NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3025 8.2493 123.5827 52.3975 19.5229 176.0141 3 K 3.9211 8.2684 120.9154 57.2306 34.9868 171.3660 4 H 3.8421 9.2504 113.7449 59.6668 29.9894 174.8322 5 P 4.7102 0.0000 0.0000 62.2150 32.9240 175.9237 6 V 4.4396 7.6932 118.2556 60.9238 34.3360 171.8570 7 P 4.4032 0.0000 0.0000 62.4878 31.9736 176.2184 8 K 4.0607 8.7798 124.0474 58.9022 32.5158 176.6787 9 K 4.6532 7.5194 116.3474 53.6155 34.9791 176.0282 10 K 3.9150 8.6042 123.3652 56.6551 32.5313 176.6345 11 T 4.0002 8.3929 117.0223 61.4626 69.4258 175.0153 12 S 4.4253 8.4438 120.6206 57.7030 65.5130 175.1741 13 K 3.5095 8.6764 121.6343 59.6052 31.5921 179.5128 14 A 3.9337 7.8296 120.4826 55.2504 18.3300 179.5462 15 R 3.8391 7.3363 114.7623 59.2647 30.4533 178.1900 16 R 4.0287 8.8126 119.5323 59.8124 29.9987 178.2370 17 D 4.3350 7.9630 117.7053 57.3148 40.6330 178.6754 18 A 3.9541 7.6311 119.6694 54.6390 18.3711 178.9788 19 R 4.1320 7.5165 115.5921 58.0565 30.5368 176.9867 20 R 3.8932 7.8002 117.4341 55.9332 30.0967 178.2102 21 S 4.3704 7.9695 113.9975 60.7735 62.9011 174.6224 22 H 4.8621 8.0173 115.9705 55.9787 29.0969 174.1627 23 H 4.5073 8.5668 116.8181 56.1560 28.9940 175.1779 24 A 3.9396 8.0335 122.5997 52.2827 18.1708 177.4462 25 L 4.1608 8.4266 122.5142 55.3969 42.3813 176.6967 26 T 4.5010 8.0552 114.2270 59.3468 69.2681 171.9704 27 P 4.2884 0.0000 0.0000 62.1444 31.9000 174.6066 28 P 4.3272 0.0000 0.0000 63.0741 31.8054 175.9001 29 T 4.4400 8.2668 110.4831 60.6701 69.5087 173.5345 30 L 5.0274 8.3497 125.3428 53.1066 45.6306 176.1770 31 V 4.5384 9.0496 112.1727 59.3386 36.4760 172.7942 32 P 4.5709 0.0000 0.0000 62.7800 31.8311 175.8380 33 C 4.2921 9.3562 126.5153 58.3285 31.1687 171.2741 34 P 4.1430 0.0000 0.0000 64.1229 31.4324 174.8541 35 E 3.3655 8.6888 121.2575 54.6604 25.4401 172.4979 36 C 3.9354 8.4038 113.3903 58.0358 29.2158 175.3798 37 K 3.7500 8.7668 124.2456 59.0825 32.2285 176.6421 38 A 4.0590 7.4095 121.3293 52.6267 19.6626 176.1792 39 M 4.7788 8.5045 119.5892 53.8324 33.4671 175.7696 40 K 4.8631 8.6648 122.1405 54.2634 36.9333 173.5466 41 P 5.0408 0.0000 0.0000 61.2784 33.0914 173.6020 42 P 4.1941 0.0000 0.0000 64.5273 31.6036 175.5718 43 H 4.1622 8.8594 118.9131 57.3626 25.3837 174.4209 44 T 4.7647 7.2637 115.4171 62.1105 71.4098 175.3206 45 V 4.7674 7.8080 119.0171 61.9407 30.6620 173.5852 46 C 4.4400 7.8872 123.4317 57.9693 32.7541 172.7962 47 P 4.8898 0.0000 0.0000 62.5672 30.5708 176.2684 48 E 4.7390 8.2063 114.3901 55.1241 30.5195 175.1613 49 C 5.3053 9.6300 120.8302 57.4937 31.7903 176.4003 50 G 3.8696 7.6777 112.6578 46.7266 0.0000 174.9833 51 Y 4.4522 8.4749 125.3839 57.8623 42.4199 171.2059 52 Y 5.2313 9.4063 120.2457 54.0824 36.7252 175.3897 53 A 5.4672 9.1203 135.0000 51.6460 20.3003 177.3429 54 G 3.9154 7.7850 104.5273 46.5160 0.0000 173.7522 55 R 4.2624 7.9742 119.3693 55.5625 30.4525 175.8471 56 K 4.0306 9.5336 127.3169 58.0940 36.1918 175.1921 57 V 2.9937 7.8935 113.1642 63.9620 30.4196 173.7263 58 L 4.4592 7.9624 130.6700 56.0798 43.8643 175.7445 59 E 4.2369 8.2086 118.2971 56.3718 29.6644 176.9140 60 V 3.9277 8.2910 119.8607 63.9466 31.6249 176.6100 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 2 A 8.25 4.30 1.28 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 0.00 0.00 3 K 8.27 3.92 0.00 1.97 1.84 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.16 1.66 7.81 4 H 9.25 3.84 0.00 3.16 3.24 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.71 0.00 2.04 1.96 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 6 V 7.69 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 0.75 0.00 0.00 1.01 0.00 0.00 7 P 0.00 4.40 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 K 8.78 4.06 0.00 1.72 1.87 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.52 4.65 0.00 1.74 1.66 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 K 8.60 3.92 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 T 8.39 4.00 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 12 S 8.44 4.43 0.00 4.07 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 13 K 8.68 3.51 0.00 1.81 1.92 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.83 3.93 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 15 R 7.34 3.84 0.00 1.91 1.97 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 8.81 4.03 0.00 1.86 1.98 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 17 D 7.96 4.33 0.00 2.80 2.69 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 18 A 7.63 3.95 1.41 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 0.00 0.00 0.00 19 R 7.52 4.13 0.00 1.94 2.08 0.00 3.26 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 20 R 7.80 3.89 0.00 2.03 1.84 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 21 S 7.97 4.37 0.00 3.85 3.93 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 22 H 8.02 4.86 0.00 3.17 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.57 4.51 0.00 3.24 3.36 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.03 3.94 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 25 L 8.43 4.16 0.00 1.65 1.63 0.92 0.84 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 26 T 8.06 4.50 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 27 P 0.00 4.29 0.00 2.08 1.99 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 28 P 0.00 4.33 0.00 2.18 2.06 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 T 8.27 4.44 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 30 L 8.35 5.03 0.00 1.51 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.05 4.54 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 0.76 0.00 0.00 0.92 0.00 0.00 32 P 0.00 4.57 0.00 1.90 1.97 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 33 C 9.36 4.29 0.00 2.89 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 34 P 0.00 4.14 0.00 2.10 1.96 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 35 E 8.69 3.37 0.00 2.09 2.07 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 2.08 2.12 0.00 36 C 8.40 3.94 0.00 3.14 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 37 K 8.77 3.75 0.00 1.86 2.01 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 38 A 7.41 4.06 1.25 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 39 M 8.50 4.78 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 40 K 8.66 4.86 0.00 1.80 1.84 0.00 1.19 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.32 7.81 41 P 0.00 5.04 0.00 2.16 2.22 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 42 P 0.00 4.19 0.00 2.16 2.12 0.00 4.03 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 43 H 8.86 4.16 0.00 3.43 3.61 0.00 5.65 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.26 4.76 4.28 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 1.26 0.00 0.00 45 V 7.81 4.77 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 0.99 0.00 0.00 1.04 0.00 0.00 46 C 7.89 4.44 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.89 0.00 2.23 2.15 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 48 E 8.21 4.74 0.00 1.92 1.91 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 2.21 2.29 0.00 49 C 9.63 5.31 0.00 3.26 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 50 G 7.68 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.47 4.45 0.00 2.92 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 52 Y 9.41 5.23 0.00 2.90 3.03 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 53 A 9.12 5.47 1.30 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 0.00 0.00 54 G 7.79 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 55 R 7.97 4.26 0.00 1.79 1.83 0.00 3.50 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 56 K 9.53 4.03 0.00 1.90 1.81 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.24 1.23 7.81 57 V 7.89 2.99 2.10 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 0.86 0.00 0.00 0.96 0.00 0.00 58 L 7.96 4.46 0.00 1.73 1.70 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.21 4.24 0.00 1.99 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 2.32 2.31 0.00 60 V 8.29 3.93 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00