NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4306 8.3231 116.7907 58.9245 63.1654 172.9689 3 G 3.8396 8.0584 118.9268 45.3190 0.0000 169.5942 4 K 4.7046 7.6176 117.1774 54.1855 37.2203 174.1356 5 M 4.8059 8.1731 117.0672 53.8311 33.4181 174.7032 6 T 4.2531 8.0750 111.6391 61.1940 71.6691 174.2887 7 G 4.4464 8.1707 107.4931 47.4107 0.0000 171.8307 8 I 5.3364 8.1659 113.3492 59.4111 41.5128 174.7643 9 V 4.0366 8.9379 125.9237 61.7296 32.4813 176.0018 10 K 3.6929 8.6431 123.4890 57.3232 32.7293 176.3636 11 W 5.3269 7.3703 118.7534 55.2275 33.5073 173.9496 12 F 5.0921 8.6362 119.6934 57.8085 42.0103 172.5580 13 N 4.6133 9.3982 124.0002 51.4719 40.5035 175.3836 14 A 4.1573 7.9750 124.7763 52.2281 20.5177 177.7266 15 D 4.3740 7.8728 115.3492 55.4462 39.9449 177.5578 16 K 4.1509 7.9679 117.5482 57.2012 33.9808 177.1871 17 G 4.0687 9.3700 106.2770 44.6540 0.0000 172.0884 18 F 5.1047 8.5385 114.8775 57.3036 44.9580 174.9414 19 G 4.6125 9.4828 107.5263 46.0824 0.0000 171.6514 20 F 5.4170 9.7215 118.0625 55.9159 42.6120 175.2326 21 I 4.3646 8.7446 124.5013 60.1334 40.4518 175.1741 22 T 4.8384 8.9688 119.9538 61.0520 71.3120 171.3716 23 P 4.7661 0.0000 0.0000 62.4011 32.5657 176.0013 24 D 4.3604 8.5428 121.1953 57.4168 38.4631 178.6299 25 D 4.4163 8.2619 121.1729 56.0821 41.4295 178.0784 26 G 3.9444 7.5322 109.0953 43.3032 0.0000 173.8871 27 S 4.0203 8.0500 115.6025 61.6736 63.0049 174.7796 28 K 4.2812 7.4044 117.7527 56.3131 32.2228 174.9261 29 D 5.0984 8.4468 117.8134 52.2271 41.9308 175.5232 30 V 4.3583 8.0199 115.2174 59.1643 35.5242 174.9272 31 F 4.7307 7.9245 117.5181 56.1153 40.1012 174.7141 32 V 4.8042 9.3442 119.3180 60.5113 35.2577 173.3223 33 H 5.4274 8.4675 115.9454 53.3126 32.1273 172.6133 34 F 4.9480 8.9134 111.7550 57.4918 38.2326 176.1304 35 S 4.3129 7.5831 111.3405 58.4974 63.2435 173.0657 36 A 4.4765 7.3730 116.7005 50.6051 19.8752 177.0462 37 I 4.5898 8.0271 121.1271 61.6919 40.2413 175.9207 38 Q 4.7086 8.3545 120.1986 53.1283 29.0908 175.8718 39 N 4.9630 7.6385 123.6389 51.7389 38.6183 177.7856 40 D 4.6597 8.8424 117.9983 55.8960 40.7497 176.1633 41 G 3.7655 8.5074 116.9340 45.1510 0.0000 174.7244 42 Y 3.7352 8.8560 111.3758 57.8976 36.4412 170.9176 43 K 3.9823 7.7249 120.5004 56.3184 32.9857 176.9243 44 S 4.6381 8.0262 115.5448 57.9847 66.6299 175.1658 45 L 4.6875 8.3321 123.4527 53.1178 45.4589 175.4717 46 D 4.8848 7.9937 119.3911 52.7912 42.6114 176.1400 47 E 4.3409 8.6683 119.4174 56.4894 30.5327 176.3901 48 G 3.5857 8.6167 113.9467 46.4544 0.0000 172.5049 49 Q 4.6232 7.6641 119.0104 53.6424 32.2930 174.1798 50 K 4.6730 8.4328 126.2753 56.3639 33.3462 175.9721 51 V 5.0491 8.9769 120.3818 59.8426 36.9009 174.4508 52 S 4.7690 8.6638 117.4220 57.0090 66.6323 172.4372 53 F 5.5662 7.5870 111.6932 58.2363 42.0359 175.5391 54 T 4.2766 8.9722 115.3997 63.4404 68.1036 176.1765 55 I 3.1926 8.4010 114.3053 62.3469 33.6650 173.8020 56 E 4.2945 9.2607 126.4420 55.5131 30.5988 175.8260 57 S 5.2503 7.6359 113.9104 56.0493 64.9470 172.7438 58 G 4.3269 8.7377 113.1476 46.1560 0.0000 172.5953 59 A 4.5054 7.6126 119.9681 51.2610 21.4823 177.6396 60 K 4.1625 7.8706 116.3759 55.8906 33.0787 177.2090 61 G 4.1645 7.6491 106.7397 47.2833 0.0000 170.5443 62 P 4.6519 0.0000 0.0000 61.3809 32.9647 175.7877 63 A 2.8127 8.1891 122.8071 51.2433 22.0932 177.4727 64 A 3.0247 8.4571 130.0149 54.9468 18.9128 177.2895 65 G 4.1312 9.5273 97.4970 47.8763 0.0000 171.7889 66 N 4.3218 8.4125 125.7159 54.4637 36.0507 174.8571 67 V 4.6390 7.8743 118.0059 62.1510 32.6954 175.2940 68 T 5.0023 8.3915 122.7610 59.9829 70.7835 172.7549 69 S 4.7654 8.5296 121.5665 57.5003 64.6355 174.0821 70 L 4.1592 8.5205 121.7920 55.1932 41.4132 176.8130 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 S 8.32 4.43 0.00 3.85 3.88 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 3 G 8.06 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 4 K 7.62 4.70 0.00 1.62 1.58 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.39 7.81 5 M 8.17 4.81 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 6 T 8.08 4.25 4.10 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 0.00 0.00 0.00 1.09 0.00 0.00 7 G 8.17 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 5.34 1.88 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 1.25 0.74 0.91 0.00 0.00 9 V 8.94 4.04 2.04 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 0.72 0.00 0.00 0.99 0.00 0.00 10 K 8.64 3.69 0.00 1.04 0.74 0.00 1.37 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.89 1.18 7.81 11 W 7.37 5.33 0.00 3.26 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 12 F 8.64 5.09 0.00 3.10 2.96 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 13 N 9.40 4.61 0.00 2.71 2.74 0.00 0.00 6.24 7.83 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 14 A 7.97 4.16 0.96 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 0.00 0.00 15 D 7.87 4.37 0.00 2.73 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 16 K 7.97 4.15 0.00 2.00 1.99 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.65 7.81 17 G 9.37 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 18 F 8.54 5.10 0.00 3.07 3.04 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 0.00 0.00 0.00 0.00 19 G 9.48 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.72 5.42 0.00 3.13 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 21 I 8.74 4.36 1.26 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.78 0.00 0.00 22 T 8.97 4.84 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 1.22 0.00 0.00 23 P 0.00 4.77 0.00 2.33 2.69 0.00 4.11 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 24 D 8.54 4.36 0.00 2.79 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 25 D 8.26 4.42 0.00 2.68 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 26 G 7.53 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.02 0.00 3.86 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.40 4.28 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.42 7.81 29 D 8.45 5.10 0.00 2.87 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 30 V 8.02 4.36 1.72 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 0.55 0.00 0.00 0.51 0.00 0.00 31 F 7.92 4.73 0.00 3.07 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 32 V 9.34 4.80 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 0.93 0.00 0.00 0.89 0.00 0.00 33 H 8.47 5.43 0.00 2.81 2.99 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.91 4.95 0.00 3.27 3.23 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 35 S 7.58 4.31 0.00 3.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.37 4.48 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 37 I 8.03 4.59 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.96 0.00 0.00 38 Q 8.35 4.71 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.36 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 39 N 7.64 4.96 0.00 2.86 2.93 0.00 0.00 6.14 8.12 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 40 D 8.84 4.66 0.00 2.88 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.51 3.77 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 0.00 0.00 0.00 42 Y 8.86 3.74 0.00 2.96 3.16 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 0.00 0.00 0.00 43 K 7.72 3.98 0.00 1.81 1.93 0.00 2.05 0.00 0.00 2.46 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.72 7.81 44 S 8.03 4.64 0.00 3.91 3.72 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 45 L 8.33 4.69 0.00 0.29 0.97 0.56 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.99 4.88 0.00 2.92 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 0.00 0.00 0.00 0.00 47 E 8.67 4.34 0.00 2.30 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 0.00 2.28 2.35 0.00 48 G 8.62 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.66 4.62 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 50 K 8.43 4.67 0.00 1.87 1.65 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.68 1.45 7.81 51 V 8.98 5.05 2.28 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 0.66 0.00 0.00 1.10 0.00 0.00 52 S 8.66 4.77 0.00 3.64 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 53 F 7.59 5.57 0.00 3.03 3.11 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 0.00 0.00 0.00 0.00 54 T 8.97 4.28 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 1.23 0.00 0.00 55 I 8.40 3.19 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.85 0.00 0.00 56 E 9.26 4.29 0.00 2.08 1.80 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 2.31 2.23 0.00 57 S 7.64 5.25 0.00 3.79 3.71 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 58 G 8.74 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 0.00 0.00 0.00 0.00 59 A 7.61 4.51 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.16 0.00 1.81 1.70 0.00 1.62 0.00 0.00 1.89 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.51 7.81 61 G 7.65 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.65 0.00 1.87 1.95 0.00 3.90 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 1.96 1.94 0.00 63 A 8.19 2.81 0.96 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 0.00 0.00 64 A 8.46 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.53 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 66 N 8.41 4.32 0.00 2.92 2.85 0.00 0.00 6.65 7.68 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 67 V 7.87 4.64 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 1.17 0.00 0.00 0.97 0.00 0.00 68 T 8.39 5.00 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 1.19 0.00 0.00 69 S 8.53 4.77 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.52 4.16 0.00 1.80 1.59 0.88 1.06 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