.94 0.00 1.58 1.53 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.60 4.94 1.89 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 1.25 1.77 0.88 0.00 0.00 45 F 9.46 4.91 0.00 2.98 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 46 A 8.94 3.41 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 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 0.00 0.00 0.00 48 K 8.17 4.54 0.00 1.97 1.75 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.39 7.81 49 Q 8.42 4.77 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 50 L 8.12 4.15 0.00 1.43 1.18 0.76 0.02 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 51 E 9.13 4.36 0.00 2.03 1.92 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 2.48 2.53 0.00 52 D 9.10 4.37 0.00 2.80 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 53 G 8.06 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.89 4.61 0.00 2.16 2.03 0.00 3.19 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.64 0.00 55 T 7.91 4.93 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 56 L 8.31 4.22 0.00 1.93 1.71 0.91 0.87 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 7.83 4.30 0.00 4.04 4.10 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 0.00 0.00 0.00 0.00 58 D 7.80 4.24 0.00 2.65 2.38 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 59 Y 7.42 4.16 0.00 3.06 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 60 N 7.91 4.16 0.00 2.84 2.87 0.00 0.00 7.02 7.48 0.00 0.00 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 8.54 4.19 1.75 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.49 0.52 0.00 0.00 62 Q 8.13 4.64 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 63 K 8.36 4.09 0.00 1.74 1.72 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 E 9.53 3.78 0.00 2.12 2.38 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 2.45 2.36 0.00 65 S 7.68 4.61 0.00 3.80 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 66 T 8.72 5.14 4.39 0.00 0.00 0.00 0.00 0.00 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 67 L 9.22 5.04 0.00 1.60 1.60 0.79 0.87 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 68 H 8.89 4.75 0.00 3.07 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.69 4.69 0.00 1.64 1.77 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.64 4.57 2.20 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 0.89 0.00 0.00 0.95 0.00 0.00 71 L 8.60 4.34 0.00 1.68 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.45 4.54 0.00 1.96 1.82 0.00 3.41 0.00 0.00 3.39 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 73 L 8.10 5.00 0.00 1.66 1.38 0.92 0.79 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 74 R 8.00 4.31 0.00 1.76 1.54 0.00 3.38 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 75 G 8.96 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00