NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5399 8.3049 120.3571 55.1177 34.4493 176.0231 2 K 4.1707 7.9373 114.1634 55.0993 36.1674 176.6456 3 K 4.5846 9.0698 117.9269 62.6032 33.6170 179.3012 4 D 3.5934 8.7708 116.8502 55.3611 43.8995 176.3942 5 I 3.5901 7.9452 119.7631 63.8899 38.2730 174.6777 6 H 5.0188 9.3089 117.3754 52.9917 34.0233 172.9206 7 P 3.8522 0.0000 0.0000 64.2224 30.7987 179.2877 8 K 4.4697 8.1526 124.1529 58.3813 37.2292 172.1451 9 Y 4.5913 7.1304 121.8370 55.1071 38.7834 176.7109 10 E 3.9589 9.7353 110.2559 57.0436 27.4245 175.0548 11 E 3.9177 5.9000 121.2335 56.7764 30.5082 175.2653 12 I 4.3888 6.8203 114.5167 61.1489 40.5153 173.8440 13 T 4.4832 8.3303 120.7864 61.5288 69.6832 171.4154 14 A 4.4587 8.6487 129.8898 51.8669 19.0896 176.4407 15 S 4.8323 8.5878 113.1007 56.6955 65.4464 173.0427 16 C 4.9433 8.6484 121.4065 58.0580 31.2872 173.9611 17 S 4.8843 8.2471 116.4230 57.1774 63.9046 173.2359 18 C 4.6102 8.6737 120.4301 61.3599 33.2757 173.8500 19 G 4.1067 9.4980 119.3113 43.5677 0.0000 172.9034 20 N 4.1213 8.0542 113.7566 53.2352 42.1895 172.9097 21 V 4.1941 8.1612 121.8995 61.0470 33.0360 175.7709 22 M 4.4245 8.5747 128.2742 54.8180 31.1726 175.8104 23 K 4.4883 7.6349 131.5435 55.3762 33.1750 178.0298 24 I 4.2773 7.9876 117.2135 60.0986 39.3898 174.1121 25 R 4.3674 9.3947 131.3705 57.6733 32.1659 176.4758 26 S 5.4506 8.1398 118.9632 59.5281 66.2051 180.6558 27 T 3.9330 8.5530 124.2079 64.4909 68.5153 172.8908 28 V 4.2138 7.9955 117.1682 60.2569 36.0626 173.0976 29 G 4.1346 8.4975 106.5006 44.7068 0.0000 174.9575 30 H 4.3393 8.8143 122.7922 57.3464 34.1092 172.9991 31 D 5.1631 7.2988 122.8764 53.1907 39.6376 175.2303 32 L 5.0139 7.5586 120.2136 54.2977 43.8134 173.6958 33 N 5.1003 8.1087 113.9818 52.9649 40.9462 175.2077 34 L 3.8026 9.5964 125.8486 58.4576 40.9667 175.0395 35 D 4.0763 7.2586 114.1019 51.0391 40.7781 175.8018 36 V 4.4636 8.0902 121.0332 61.0885 34.1361 174.5424 37 C 4.5301 8.6550 126.3773 58.9459 32.3878 172.9810 38 S 4.6499 8.5565 118.0269 57.9251 63.0032 174.1596 39 K 4.1901 7.7488 118.1079 58.0552 33.6186 177.8095 40 C 4.1715 9.1224 120.2428 59.9248 29.1413 175.5206 41 H 5.0453 9.1029 111.6229 53.1279 33.7564 170.9808 42 P 4.7724 0.0000 0.0000 62.4877 28.6840 176.2505 43 F 4.1901 8.1868 118.6524 57.8263 39.9302 174.8599 44 F 5.1332 9.2468 117.7777 55.7426 40.7027 174.2207 45 T 3.2196 7.3421 116.0703 61.9374 70.0263 171.8355 46 G 4.2592 8.2512 113.8220 44.6542 0.0000 172.2999 47 K 4.7284 7.7911 124.6245 54.6677 35.4876 175.3822 48 Q 4.4741 8.0702 118.4104 54.3564 30.7034 175.4716 49 R 4.1461 8.1622 121.8627 56.6395 30.7432 175.2181 50 D 4.2517 8.4807 113.5683 55.3809 40.8065 173.7456 51 V 4.1319 9.1433 115.5025 64.2089 33.7387 177.5334 52 A 3.8738 8.5279 123.2518 55.4297 18.7307 179.0092 53 T 3.8084 8.2602 110.1321 65.2724 67.3675 176.2343 54 G 4.3688 7.8109 108.0952 45.8060 0.0000 174.0796 55 G 4.6179 8.4310 103.8786 43.3883 0.0000 173.7480 56 R 4.7551 7.7494 113.3105 56.5799 34.3661 176.3847 57 V 3.7661 7.5811 118.2092 65.5174 32.4106 176.2422 58 D 4.2923 8.2829 119.1141 54.8868 40.1485 176.8634 59 R 4.6837 8.3418 115.1702 55.7013 32.4798 176.7514 60 F 4.1791 9.5711 119.3324 60.2191 38.8081 175.1826 61 N 4.7038 7.5070 117.4672 55.0931 39.8049 176.1131 62 K 4.6516 7.6967 117.9955 57.3429 32.6128 177.5662 63 R 4.5325 7.9979 116.0336 55.9896 31.3392 174.4992 64 F 4.3427 8.4667 118.6429 59.0200 39.2089 176.2924 65 N 4.3862 7.6948 118.3768 54.2370 38.1103 176.2892 66 I 3.6242 8.0918 119.9973 64.5986 37.8198 176.1423 67 P 4.2950 0.0000 0.0000 64.9656 31.1151 178.7610 68 G 3.8083 7.5211 104.2247 46.5301 0.0000 174.3719 69 S 4.5820 7.9439 118.2542 54.3128 62.0308 173.9265 70 K 3.9733 8.1311 123.4932 56.7293 32.6528 174.7054 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 4.54 0.00 2.01 2.19 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 2.49 2.58 0.00 2 K 7.94 4.17 0.00 1.92 1.73 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.50 7.81 3 K 9.07 4.58 0.00 2.03 2.39 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.63 1.59 7.81 4 D 8.77 3.59 0.00 2.84 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 5 I 7.95 3.59 1.86 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 1.27 0.48 0.92 0.00 0.00 6 H 9.31 5.02 0.00 3.03 3.19 0.00 5.99 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 3.85 0.00 2.04 1.60 0.00 2.56 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 8 K 8.15 4.47 0.00 1.99 1.91 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.16 1.15 7.81 9 Y 7.13 4.59 0.00 2.97 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 9.74 3.96 0.00 2.10 1.94 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 2.34 2.29 0.00 11 E 5.90 3.92 0.00 1.16 1.55 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 2.10 1.95 0.00 12 I 6.82 4.39 1.88 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 1.19 0.11 0.84 0.00 0.00 13 T 8.33 4.48 4.29 0.00 0.00 0.00 0.00 0.00 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 14 A 8.65 4.46 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 15 S 8.59 4.83 0.00 3.86 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 16 C 8.65 4.94 0.00 2.97 2.80 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 0.00 0.00 0.00 17 S 8.25 4.88 0.00 3.79 3.80 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 0.00 0.00 0.00 18 C 8.67 4.61 0.00 2.92 2.81 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 19 G 9.50 4.11 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 0.00 0.00 0.00 20 N 8.05 4.12 0.00 2.68 2.68 0.00 0.00 6.59 7.71 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 21 V 8.16 4.19 2.27 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 0.88 0.00 0.00 0.93 0.00 0.00 22 M 8.57 4.42 0.00 2.02 2.00 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 2.58 2.53 0.00 23 K 7.63 4.49 0.00 1.92 1.65 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.46 7.81 24 I 7.99 4.28 1.89 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 1.34 0.59 0.93 0.00 0.00 25 R 9.39 4.37 0.00 1.88 1.95 0.00 3.38 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 26 S 8.14 5.45 0.00 3.99 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 27 T 8.55 3.93 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 28 V 8.00 4.21 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 -0.19 0.00 0.00 0.83 0.00 0.00 29 G 8.50 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 30 H 8.81 4.34 0.00 3.21 3.37 0.00 6.09 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 31 D 7.30 5.16 0.00 3.18 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 32 L 7.56 5.01 0.00 1.78 1.82 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.11 5.10 0.00 2.89 3.00 0.00 0.00 7.49 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 34 L 9.60 3.80 0.00 1.75 1.71 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.26 4.08 0.00 2.76 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 36 V 8.09 4.46 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 0.89 0.00 0.00 1.00 0.00 0.00 37 C 8.66 4.53 0.00 2.94 2.88 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 38 S 8.56 4.65 0.00 3.80 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 39 K 7.75 4.19 0.00 1.74 1.57 0.00 2.05 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.38 7.81 40 C 9.12 4.17 0.00 3.15 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 41 H 9.10 5.05 0.00 3.09 3.33 0.00 5.93 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 42 P 0.00 4.77 0.00 2.09 2.06 0.00 3.91 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 2.09 2.32 0.00 43 F 8.19 4.19 0.00 2.83 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 44 F 9.25 5.13 0.00 3.17 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 45 T 7.34 3.22 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 1.15 0.00 0.00 46 G 8.25 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 0.00 0.00 0.00 0.00 47 K 7.79 4.73 0.00 1.89 1.80 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.31 7.81 48 Q 8.07 4.47 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.56 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 49 R 8.16 4.15 0.00 1.80 1.75 0.00 3.44 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 50 D 8.48 4.25 0.00 2.73 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 51 V 9.14 4.13 2.33 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 1.02 0.00 0.00 1.00 0.00 0.00 52 A 8.53 3.87 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 53 T 8.26 3.81 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 1.19 0.00 0.00 54 G 7.81 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 55 G 8.43 4.62 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 0.00 0.00 0.00 56 R 7.75 4.76 0.00 2.19 2.16 0.00 3.29 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.88 0.00 57 V 7.58 3.77 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 0.79 0.00 0.00 0.97 0.00 0.00 58 D 8.28 4.29 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.34 4.68 0.00 2.07 2.03 0.00 3.17 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 60 F 9.57 4.18 0.00 2.91 3.18 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 0.00 0.00 0.00 0.00 61 N 7.51 4.70 0.00 2.90 2.75 0.00 0.00 7.06 6.63 0.00 0.00 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 K 7.70 4.65 0.00 1.82 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.45 7.81 63 R 8.00 4.53 0.00 1.73 1.89 0.00 3.28 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 64 F 8.47 4.34 0.00 3.01 3.02 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 65 N 7.69 4.39 0.00 2.87 2.63 0.00 0.00 7.06 7.97 0.00 0.00 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 I 8.09 3.62 1.80 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 1.61 1.23 0.87 0.00 0.00 67 P 0.00 4.30 0.00 1.35 1.80 0.00 3.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 68 G 7.52 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 0.00 0.00 0.00 69 S 7.94 4.58 0.00 3.84 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 70 K 8.13 3.97 0.00 2.14 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.17 1.13 7.81