NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2737 8.2033 121.7112 55.8154 29.8871 176.1339 6 T 3.7563 8.7985 109.6202 65.9340 68.3628 174.0887 7 W 3.8322 8.1914 129.6925 60.4958 31.1566 177.3145 8 E 3.5513 8.0947 117.3875 58.9209 29.3425 178.0874 9 E 3.8997 9.6752 119.3996 59.1459 29.8565 178.0096 10 F 3.9604 8.1727 121.3562 61.5760 39.3219 177.1198 11 S 2.7900 7.0927 113.5622 61.1949 62.3736 176.2025 12 R 3.6481 7.4164 119.1907 59.1205 28.9946 178.1914 13 A 3.8659 7.8280 121.2826 54.4032 18.1807 179.3461 14 A 3.8316 7.5037 118.7039 55.3659 18.7423 179.4883 15 E 4.1455 8.6037 116.0475 58.0150 29.3774 179.1781 16 K 4.0936 7.7853 120.7005 59.1634 32.1550 178.6447 17 L 3.9693 7.7372 119.0888 57.8806 41.3433 178.7127 18 Y 4.0247 8.3686 119.8571 60.7203 38.4591 178.3212 19 L 3.8868 7.4862 117.4680 57.4646 41.9007 178.4956 20 A 4.2994 7.6646 119.9867 54.4253 19.2498 177.2592 21 D 4.2835 7.3799 113.3149 53.2403 42.9441 173.8687 22 P 4.0320 0.0000 0.0000 62.5688 31.1381 177.0584 23 M 4.5028 7.7431 117.6422 55.4548 33.4893 176.0598 24 K 4.3472 7.8159 114.8943 56.5775 33.9512 176.0128 25 A 4.8216 7.6836 121.0196 50.8484 21.0168 175.3314 26 R 4.9268 8.5452 115.3564 55.0216 33.8146 174.5092 27 V 4.7086 8.1700 117.9211 60.2794 33.6366 175.7048 28 V 4.1930 8.9084 119.6359 60.7016 33.7511 175.9565 29 L 4.8473 8.2827 124.6403 54.3940 43.5211 174.8298 30 K 4.3891 9.3966 130.1502 55.1158 33.3126 174.3834 31 Y 4.6791 8.5684 129.9094 56.3434 39.8211 175.4066 32 R 4.1936 7.8684 128.7888 53.8225 29.2662 175.1484 33 H 3.4834 7.6708 123.8405 58.4682 30.4582 176.4188 34 S 4.0480 7.9257 108.9664 61.3864 62.1007 174.4265 35 D 4.2769 8.6696 125.2195 54.9559 41.6199 175.8760 36 G 3.6895 7.9536 109.4109 44.1286 0.0000 171.9275 37 N 4.5739 7.1649 117.7105 52.3802 40.4900 173.9590 38 L 5.0215 8.1349 122.9587 54.0679 45.7349 175.0678 39 C 4.6811 8.2580 121.9152 58.8598 34.9368 172.6073 40 V 5.0074 8.8473 127.3854 61.4745 33.7895 174.4770 41 K 5.3033 9.1744 127.0714 55.1232 35.8029 174.7542 42 V 4.9150 9.1876 126.5451 61.5744 34.4459 174.1255 43 T 4.9681 8.7980 121.2932 59.0213 71.9380 173.1174 44 D 4.7867 8.0504 119.5685 53.5899 42.2473 175.0022 45 D 4.5164 8.1523 113.5788 54.4988 38.9632 175.0449 46 L 4.4574 7.2494 112.3926 55.4843 44.7068 176.4525 47 V 4.1860 7.2372 108.4590 61.2426 33.3253 170.2471 48 C 4.7469 8.5325 121.7668 58.8459 27.9818 171.9106 49 L 4.9114 8.5575 123.6244 52.9472 43.0527 175.9934 50 V 5.1595 8.5426 123.0633 59.9906 34.8642 174.4383 51 Y 4.5871 9.2062 123.4534 55.9109 41.4719 174.0713 52 K 4.7674 8.2361 125.4183 55.1455 35.0300 175.5464 53 T 4.6226 8.1456 118.2738 62.4728 72.9017 174.3036 54 D 4.6176 8.4476 119.3653 53.3670 41.2463 176.3649 55 Q 4.1083 7.8228 118.2668 55.5849 29.5783 176.9564 56 A 3.9481 8.5303 122.7316 55.0717 18.4147 180.0187 57 Q 4.0491 8.0283 114.4261 58.7890 28.6141 177.6240 58 D 4.3886 7.5162 119.9435 55.2485 40.9974 178.4237 59 V 3.5258 7.5499 119.6695 65.8988 31.6181 177.2782 60 K 3.8602 8.0394 118.8899 59.8284 31.9029 178.1803 61 K 4.1082 7.8999 118.1183 60.1446 32.3228 178.8633 62 I 3.8723 7.2558 121.0817 64.0778 36.9317 178.2413 63 E 4.0727 8.6201 118.9214 59.4125 29.3662 179.4173 64 K 4.0480 8.3777 119.5278 59.1929 32.0841 179.1335 65 F 4.4774 8.8939 121.0391 61.2418 39.2359 176.6661 66 H 4.0294 8.0514 118.2540 59.2184 29.6188 177.0391 67 S 4.0073 8.1685 116.2335 61.9896 62.9840 176.4379 68 Q 3.9569 8.4923 122.3295 58.9670 28.9100 177.9459 69 L 3.4525 7.4118 119.5333 58.1204 41.6493 179.5878 70 M 3.9774 7.7325 117.7487 58.7336 32.2160 178.5600 71 R 3.9335 8.1964 118.5066 59.1003 29.9492 178.8145 72 L 4.1706 7.1969 116.1878 57.1385 41.7354 178.5591 73 M 4.7799 7.7083 119.1209 56.1770 32.2227 177.5609 74 V 4.1617 7.4415 115.4239 62.7701 32.6547 175.0623 75 A 4.1623 7.8981 125.7392 52.9003 18.1939 177.0125 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 5 Q 8.20 4.27 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 6 T 8.80 3.76 4.33 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 0.00 0.00 0.00 1.32 0.00 0.00 7 W 8.19 3.83 0.00 3.05 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 8 E 8.09 3.55 0.00 1.99 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 0.00 2.16 2.31 0.00 9 E 9.68 3.90 0.00 2.14 1.88 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 2.29 2.32 0.00 10 F 8.17 3.96 0.00 2.97 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 11 S 7.09 2.79 0.00 3.28 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 12 R 7.42 3.65 0.00 1.96 2.09 0.00 2.90 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 13 A 7.83 3.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.50 3.83 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.60 4.15 0.00 2.06 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 0.00 2.43 2.59 0.00 16 K 7.79 4.09 0.00 1.91 1.99 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 17 L 7.74 3.97 0.00 2.00 1.73 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.37 4.02 0.00 3.06 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 19 L 7.49 3.89 0.00 1.85 1.69 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.66 4.30 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.28 0.00 2.56 2.44 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 22 P 0.00 4.03 0.00 1.66 1.14 0.00 3.20 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 23 M 7.74 4.50 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 24 K 7.82 4.35 0.00 1.77 1.91 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.62 7.81 25 A 7.68 4.82 1.27 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 0.00 0.00 0.00 0.00 0.00 26 R 8.55 4.93 0.00 1.90 2.04 0.00 2.77 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 27 V 8.17 4.71 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 0.75 0.00 0.00 1.10 0.00 0.00 28 V 8.91 4.19 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 0.77 0.00 0.00 1.09 0.00 0.00 29 L 8.28 4.85 0.00 1.61 1.54 1.07 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 30 K 9.40 4.39 0.00 1.87 1.72 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.37 7.81 31 Y 8.57 4.68 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 4.19 0.00 1.80 1.72 0.00 3.28 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 33 H 7.67 3.48 0.00 3.04 3.17 0.00 5.75 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 34 S 7.93 4.05 0.00 3.97 3.74 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 35 D 8.67 4.28 0.00 2.58 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 36 G 7.95 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.16 4.57 0.00 2.83 2.78 0.00 0.00 5.60 6.67 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 38 L 8.13 5.02 0.00 1.87 1.50 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.26 4.68 0.00 2.95 2.88 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 40 V 8.85 5.01 2.59 0.00 0.00 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 1.23 0.00 0.00 41 K 9.17 5.30 0.00 1.96 1.69 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.59 7.81 42 V 9.19 4.92 2.21 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 1.02 0.00 0.00 1.18 0.00 0.00 43 T 8.80 4.97 4.31 0.00 0.00 0.00 0.00 0.00 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 44 D 8.05 4.79 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 4.52 0.00 2.88 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 L 7.25 4.46 0.00 1.80 1.61 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.24 4.19 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 0.71 0.00 0.00 0.95 0.00 0.00 48 C 8.53 4.75 0.00 2.90 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 49 L 8.56 4.91 0.00 1.96 1.91 0.92 0.76 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 50 V 8.54 5.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.98 0.00 0.00 51 Y 9.21 4.59 0.00 1.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.24 4.77 0.00 1.45 1.50 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.32 7.81 53 T 8.15 4.62 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 1.22 0.00 0.00 54 D 8.45 4.62 0.00 2.66 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 55 Q 7.82 4.11 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 56 A 8.53 3.95 1.29 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 0.00 0.00 0.00 57 Q 8.03 4.05 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 58 D 7.52 4.39 0.00 2.43 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.53 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 1.02 0.00 0.00 0.89 0.00 0.00 60 K 8.04 3.86 0.00 1.83 1.80 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.55 7.81 61 K 7.90 4.11 0.00 2.21 2.12 0.00 1.12 0.00 0.00 1.00 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 0.58 7.81 62 I 7.26 3.87 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.23 1.03 0.00 0.00 63 E 8.62 4.07 0.00 2.23 2.36 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 2.30 2.66 0.00 64 K 8.38 4.05 0.00 2.16 2.01 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.80 7.81 65 F 8.89 4.48 0.00 3.52 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.05 4.03 0.00 3.40 3.51 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.17 4.01 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.49 3.96 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 69 L 7.41 3.45 0.00 1.39 1.27 -0.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 70 M 7.73 3.98 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 71 R 8.20 3.93 0.00 1.91 1.92 0.00 3.15 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 72 L 7.20 4.17 0.00 1.24 1.84 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 M 7.71 4.78 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.71 0.00 74 V 7.44 4.16 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 0.87 0.00 0.00 0.92 0.00 0.00 75 A 7.90 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00