NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5140 8.3049 118.7951 53.6497 32.9722 176.5409 2 L 4.7057 8.5977 115.4845 52.6384 45.1237 176.1246 3 Q 4.0429 8.8794 121.7126 58.3613 29.8648 179.0950 4 K 4.3576 8.4348 121.2707 58.8009 32.6136 178.0707 5 K 3.7903 7.9765 120.6876 59.1564 31.8976 177.8018 6 I 3.6736 7.9327 119.1089 65.0438 36.9398 177.7576 7 E 3.9756 8.1120 118.1907 59.5083 28.9652 178.7103 8 E 3.9115 9.0151 120.4864 59.6769 29.6344 179.2455 9 I 3.8359 7.9922 119.3747 64.2763 37.4585 178.2265 10 A 4.3615 8.0843 121.2445 54.5457 18.0944 179.3489 11 A 3.9367 8.5880 120.2399 56.0049 18.2559 180.1537 12 K 3.6819 7.0461 115.7966 59.4238 32.5150 176.6299 13 Y 4.4104 7.3910 113.9142 58.3949 38.5021 175.6905 14 K 4.1616 8.6635 121.3379 56.9780 32.7729 176.3744 15 H 4.1599 8.7703 120.3323 56.6089 26.4016 177.0386 16 S 4.0323 8.3261 117.5990 62.0006 62.5488 176.6436 17 V 3.7486 7.5715 119.6490 64.7842 31.2467 178.0335 18 V 3.8044 7.5053 116.9308 66.3517 31.6265 177.8398 19 K 3.8282 8.1638 116.8954 60.2915 32.2508 179.0825 20 K 4.1447 8.4727 117.7891 59.9023 32.2105 178.8893 21 C 4.3737 9.2380 117.9459 60.2074 41.1363 175.8857 22 C 4.1543 8.4571 120.2361 59.7103 43.1650 174.4453 23 Y 3.9446 7.8567 121.1223 61.0977 38.0878 177.8992 24 D 4.6148 8.4799 117.6953 57.6015 41.3362 178.5185 25 G 2.2471 7.8362 105.1792 47.1824 0.0000 175.3734 26 A 3.8162 7.5457 121.8571 53.8431 18.8310 177.8708 27 C 3.4161 7.1873 113.4128 59.9629 28.5789 174.4773 28 V 3.4720 8.0299 123.8326 63.6696 31.5095 175.1924 29 N 4.3467 8.2377 119.4671 53.7315 40.1640 173.7119 30 N 4.8245 8.7526 122.7607 53.3299 39.4955 175.8590 31 D 4.5958 7.8515 117.8015 55.8796 41.3696 176.4449 32 E 4.9043 7.7060 117.1796 53.6486 33.7610 175.8533 33 T 4.2284 8.8556 113.4208 61.3236 71.0970 175.1294 34 C 4.2710 8.8096 119.8528 60.5863 36.0265 176.0287 35 E 3.9285 8.3171 119.3576 59.8393 28.8392 179.4887 36 Q 3.9631 7.6091 115.6630 59.2008 29.1923 178.8922 37 R 4.0346 7.9302 118.3236 59.4139 30.0364 179.1050 38 A 3.6493 8.7181 120.1228 54.5014 18.0706 179.4461 39 A 3.9116 7.5899 118.9423 55.1739 18.4904 179.4405 40 R 4.0236 7.5429 114.7345 57.0350 30.7009 177.3918 41 I 3.7726 6.6945 120.3687 61.4564 37.5256 175.8448 42 S 4.6955 8.5190 116.7799 58.0810 63.3179 174.2233 43 L 4.5004 7.9217 117.8052 54.2026 42.4460 175.8905 44 G 4.0285 7.2040 109.9236 44.6734 0.0000 172.8228 45 P 3.7012 0.0000 0.0000 64.1668 32.3122 178.8676 46 R 3.7543 7.4451 116.7192 59.6743 30.7570 178.7856 47 C 4.2304 8.2266 117.4945 60.1939 42.8329 175.3424 48 I 3.7998 7.5403 120.4363 64.9943 36.6279 177.8462 49 K 3.8103 9.2925 118.5804 60.5119 31.9975 179.3419 50 A 3.7383 8.5810 118.5660 54.8897 18.7333 178.9402 51 F 4.6854 9.3173 119.8648 61.5618 39.5772 177.5499 52 T 3.9534 8.7230 115.0874 66.7439 68.1707 175.7917 53 E 3.7945 8.6986 120.3295 60.0583 29.7744 178.7392 54 C 4.1076 8.0836 115.5369 60.5724 39.7310 174.9859 55 C 4.5485 7.8599 120.8874 59.0313 42.2076 175.4516 56 V 3.5114 8.0518 119.2511 66.5211 31.1599 177.9595 57 V 3.4631 8.1232 117.5190 66.0100 31.2539 177.3378 58 A 3.8987 8.2297 120.0412 55.6145 18.0422 179.3886 59 S 4.0038 7.9900 112.1262 62.2871 63.4451 176.9596 60 Q 4.1205 8.0650 120.0988 59.1280 28.1879 179.1958 61 L 4.0583 7.8405 119.1635 57.5613 41.7084 179.3117 62 R 4.0003 8.2843 117.5089 58.7236 29.9756 176.5232 63 A 4.1531 7.6084 125.4062 52.3213 18.3875 176.9524 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 8.30 4.51 0.00 2.05 1.76 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 L 8.60 4.71 0.00 1.75 1.56 0.92 0.58 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 3 Q 8.88 4.04 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 4 K 8.43 4.36 0.00 1.78 1.78 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 5 K 7.98 3.79 0.00 1.86 1.94 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 6 I 7.93 3.67 1.98 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 0.56 0.93 0.00 0.00 7 E 8.11 3.98 0.00 2.15 2.02 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 2.41 2.38 0.00 8 E 9.02 3.91 0.00 2.05 2.16 0.00 0.00 0.00 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 2.38 0.00 9 I 7.99 3.84 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.00 1.09 0.00 0.00 10 A 8.08 4.36 1.39 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 0.00 0.00 0.00 11 A 8.59 3.94 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 12 K 7.05 3.68 0.00 1.66 1.55 0.00 1.56 0.00 0.00 0.84 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.95 1.21 7.81 13 Y 7.39 4.41 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 4.16 0.00 1.74 1.69 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.68 7.81 15 H 8.77 4.16 0.00 3.37 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.33 4.03 0.00 3.91 3.96 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 0.00 0.00 0.00 17 V 7.57 3.75 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 1.07 0.00 0.00 0.96 0.00 0.00 18 V 7.51 3.80 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 1.02 0.00 0.00 1.01 0.00 0.00 19 K 8.16 3.83 0.00 1.92 1.86 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.65 7.81 20 K 8.47 4.14 0.00 1.93 1.90 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.61 7.81 21 C 9.24 4.37 0.00 3.08 3.50 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 0.00 22 C 8.46 4.15 0.00 3.10 3.30 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 23 Y 7.86 3.94 0.00 3.07 3.05 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 24 D 8.48 4.61 0.00 3.06 3.05 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 25 G 7.84 2.25 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 0.00 0.00 0.00 0.00 26 A 7.55 3.82 1.07 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 0.00 0.00 27 C 7.19 3.42 0.00 2.96 2.89 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 28 V 8.03 3.47 2.06 0.00 0.00 0.00 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 0.89 0.00 0.00 29 N 8.24 4.35 0.00 2.67 2.68 0.00 0.00 6.95 7.79 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 30 N 8.75 4.82 0.00 2.74 2.82 0.00 0.00 7.21 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.85 4.60 0.00 2.69 2.73 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 32 E 7.71 4.90 0.00 1.92 1.87 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 2.30 2.29 0.00 33 T 8.86 4.23 4.35 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 1.22 0.00 0.00 34 C 8.81 4.27 0.00 3.04 3.30 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 35 E 8.32 3.93 0.00 2.06 2.05 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 2.43 2.53 0.00 36 Q 7.61 3.96 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 37 R 7.93 4.03 0.00 2.18 2.07 0.00 3.36 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 38 A 8.72 3.65 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.59 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.02 0.00 1.84 1.94 0.00 3.14 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 41 I 6.69 3.77 1.85 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.01 0.83 0.00 0.00 42 S 8.52 4.70 0.00 3.90 3.86 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 43 L 7.92 4.50 0.00 1.62 1.69 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.20 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 45 P 0.00 3.70 0.00 2.22 1.97 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 46 R 7.45 3.75 0.00 1.90 1.89 0.00 3.23 0.00 0.00 3.29 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 47 C 8.23 4.23 0.00 3.06 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.80 1.94 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 1.48 0.62 0.92 0.00 0.00 49 K 9.29 3.81 0.00 1.79 1.85 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.65 7.81 50 A 8.58 3.74 1.49 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 0.00 0.00 51 F 9.32 4.69 0.00 3.26 3.34 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 52 T 8.72 3.95 4.48 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 0.00 0.00 0.00 1.27 0.00 0.00 53 E 8.70 3.79 0.00 2.02 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 0.00 2.30 2.39 0.00 54 C 8.08 4.11 0.00 2.97 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.86 4.55 0.00 2.65 3.08 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 56 V 8.05 3.51 2.18 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 0.92 0.00 0.00 0.93 0.00 0.00 57 V 8.12 3.46 2.16 0.00 0.00 0.00 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 0.93 0.00 0.00 58 A 8.23 3.90 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 59 S 7.99 4.00 0.00 3.97 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 60 Q 8.07 4.12 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 61 L 7.84 4.06 0.00 1.74 1.70 0.89 0.77 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 62 R 8.28 4.00 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 63 A 7.61 4.15 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