NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4601 8.2893 120.3255 54.5234 33.3859 174.9177 2 P 4.3552 0.0000 0.0000 60.5794 32.3681 173.9301 3 K 4.5350 8.7607 119.8396 55.6925 36.0277 176.3599 4 I 3.9799 8.1733 121.3656 61.1364 37.7222 175.7487 5 I 4.7546 8.1381 125.1233 59.4534 40.0889 174.4897 6 E 4.8970 8.5000 121.3454 54.7348 32.5799 174.8997 7 A 5.1192 8.5351 123.7186 50.6559 23.2465 174.9009 8 V 4.5046 9.3089 119.0487 61.3788 34.9232 173.8166 9 Y 4.7105 8.5467 128.0759 56.4815 40.4326 175.0770 10 E 4.3974 8.3439 128.5297 55.0629 32.1494 176.5372 11 N 4.5370 7.9795 116.5278 54.0532 37.1568 175.3977 12 G 4.3719 6.4161 103.8046 44.1986 0.0000 173.0975 13 V 4.3806 6.8010 119.7560 60.7559 34.5984 174.3722 14 F 5.4542 8.8523 124.6672 55.8625 41.2953 174.8019 15 K 4.7019 9.4344 124.9387 53.6007 34.1056 174.6190 16 P 4.6156 0.0000 0.0000 63.4138 31.7224 175.7525 17 L 4.3561 9.0912 119.5508 56.7430 42.5927 177.4367 18 Q 4.0572 7.7310 117.5949 55.3506 29.3359 176.4388 19 K 3.9631 8.6696 124.1824 56.7292 32.6452 176.0316 20 V 4.2873 8.2659 119.6494 59.8278 33.0984 175.5024 21 D 4.8054 8.4773 123.9259 52.0334 41.2705 174.3839 22 L 4.8674 7.7407 124.3245 52.8699 45.3147 176.2419 23 K 4.4351 8.3777 118.1082 55.9702 33.5281 175.8453 24 E 4.2047 8.5866 120.5159 56.5772 30.7169 176.9289 25 G 3.7667 8.5289 112.4896 46.1487 0.0000 172.3322 26 E 4.3939 7.7493 118.6453 54.8388 31.6573 175.5119 27 R 4.4019 8.3622 124.4785 54.9342 30.1927 175.9140 28 V 4.5453 8.0106 115.1172 59.1440 35.2891 175.3613 29 K 4.5838 8.2855 119.5329 54.6700 34.9563 175.9737 30 I 4.3874 8.0024 123.0307 59.3969 39.4423 175.0041 31 K 4.6578 8.0972 121.4854 55.3296 35.4903 175.0248 32 L 4.8794 7.9854 118.9203 53.4404 43.1856 176.2125 33 E 4.1437 8.6353 119.5774 56.4833 30.0816 176.4936 34 L 4.8827 8.2713 121.8116 52.6496 44.7443 175.9473 35 K 4.6897 8.3749 119.3491 54.8598 35.3135 175.6611 36 V 4.3211 8.2875 120.3285 59.6689 33.1905 174.8425 37 E 4.4988 8.5385 121.6958 53.4393 30.9004 173.8635 38 P 4.5179 0.0000 0.0000 62.1515 32.3831 175.3655 39 I 4.2795 7.7841 111.6412 59.2608 39.1654 174.7168 40 D 4.4279 8.4219 121.6972 53.7773 41.5350 175.5778 41 L 4.3550 8.5343 127.2693 53.4746 42.1361 176.2684 42 G 4.0806 8.6506 113.4235 43.5208 0.0000 171.3720 43 E 4.7878 8.4164 122.6831 52.9772 32.8011 173.8985 44 P 4.3641 0.0000 0.0000 62.6643 32.0415 176.5006 45 V 3.8135 8.0086 120.1145 62.6317 32.1820 175.8692 46 S 4.4039 8.2156 121.0631 57.6414 63.7370 173.8981 47 V 3.8416 8.1116 121.4686 62.4496 31.4501 174.7237 48 E 4.6942 8.3829 127.7841 54.2290 31.5492 176.4180 49 E 4.0391 8.7186 123.1603 59.2599 29.6247 178.8997 50 I 3.8926 7.7229 118.1538 62.9791 37.4798 175.9437 51 K 4.3387 7.8464 120.6637 54.8500 32.8952 176.1763 52 K 4.3978 8.3609 123.6321 54.4823 33.8838 174.9860 53 I 3.9991 8.3442 126.8755 61.0599 39.0254 176.8746 54 R 3.6688 8.3585 127.2553 56.4088 29.8577 173.2290 55 D 5.0735 8.3695 115.9227 52.0957 41.9546 175.2122 56 G 4.2033 8.3907 106.9875 44.8378 0.0000 172.4241 57 T 4.5188 8.5285 115.6172 60.2414 69.7669 174.7014 58 W 4.2901 8.9859 126.5758 56.1295 29.9389 175.2395 59 M 4.6563 8.1263 119.7582 54.9684 34.2802 176.5992 60 S 4.1199 8.7692 115.9927 58.8657 61.4272 170.5554 61 S 4.6137 7.7313 112.6928 59.3788 62.7765 173.6577 62 L 4.7743 7.6537 120.4899 52.7540 44.0012 175.3273 63 E 4.6682 8.5718 123.2215 55.3432 31.2698 175.7741 64 H 4.9729 8.2992 123.2312 54.8871 30.3798 171.6692 65 H 4.9495 7.9327 118.4450 54.1950 33.2160 172.6367 66 H 4.9195 8.2744 115.3672 54.9218 31.1138 173.4186 67 H 4.6304 8.2104 122.1153 52.5953 29.2597 170.8714 68 H 4.5199 7.5902 114.1558 55.3100 31.5194 173.4167 69 H 4.3237 8.7600 125.3396 56.1944 29.7120 174.9892 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 8.29 4.46 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.36 0.00 2.25 2.03 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 3 K 8.76 4.53 0.00 1.83 1.76 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.44 7.81 4 I 8.17 3.98 1.86 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 1.40 0.39 0.90 0.00 0.00 5 I 8.14 4.75 1.85 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 1.41 0.71 0.91 0.00 0.00 6 E 8.50 4.90 0.00 1.90 1.83 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 2.29 2.27 0.00 7 A 8.54 5.12 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 8 V 9.31 4.50 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 0.92 0.00 0.00 0.98 0.00 0.00 9 Y 8.55 4.71 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.34 4.40 0.00 1.76 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 2.13 0.00 11 N 7.98 4.54 0.00 2.53 2.64 0.00 0.00 6.93 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 12 G 6.42 4.37 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 0.00 13 V 6.80 4.38 1.88 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 0.78 0.00 0.00 0.76 0.00 0.00 14 F 8.85 5.45 0.00 3.03 2.95 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 15 K 9.43 4.70 0.00 1.67 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 16 P 0.00 4.62 0.00 2.25 2.10 0.00 3.80 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 2.02 2.04 0.00 17 L 9.09 4.36 0.00 1.70 1.71 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.73 4.06 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 19 K 8.67 3.96 0.00 1.70 1.74 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.53 7.81 20 V 8.27 4.29 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 0.89 0.00 0.00 0.94 0.00 0.00 21 D 8.48 4.81 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.87 0.00 1.61 1.55 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.38 4.44 0.00 1.74 1.73 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.44 7.81 24 E 8.59 4.20 0.00 1.96 1.89 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 2.29 2.30 0.00 25 G 8.53 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 26 E 7.75 4.39 0.00 2.12 1.83 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 2.25 2.28 0.00 27 R 8.36 4.40 0.00 1.80 1.87 0.00 3.25 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 28 V 8.01 4.55 2.01 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 0.71 0.00 0.00 0.84 0.00 0.00 29 K 8.29 4.58 0.00 1.64 1.61 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.37 7.81 30 I 8.00 4.39 1.58 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.21 0.40 0.00 0.00 31 K 8.10 4.66 0.00 1.78 1.69 0.00 1.49 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.39 7.81 32 L 7.99 4.88 0.00 1.75 1.68 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.64 4.14 0.00 1.99 1.93 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 2.33 2.28 0.00 34 L 8.27 4.88 0.00 1.57 1.54 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.37 4.69 0.00 1.81 1.74 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.38 7.81 36 V 8.29 4.32 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 0.80 0.00 0.00 0.93 0.00 0.00 37 E 8.54 4.50 0.00 2.04 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 2.15 2.25 0.00 38 P 0.00 4.52 0.00 2.20 2.12 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 1.95 0.00 39 I 7.78 4.28 1.87 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 0.65 0.91 0.00 0.00 40 D 8.42 4.43 0.00 2.64 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 41 L 8.53 4.35 0.00 1.67 1.60 0.92 0.88 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 42 G 8.65 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 43 E 8.42 4.79 0.00 2.03 1.88 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 2.16 2.25 0.00 44 P 0.00 4.36 0.00 2.20 2.10 0.00 3.76 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 45 V 8.01 3.81 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 0.91 0.00 0.00 0.93 0.00 0.00 46 S 8.22 4.40 0.00 3.90 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 47 V 8.11 3.84 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 0.76 0.00 0.00 0.93 0.00 0.00 48 E 8.38 4.69 0.00 2.07 1.78 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 2.30 2.46 0.00 49 E 8.72 4.04 0.00 2.01 2.03 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 2.36 2.30 0.00 50 I 7.72 3.89 1.88 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 0.35 0.92 0.00 0.00 51 K 7.85 4.34 0.00 1.98 1.75 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.51 7.81 52 K 8.36 4.40 0.00 1.67 1.70 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.67 7.81 53 I 8.34 4.00 1.88 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 1.31 0.96 0.92 0.00 0.00 54 R 8.36 3.67 0.00 1.94 1.93 0.00 3.32 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 55 D 8.37 5.07 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.53 4.52 4.30 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 1.27 0.00 0.00 58 W 8.99 4.29 0.00 3.35 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 59 M 8.13 4.66 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 60 S 8.77 4.12 0.00 4.08 4.06 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 61 S 7.73 4.61 0.00 4.05 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 62 L 7.65 4.77 0.00 1.62 1.57 0.94 0.91 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 63 E 8.57 4.67 0.00 1.95 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 2.27 2.26 0.00 64 H 8.30 4.97 0.00 3.03 3.11 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.93 4.95 0.00 3.29 3.11 0.00 5.96 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.27 4.92 0.00 3.20 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.21 4.63 0.00 3.07 3.24 0.00 5.99 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 7.59 4.52 0.00 3.11 3.21 0.00 5.98 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.76 4.32 0.00 3.10 3.12 0.00 6.01 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00