NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.3210 8.3449 118.8248 56.1759 29.2219 173.8551 13 R 3.9980 8.2344 125.0024 56.0173 31.5471 176.0774 14 P 4.0786 0.0000 0.0000 65.3861 32.9028 178.0110 15 L 3.8289 8.0973 118.0400 57.8813 41.3500 178.9492 16 D 4.4601 8.2720 117.3921 56.5665 41.1011 178.3916 17 A 4.1746 7.9990 122.0682 54.7998 18.6753 179.2556 18 L 3.8092 7.8363 117.8804 57.9715 41.5181 179.9140 19 G 4.0720 8.1742 104.8939 48.1195 0.0000 174.6382 20 N 4.6888 7.9489 114.5776 53.9205 38.5771 175.6175 21 S 4.7012 8.3541 115.9846 57.4430 64.7354 173.9639 22 L 4.1705 7.7231 120.8874 56.7241 41.7502 177.0361 23 N 4.3514 9.3422 118.4649 53.9679 37.0539 174.0986 24 S 5.0258 8.0216 115.1689 55.7800 66.3853 171.6439 25 P 4.9311 0.0000 0.0000 63.1336 32.2933 175.7046 26 V 5.0361 9.0881 117.1319 59.4281 36.4705 174.3535 27 I 4.9292 8.8682 122.5714 59.8072 40.0658 174.8167 28 I 4.6200 8.9387 128.6396 59.3804 39.6589 174.4461 29 K 4.5684 8.3927 128.4978 54.6500 33.4436 175.3026 30 L 5.0428 8.8541 127.5223 52.5978 44.5797 176.3976 31 K 3.9090 8.6455 121.0327 58.1785 31.5962 177.9276 32 G 3.8438 8.6850 110.0679 45.1050 0.0000 173.5404 33 D 4.2791 7.4725 115.6999 55.0254 39.0608 173.4877 34 R 4.4891 7.2266 116.3274 55.4694 31.8128 174.7232 35 E 5.2853 8.4117 125.0597 54.5469 33.4985 174.3236 36 F 5.2148 9.6093 122.7667 55.9497 43.7623 174.1564 37 R 5.0981 8.4066 119.1441 54.7806 34.8167 174.9022 38 G 4.1295 8.2357 108.8333 46.3280 0.0000 171.5433 39 V 4.6884 8.0935 120.6164 61.2203 32.9352 175.1132 40 L 4.6027 8.8493 131.3133 55.4504 42.4117 177.1359 41 K 4.7480 8.7559 125.1486 56.5100 34.6296 175.9773 42 S 4.5786 7.8750 112.7067 58.1453 65.5332 174.8615 43 F 5.7695 7.9357 114.4168 57.4341 40.5601 171.9776 44 D 5.0582 8.4631 117.8989 51.1695 42.4269 176.1871 45 L 3.9706 8.5632 117.8960 58.5121 41.5624 178.2709 46 H 4.4577 8.5054 113.4937 56.1323 28.3408 175.7241 47 M 3.4040 8.4411 119.0115 56.3721 30.0423 176.2844 48 N 4.9798 8.2793 115.5219 53.4854 40.3412 174.0085 49 L 4.9490 8.9937 120.5276 55.0491 44.6249 173.8174 50 V 4.8166 8.5875 120.0088 61.1731 34.0364 174.2213 51 L 5.2963 9.3300 127.6840 53.1301 44.7682 175.3564 52 N 5.0318 9.3185 120.6560 51.8778 41.3465 174.4900 53 D 4.4339 8.5752 118.1633 55.3740 38.8962 173.7555 54 A 5.3330 8.9375 120.5686 51.5669 20.6692 177.4818 55 E 5.0551 8.2209 114.0109 55.4948 32.6827 174.9070 56 E 3.6434 9.1811 123.0517 56.0408 30.6951 175.7178 57 L 5.1725 8.4096 121.0558 53.1927 46.8203 175.7634 58 E 4.6378 8.4687 120.3406 55.9232 32.7459 175.6264 59 D 4.3505 10.0584 122.7468 55.2770 38.5433 174.5913 60 G 3.9092 8.8630 104.6842 45.1970 0.0000 173.3418 61 E 4.4999 8.0740 120.3915 53.5004 32.0288 175.0878 62 V 3.9527 8.4833 125.4941 64.1151 31.7918 175.2702 63 T 4.7005 8.3368 114.9808 61.2009 70.7640 174.1795 64 R 4.3425 7.4341 114.9019 55.5567 32.2060 173.4912 65 R 4.6316 8.8162 122.5718 55.0038 31.1514 176.0565 66 L 4.5921 8.6464 122.8212 52.3021 43.1519 178.3181 67 G 3.7626 8.2189 110.7083 47.2380 0.0000 176.1754 68 T 5.0174 8.6481 120.6783 62.7163 69.1087 173.1352 69 V 4.5454 9.1988 125.0181 60.1268 35.4567 173.2837 70 L 4.9993 8.4941 124.6563 53.6359 43.6979 175.1835 71 I 4.3777 8.8751 127.7471 59.3220 39.6643 175.4895 72 R 4.3252 8.5041 126.5197 55.5741 30.8115 177.9102 73 G 3.8862 8.7726 111.2568 47.3860 0.0000 174.7067 74 D 4.2891 8.2212 118.4979 57.2393 41.2331 176.8036 75 N 4.6420 7.9331 114.3652 53.5570 39.1053 174.8957 76 I 4.3421 7.6512 120.5670 61.1125 38.0855 175.4408 77 V 4.2869 8.7155 124.8371 64.5898 32.8031 174.9826 78 Y 4.9889 7.1029 115.8390 56.2358 41.4610 173.2016 79 I 5.4088 8.4590 119.7619 59.8196 41.1035 174.8309 80 S 4.8455 9.2579 120.3905 56.1928 67.1174 172.9150 81 R 4.3974 8.6050 120.1966 56.4832 30.6724 175.3780 82 G 4.3913 8.7576 111.3085 44.8222 0.0000 171.4561 83 K 4.8336 8.3997 116.9733 54.4682 36.1033 176.2799 84 L 4.3414 8.2745 120.4056 54.0607 42.7899 177.0913 85 A 4.2191 8.3999 122.9715 52.5434 18.6694 177.5256 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 12 Q 8.34 4.32 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 13 R 8.23 4.00 0.00 1.98 1.88 0.00 3.16 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 14 P 0.00 4.08 0.00 2.17 2.03 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 15 L 8.10 3.83 0.00 1.74 1.73 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.27 4.46 0.00 2.86 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 17 A 8.00 4.17 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 18 L 7.84 3.81 0.00 0.67 0.32 0.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.17 4.07 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 0.00 20 N 7.95 4.69 0.00 2.86 2.88 0.00 0.00 6.86 7.04 0.00 0.00 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 S 8.35 4.70 0.00 3.95 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 22 L 7.72 4.17 0.00 1.79 1.68 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.34 4.35 0.00 2.86 2.96 0.00 0.00 6.88 7.93 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 24 S 8.02 5.03 0.00 3.93 3.76 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 25 P 0.00 4.93 0.00 2.13 2.21 0.00 3.65 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 2.23 2.01 0.00 26 V 9.09 5.04 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 1.05 0.00 0.00 1.01 0.00 0.00 27 I 8.87 4.93 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 1.04 0.00 0.00 28 I 8.94 4.62 1.93 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 1.18 0.98 0.84 0.00 0.00 29 K 8.39 4.57 0.00 0.79 0.74 0.00 1.45 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.07 0.99 7.81 30 L 8.85 5.04 0.00 1.71 1.53 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.65 3.91 0.00 1.69 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.58 7.81 32 G 8.68 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 33 D 7.47 4.28 0.00 2.88 2.79 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 0.00 0.00 0.00 34 R 7.23 4.49 0.00 1.93 1.86 0.00 3.32 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 35 E 8.41 5.29 0.00 1.93 1.67 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 2.18 2.43 0.00 36 F 9.61 5.21 0.00 2.94 2.93 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 0.00 0.00 0.00 37 R 8.41 5.10 0.00 1.66 1.78 0.00 3.18 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 38 G 8.24 4.13 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 0.00 0.00 0.00 39 V 8.09 4.69 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 0.83 0.00 0.00 0.95 0.00 0.00 40 L 8.85 4.60 0.00 1.88 1.59 1.15 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.76 4.75 0.00 1.63 1.81 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.67 7.81 42 S 7.88 4.58 0.00 3.70 3.83 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 0.00 0.00 0.00 43 F 7.94 5.77 0.00 3.09 3.06 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 0.00 0.00 0.00 0.00 44 D 8.46 5.06 0.00 2.90 2.82 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 45 L 8.56 3.97 0.00 1.48 1.73 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.51 4.46 0.00 3.60 3.34 0.00 5.93 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.44 3.40 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 48 N 8.28 4.98 0.00 2.94 2.74 0.00 0.00 6.55 6.74 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 49 L 8.99 4.95 0.00 1.92 1.85 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.59 4.82 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 1.05 0.00 0.00 0.93 0.00 0.00 51 L 9.33 5.30 0.00 1.60 1.56 0.99 0.81 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 52 N 9.32 5.03 0.00 2.68 2.73 0.00 0.00 6.92 8.10 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 53 D 8.58 4.43 0.00 2.79 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 54 A 8.94 5.33 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 55 E 8.22 5.06 0.00 2.04 1.99 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 2.38 2.25 0.00 56 E 9.18 3.64 0.00 1.63 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 57 L 8.41 5.17 0.00 1.48 1.42 0.85 0.73 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 58 E 8.47 4.64 0.00 1.95 1.76 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 2.17 2.19 0.00 59 D 10.06 4.35 0.00 2.79 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 60 G 8.86 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 0.00 0.00 0.00 61 E 8.07 4.50 0.00 1.99 1.74 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 2.17 2.23 0.00 62 V 8.48 3.95 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 0.89 0.00 0.00 0.90 0.00 0.00 63 T 8.34 4.70 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 64 R 7.43 4.34 0.00 1.82 1.98 0.00 2.92 0.00 0.00 3.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 65 R 8.82 4.63 0.00 1.71 1.91 0.00 3.15 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 66 L 8.65 4.59 0.00 1.61 1.73 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.22 3.76 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 0.00 0.00 0.00 68 T 8.65 5.02 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 69 V 9.20 4.55 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 0.82 0.00 0.00 0.90 0.00 0.00 70 L 8.49 5.00 0.00 1.62 1.57 0.96 0.98 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 71 I 8.88 4.38 1.74 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.36 0.67 0.00 0.00 72 R 8.50 4.33 0.00 1.83 1.82 0.00 3.11 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 73 G 8.77 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 0.00 0.00 0.00 74 D 8.22 4.29 0.00 2.63 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 75 N 7.93 4.64 0.00 2.75 2.79 0.00 0.00 6.96 7.64 0.00 0.00 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 I 7.65 4.34 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.94 0.00 0.00 77 V 8.72 4.29 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 0.87 0.00 0.00 0.88 0.00 0.00 78 Y 7.10 4.99 0.00 2.99 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 79 I 8.46 5.41 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.97 0.00 0.00 80 S 9.26 4.85 0.00 3.83 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 0.00 81 R 8.60 4.40 0.00 1.83 1.87 0.00 3.23 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 82 G 8.76 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 0.00 0.00 0.00 0.00 83 K 8.40 4.83 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.44 7.81 84 L 8.27 4.34 0.00 1.64 1.60 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.40 4.22 1.23 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 0.00 0.00 0.00