NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4329 8.1627 118.3248 55.2227 33.5580 173.3867 2 Q 4.6732 8.2159 121.0799 53.2302 30.6982 172.8751 3 I 4.6055 9.1820 120.1142 59.0104 42.1949 173.4564 4 F 5.3996 8.6923 120.9814 55.7302 42.1887 174.9850 5 V 4.8445 9.2392 122.3287 61.1627 34.1297 173.9101 6 K 5.1467 9.1633 130.4946 54.9025 34.5003 176.3576 7 T 4.8197 8.7177 117.4819 59.5513 70.3069 175.3511 8 L 3.9159 8.3930 122.7805 58.3407 42.0131 177.7050 9 T 4.1163 7.2876 113.1614 64.0479 68.6760 175.5767 10 G 3.9716 8.2331 110.3145 44.2889 0.0000 173.8422 11 K 3.9877 7.9850 122.0370 57.1915 33.1944 175.2038 12 T 5.0575 8.5320 123.7460 61.9355 70.7606 173.6545 13 I 4.5593 8.8935 127.3219 59.8679 39.8636 174.6032 14 T 5.0623 8.6264 123.3492 62.0420 70.3289 174.0335 15 L 4.8385 8.7569 125.1569 52.9395 45.8030 175.2043 16 E 4.9230 8.6654 121.5029 55.2120 30.7085 175.6784 17 V 4.6981 8.5586 117.0195 59.9707 36.5412 174.2723 18 E 4.7811 9.3546 121.0104 53.7661 32.1985 175.8902 19 P 4.1370 0.0000 0.0000 66.0342 31.1085 178.0538 20 S 4.3732 7.8742 110.6266 59.0043 63.8452 174.1075 21 D 4.4009 8.1052 123.2834 54.8993 41.2874 176.4078 22 T 4.7616 8.2113 113.5314 61.1864 71.3523 175.9952 23 I 3.7235 8.3734 122.7769 64.3116 36.9911 178.2544 24 E 3.9159 8.3610 120.5092 59.6329 29.4150 178.6913 25 N 4.2997 8.2159 116.2529 56.4218 38.5859 177.5914 26 V 3.6040 7.9147 119.5857 65.8911 31.5281 178.3066 27 K 4.3070 8.5031 119.5467 58.8336 31.7680 179.2139 28 A 3.9862 8.2678 121.2791 54.9658 18.2460 179.8498 29 K 3.9339 8.0360 117.2214 59.7086 32.0633 179.6758 30 I 3.7666 7.9337 120.1781 64.1806 36.9989 178.2814 31 Q 4.4009 8.2768 122.1132 58.7553 28.6781 177.9764 32 D 4.3439 8.1778 119.1818 57.3216 40.9716 178.3367 33 K 4.1590 8.0391 118.5771 58.3187 32.4640 177.6393 34 E 4.6052 8.5402 116.2643 55.0852 30.8238 177.0600 35 G 3.8425 8.0410 106.7346 45.6209 0.0000 173.3363 36 I 4.1667 7.3468 121.2994 58.9945 37.8447 173.7437 37 P 4.5539 0.0000 0.0000 61.7691 32.1144 175.7748 38 P 4.2843 0.0000 0.0000 65.7502 31.3710 178.1353 39 D 4.5221 8.0545 115.6419 55.2163 39.5774 176.7416 40 Q 4.2974 8.2403 118.6875 56.4922 29.5795 174.6945 41 Q 4.7683 7.9532 118.6380 54.3764 30.8626 174.7901 42 R 4.6528 9.0886 123.7528 54.5013 32.8344 174.7784 43 L 5.0049 8.4545 124.5676 53.2131 43.9520 175.6421 44 I 5.0289 8.8528 124.9159 59.5704 40.7507 174.4967 45 F 4.9655 8.9172 127.0368 57.3533 43.2868 173.8842 46 A 3.5212 8.6777 126.1499 53.0315 15.9790 178.2373 47 G 3.9512 8.4525 105.2996 46.8906 0.0000 174.3852 48 K 4.6726 7.6440 118.3216 54.0040 35.4698 175.5069 49 Q 4.6014 8.5315 121.4121 56.1037 29.2099 176.0254 50 L 4.1810 8.9116 124.3552 54.2658 43.1862 176.2140 51 E 4.4279 9.2966 122.6679 55.3991 30.5712 177.2669 52 D 4.4677 9.1998 124.4304 57.4915 41.1043 178.9065 53 G 3.6721 7.9592 105.6685 46.9686 0.0000 174.0056 54 R 4.2351 7.8778 119.5043 55.7410 31.3869 175.7621 55 T 4.9036 8.2323 109.9177 59.9923 70.9555 175.9629 56 L 4.0735 8.6365 122.2420 58.3459 42.0892 180.0360 57 S 4.1150 8.2489 114.5220 61.9127 62.8979 176.5998 58 D 4.3322 7.7465 118.1612 57.2858 40.5363 177.2997 59 Y 4.5563 7.3483 112.5569 57.0100 37.9898 175.0442 60 N 4.2408 8.3908 116.1834 54.0499 36.9063 174.2306 61 I 3.6287 7.6970 119.3625 61.0248 37.7434 175.6377 62 Q 4.4516 8.7423 123.4280 54.2755 31.4662 173.9422 63 K 4.1890 8.5105 116.4958 58.8705 32.6527 176.8377 64 E 3.7971 8.8991 120.0884 56.7982 28.3453 175.0323 65 S 4.5451 7.9609 115.8141 59.0062 64.2965 173.1906 66 T 5.1539 8.6938 119.0631 62.0651 70.3681 173.9307 67 L 4.8733 9.0858 127.0008 54.0138 44.2577 175.2031 68 H 5.2890 9.2958 119.6612 54.1224 31.1772 173.2699 69 L 4.9138 9.2189 126.6132 53.7164 43.5871 175.0014 70 V 4.4438 8.6358 127.1097 61.1600 33.7277 174.3976 71 L 5.0514 8.4104 127.4454 53.3651 42.9968 176.8120 72 R 4.1123 8.6473 122.3011 56.3824 30.7049 176.9722 73 L 4.2023 8.4035 121.4294 54.1609 42.4519 177.2932 74 R 3.7708 8.3967 119.4504 58.2097 30.5348 177.1748 75 G 4.0768 8.7428 109.4631 45.9537 0.0000 173.1737 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 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 2 Q 8.22 4.67 0.00 2.26 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 1.73 2.01 0.00 3 I 9.18 4.61 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.80 0.84 0.00 0.00 4 F 8.69 5.40 0.00 3.10 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 5 V 9.24 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 1.04 0.00 0.00 0.93 0.00 0.00 6 K 9.16 5.15 0.00 1.85 1.67 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.54 7.81 7 T 8.72 4.82 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 1.27 0.00 0.00 8 L 8.39 3.92 0.00 1.61 1.75 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.29 4.12 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 8.23 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 7.99 3.99 0.00 1.90 1.72 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.56 7.81 12 T 8.53 5.06 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 13 I 8.89 4.56 2.01 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 1.25 0.93 0.97 0.00 0.00 14 T 8.63 5.06 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 1.18 0.00 0.00 15 L 8.76 4.84 0.00 1.47 1.46 0.90 1.02 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 16 E 8.67 4.92 0.00 1.81 1.85 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 2.19 2.24 0.00 17 V 8.56 4.70 2.12 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 0.63 0.00 0.00 0.92 0.00 0.00 18 E 9.35 4.78 0.00 1.98 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 2.19 2.34 0.00 19 P 0.00 4.14 0.00 2.19 2.31 0.00 3.66 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 2.06 1.96 0.00 20 S 7.87 4.37 0.00 3.99 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 21 D 8.11 4.40 0.00 2.80 2.62 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 22 T 8.21 4.76 4.43 0.00 0.00 0.00 0.00 0.00 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 23 I 8.37 3.72 2.06 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 1.75 0.97 0.89 0.00 0.00 24 E 8.36 3.92 0.00 2.16 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 2.32 2.42 0.00 25 N 8.22 4.30 0.00 2.96 2.85 0.00 0.00 6.72 7.29 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 26 V 7.91 3.60 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 1.00 0.00 0.00 0.95 0.00 0.00 27 K 8.50 4.31 0.00 1.98 1.84 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.47 7.81 28 A 8.27 3.99 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 29 K 8.04 3.93 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.69 7.81 30 I 7.93 3.77 2.13 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 1.41 0.70 0.91 0.00 0.00 31 Q 8.28 4.40 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.18 4.34 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.16 0.00 1.76 1.91 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 34 E 8.54 4.61 0.00 2.02 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 2.25 2.43 0.00 35 G 8.04 3.84 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 0.00 0.00 0.00 36 I 7.35 4.17 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 1.03 0.91 0.00 0.00 37 P 0.00 4.55 0.00 2.33 1.97 0.00 3.62 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 2.20 0.00 3.60 0.00 0.00 3.90 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 8.05 4.52 0.00 2.76 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 40 Q 8.24 4.30 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 41 Q 7.95 4.77 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 42 R 9.09 4.65 0.00 1.87 1.83 0.00 3.16 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.45 5.00 0.00 1.56 1.55 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.85 5.03 1.92 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 0.95 0.97 0.00 0.00 45 F 8.92 4.97 0.00 3.05 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 3.52 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 47 G 8.45 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 0.00 0.00 0.00 48 K 7.64 4.67 0.00 1.81 1.69 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.55 7.81 49 Q 8.53 4.60 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 50 L 8.91 4.18 0.00 1.33 1.20 0.69 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.30 4.43 0.00 2.08 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 2.35 2.38 0.00 52 D 9.20 4.47 0.00 2.76 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 7.96 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.88 4.24 0.00 2.06 1.76 0.00 2.90 0.00 0.00 2.71 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 55 T 8.23 4.90 4.46 0.00 0.00 0.00 0.00 0.00 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 8.64 4.07 0.00 1.87 1.70 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.25 4.11 0.00 3.86 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 58 D 7.75 4.33 0.00 2.56 2.34 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 59 Y 7.35 4.56 0.00 3.07 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 60 N 8.39 4.24 0.00 2.94 2.96 0.00 0.00 6.94 7.22 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 61 I 7.70 3.63 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 -0.26 0.64 0.00 0.00 62 Q 8.74 4.45 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 63 K 8.51 4.19 0.00 1.84 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.48 7.81 64 E 8.90 3.80 0.00 2.22 2.34 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 2.26 2.50 0.00 65 S 7.96 4.55 0.00 3.80 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 66 T 8.69 5.15 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 1.16 0.00 0.00 67 L 9.09 4.87 0.00 1.61 1.59 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.30 5.29 0.00 3.05 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.22 4.91 0.00 1.73 1.56 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.64 4.44 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 0.98 0.00 0.00 0.94 0.00 0.00 71 L 8.41 5.05 0.00 1.55 1.57 0.93 0.96 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 72 R 8.65 4.11 0.00 1.68 1.88 0.00 3.33 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 73 L 8.40 4.20 0.00 1.63 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.40 3.77 0.00 1.79 1.90 0.00 3.25 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 75 G 8.74 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00