NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3868 8.3049 120.2634 55.1206 33.6471 174.7353 2 L 4.1497 8.3625 122.4064 53.5908 43.5808 172.2384 3 E 5.2112 8.6947 120.8433 55.0569 32.3523 175.3646 4 G 4.3537 8.9401 109.8888 45.6753 0.0000 171.3319 5 K 5.1973 8.7268 117.5679 54.2686 36.8840 176.4902 6 V 3.8619 8.6601 124.6154 63.2326 31.8257 176.5090 7 K 3.8147 9.4333 130.9554 58.6485 32.7394 177.1051 8 W 5.7274 8.0065 118.2112 55.1822 33.7966 173.9331 9 F 4.8640 9.7606 125.8480 56.7657 42.3358 173.5075 10 N 4.5091 8.4128 126.2924 52.3380 38.4452 175.4649 11 S 4.3874 8.7994 122.9215 61.4366 63.0729 175.7753 12 E 4.0867 8.1552 121.4569 58.8847 29.7969 178.0794 13 K 4.4389 8.4742 115.4596 55.5419 32.9636 176.6600 14 G 3.9573 8.9568 108.2257 45.9091 0.0000 172.9811 15 F 4.8156 6.3664 111.9111 55.5817 41.6504 173.6234 16 G 3.9475 7.9757 105.0837 46.3453 0.0000 171.8300 17 F 5.2474 9.3685 119.2660 55.8641 43.7201 173.9834 18 I 4.7894 9.0765 124.4754 59.6199 39.2562 174.4947 19 E 4.8878 9.1809 125.7863 55.0213 32.2325 175.3346 20 V 4.7406 8.2725 123.5239 61.5010 34.8520 175.0134 21 E 4.1118 9.1718 123.9977 57.8056 29.7270 173.5296 22 G 4.0246 9.0568 111.0529 45.1697 0.0000 172.5612 23 Q 4.7052 7.9593 116.8879 53.3310 32.7793 174.8487 24 D 4.5927 8.4937 118.9271 54.2103 41.4586 176.5002 25 D 4.8644 8.6539 122.1647 54.9684 41.9286 175.8867 26 V 4.6057 8.9498 121.3745 60.9278 34.6527 174.4469 27 F 4.3082 9.0357 130.5210 57.9003 40.7777 173.9499 28 V 4.3445 7.6589 125.5403 60.0286 33.8995 174.2691 29 H 5.1656 8.3878 124.6010 53.9825 32.0811 175.5081 30 F 4.2872 8.6321 118.5693 59.7058 37.7467 177.6495 31 S 3.9849 7.1774 114.2724 60.1507 63.2200 174.9152 32 A 4.1663 8.1929 124.3750 53.8609 18.6272 177.3231 33 I 4.2935 7.4670 117.6233 61.1347 37.7173 175.9988 34 Q 4.2590 8.3533 124.4466 55.7984 29.7048 174.8605 35 G 3.8513 8.5475 105.8697 44.5962 0.0000 173.1953 36 E 4.3363 8.4261 118.4049 56.2692 31.0804 178.7788 37 G 3.8566 8.4478 108.0086 45.0616 0.0000 172.6439 38 F 4.1493 8.8332 122.4342 58.0802 39.9781 175.5364 39 K 4.3332 7.4467 127.2684 55.0112 33.1684 175.4315 40 T 4.2533 7.7321 116.6627 61.2079 70.2954 172.0351 41 L 4.5046 6.9655 122.3982 52.8301 45.8061 175.8563 42 E 4.7451 8.2118 120.7282 54.0706 31.9195 175.5313 43 E 4.2403 8.5870 121.3459 58.3723 29.9305 177.6310 44 G 3.9313 8.9084 112.2459 44.9951 0.0000 173.6185 45 Q 4.1364 7.8132 121.9529 55.8218 30.2064 175.2918 46 A 4.6817 8.6197 128.4362 52.2132 19.8741 176.5247 47 V 5.0988 9.0944 114.6540 59.6538 36.7627 174.5343 48 S 5.5245 8.7549 117.4364 56.9855 66.0501 172.9238 49 F 5.2639 8.3149 115.5423 57.5372 41.6291 171.9897 50 E 4.8070 9.0829 118.1359 54.5665 33.5049 175.0029 51 I 5.0712 8.2112 121.0656 59.8422 39.2661 175.6007 52 V 4.5172 8.9346 125.9637 60.7964 35.3759 174.0618 53 E 4.4213 8.7555 126.7651 55.8363 29.6230 176.5952 54 G 4.0431 8.5399 117.9700 44.1076 0.0000 172.6473 55 N 4.3761 8.7854 116.6417 56.2296 39.1801 175.6496 56 R 4.5009 7.3924 112.2175 55.2189 30.9222 174.0091 57 G 3.9195 7.9395 104.5956 43.0702 0.0000 170.1617 58 P 5.0226 0.0000 0.0000 63.2004 31.9406 175.9206 59 Q 5.0559 9.3125 120.2983 53.9682 33.5883 174.3707 60 A 4.9132 9.2660 123.3327 52.2901 19.2291 176.8998 61 A 4.6304 9.1270 121.6751 49.9138 22.9946 175.4184 62 N 4.2132 8.4256 113.8867 54.2764 36.3618 174.8290 63 V 4.5946 8.0042 118.1452 62.7343 33.4216 175.6270 64 T 4.9114 9.0002 124.6591 61.4617 72.0123 173.4178 65 K 4.5409 8.7476 125.7308 56.4507 32.6373 176.2822 66 E 4.7883 8.9176 124.6900 54.1019 32.4623 176.2193 67 A 4.1381 8.3907 123.1491 52.6369 18.5732 177.6968 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 4.39 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 2 L 8.36 4.15 0.00 0.35 1.25 0.60 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.69 5.21 0.00 1.82 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 2.22 2.35 0.00 4 G 8.94 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 0.00 0.00 0.00 0.00 5 K 8.73 5.20 0.00 1.75 1.60 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.23 7.81 6 V 8.66 3.86 2.20 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 1.11 0.00 0.00 0.87 0.00 0.00 7 K 9.43 3.81 0.00 1.72 1.91 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.60 1.29 7.81 8 W 8.01 5.73 0.00 3.52 2.98 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 9 F 9.76 4.86 0.00 2.92 2.98 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 10 N 8.41 4.51 0.00 2.11 1.93 0.00 0.00 6.56 7.52 0.00 0.00 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 S 8.80 4.39 0.00 4.16 4.12 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 0.00 0.00 0.00 12 E 8.16 4.09 0.00 1.99 2.23 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 2.31 2.41 0.00 13 K 8.47 4.44 0.00 1.70 2.11 0.00 1.92 0.00 0.00 2.01 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.48 7.81 14 G 8.96 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 0.00 0.00 0.00 15 F 6.37 4.82 0.00 2.67 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 16 G 7.98 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 0.00 0.00 0.00 17 F 9.37 5.25 0.00 3.28 3.09 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 0.00 0.00 0.00 0.00 18 I 9.08 4.79 1.47 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.43 0.66 0.00 0.00 19 E 9.18 4.89 0.00 2.01 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 0.00 2.38 2.23 0.00 20 V 8.27 4.74 2.21 0.00 0.00 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 1.23 0.00 0.00 21 E 9.17 4.11 0.00 2.02 1.77 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 2.24 1.91 0.00 22 G 9.06 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.96 4.71 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 24 D 8.49 4.59 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00 25 D 8.65 4.86 0.00 2.74 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 26 V 8.95 4.61 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 1.06 0.00 0.00 1.19 0.00 0.00 27 F 9.04 4.31 0.00 3.14 2.85 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 0.00 0.00 0.00 0.00 28 V 7.66 4.34 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 0.75 0.00 0.00 0.85 0.00 0.00 29 H 8.39 5.17 0.00 3.24 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.63 4.29 0.00 3.28 3.45 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 31 S 7.18 3.98 0.00 3.83 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.17 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 33 I 7.47 4.29 1.95 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.83 0.00 0.00 34 Q 8.35 4.26 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.93 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 35 G 8.55 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.43 4.34 0.00 2.24 1.90 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 2.28 1.87 0.00 37 G 8.45 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 0.00 0.00 0.00 38 F 8.83 4.15 0.00 2.93 2.98 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 39 K 7.45 4.33 0.00 1.71 1.69 0.00 2.08 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.54 7.81 40 T 7.73 4.25 4.27 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 1.29 0.00 0.00 41 L 6.97 4.50 0.00 0.33 1.09 0.58 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.21 4.75 0.00 2.02 1.82 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 2.31 2.38 0.00 43 E 8.59 4.24 0.00 1.94 1.82 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 2.34 2.45 0.00 44 G 8.91 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 0.00 0.00 0.00 45 Q 7.81 4.14 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 46 A 8.62 4.68 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 47 V 9.09 5.10 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 0.69 0.00 0.00 0.93 0.00 0.00 48 S 8.75 5.52 0.00 3.85 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 49 F 8.31 5.26 0.00 3.25 3.12 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 0.00 0.00 0.00 50 E 9.08 4.81 0.00 1.91 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 2.17 2.44 0.00 51 I 8.21 5.07 1.92 0.00 0.00 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 1.51 0.72 1.01 0.00 0.00 52 V 8.93 4.52 2.13 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 1.04 0.00 0.00 0.96 0.00 0.00 53 E 8.76 4.42 0.00 2.15 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 2.37 2.38 0.00 54 G 8.54 4.04 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 0.00 0.00 0.00 55 N 8.79 4.38 0.00 2.65 2.82 0.00 0.00 6.64 7.65 0.00 0.00 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 R 7.39 4.50 0.00 1.62 1.72 0.00 3.02 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 57 G 7.94 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 58 P 0.00 5.02 0.00 2.18 2.13 0.00 3.75 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 2.06 2.06 0.00 59 Q 9.31 5.06 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 60 A 9.27 4.91 1.13 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 61 A 9.13 4.63 1.24 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 0.00 0.00 0.00 62 N 8.43 4.21 0.00 2.91 2.85 0.00 0.00 6.47 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 63 V 8.00 4.59 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 0.88 0.00 0.00 0.91 0.00 0.00 64 T 9.00 4.91 4.26 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 1.28 0.00 0.00 65 K 8.75 4.54 0.00 1.62 1.72 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 66 E 8.92 4.79 0.00 1.79 1.84 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 2.43 2.40 0.00 67 A 8.39 4.14 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