NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3358 8.2644 123.5814 51.6868 20.5710 177.3693 2 K 4.1371 7.8601 113.6753 53.6567 34.4186 172.4592 3 T 3.8936 7.9584 110.6775 60.5606 70.6080 170.5107 4 I 4.1635 7.5030 118.3172 60.2995 41.5566 173.2475 5 K 4.8234 8.8010 129.2650 56.1719 33.8273 175.9738 6 I 5.1522 8.9481 123.3837 60.0568 41.4918 174.6241 7 T 4.9462 8.5813 121.2828 61.9819 72.7011 175.0698 8 Q 3.8381 8.8110 125.0807 57.3567 29.5771 178.3634 9 T 3.6876 8.8561 112.5777 62.8832 67.6155 171.4214 10 R 4.5117 8.1873 117.6323 54.8341 33.3730 174.2489 11 S 4.2554 8.7218 118.4293 58.8178 62.8964 173.3509 12 A 4.7787 8.2227 125.5380 52.0908 18.8456 178.5564 13 I 3.9077 7.0397 121.9517 65.5550 37.6806 177.8308 14 G 3.7081 7.8143 108.1795 46.2310 0.0000 173.6585 15 R 4.3201 7.6429 118.7759 55.1187 30.9414 177.2428 16 L 4.1912 8.3317 119.5707 53.9746 43.5468 176.4675 17 P 4.2442 0.0000 0.0000 65.9304 31.3341 179.1443 18 K 3.9371 7.9732 116.3528 59.7815 31.9684 178.5645 19 H 4.2330 8.2222 115.9547 59.9082 28.6869 176.7765 20 K 3.8388 8.7131 119.2147 59.1126 31.7520 179.2408 21 A 3.9496 8.5731 120.5375 55.6289 18.7772 179.7475 22 T 3.8024 8.5465 114.5539 67.0034 68.7213 176.4898 23 L 3.9207 8.1126 121.0242 58.0592 41.5582 179.6219 24 L 4.0712 8.0318 120.0905 58.0838 41.9043 179.1566 25 G 3.6417 7.9970 103.9155 46.7995 0.0000 174.8032 26 L 4.3545 7.9385 119.6593 54.0856 42.3069 176.5416 27 G 3.8352 7.9925 107.0185 46.5708 0.0000 173.9891 28 L 4.6466 7.6597 119.4090 52.9111 42.7721 177.3257 29 R 4.1003 8.5392 123.5661 58.6036 30.8571 176.7304 30 R 4.5934 7.4263 114.3305 54.1928 34.2573 174.0055 31 I 3.8023 8.2317 112.8632 63.0672 37.2734 176.0610 32 G 3.8410 8.9887 113.3358 46.4008 0.0000 174.0569 33 H 4.2031 8.0970 119.7080 59.0369 29.9843 172.2311 34 T 3.6421 8.5154 121.6805 63.0134 68.6477 171.4324 35 V 4.3442 8.0613 122.5299 60.9818 35.1939 171.5791 36 E 5.1619 8.7774 121.3504 54.8306 31.5987 175.6202 37 R 4.7980 8.5477 122.4433 53.9159 34.6391 174.9622 38 E 4.4271 8.6939 120.2453 55.8360 30.3944 176.5319 39 D 4.6127 8.2036 121.1991 54.5032 41.4273 177.0683 40 T 4.2213 7.5391 112.9651 61.0718 70.0028 172.0607 41 P 4.2212 0.0000 0.0000 65.2099 31.0138 178.9187 42 A 3.9842 7.9753 119.8303 55.2095 18.4353 179.3985 43 I 3.8345 7.6615 110.3134 63.2899 38.0363 177.7462 44 R 4.1295 8.2455 120.8512 58.5624 29.8849 178.4719 45 G 3.5985 7.8715 105.8458 47.8928 0.0000 175.8466 46 M 4.0389 7.4607 119.7550 58.2631 32.4802 178.2407 47 I 3.7590 7.5512 119.9695 64.7698 37.2653 177.6651 48 N 4.2303 8.1140 116.9919 56.8089 38.5341 176.3856 49 A 4.0911 7.7416 120.8452 54.4603 18.5444 178.6117 50 V 3.9469 7.4235 109.4063 60.6589 32.4805 177.9099 51 S 4.0274 8.1693 118.5440 61.6204 62.4911 176.4225 52 F 4.4766 7.7890 113.5580 58.4459 37.7416 174.7535 53 M 4.9473 7.2801 119.3573 54.5509 31.6119 175.7639 54 V 5.1292 7.4786 111.6897 61.1694 36.1965 174.2447 55 K 4.5782 8.7465 127.0135 55.1046 34.1675 175.2635 56 V 4.8937 8.2678 125.4826 59.9495 33.9979 174.3234 57 E 4.7511 9.0228 124.7797 54.2522 31.9729 176.2110 58 E 4.2305 8.7202 121.3810 56.3546 29.9174 175.6841 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 A 8.26 4.34 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 2 K 7.86 4.14 0.00 1.74 1.78 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.54 7.81 3 T 7.96 3.89 4.23 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 1.20 0.00 0.00 4 I 7.50 4.16 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 1.33 1.06 0.96 0.00 0.00 5 K 8.80 4.82 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.44 7.81 6 I 8.95 5.15 1.85 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 1.21 0.73 0.88 0.00 0.00 7 T 8.58 4.95 4.22 0.00 0.00 0.00 0.00 0.00 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 8 Q 8.81 3.84 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.84 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 9 T 8.86 3.69 4.22 0.00 0.00 0.00 0.00 0.00 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 10 R 8.19 4.51 0.00 1.75 1.78 0.00 3.48 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 S 8.72 4.26 0.00 3.89 3.78 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 12 A 8.22 4.78 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 13 I 7.04 3.91 1.89 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 1.24 0.54 0.92 0.00 0.00 14 G 7.81 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 0.00 0.00 0.00 15 R 7.64 4.32 0.00 2.08 2.02 0.00 3.31 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 16 L 8.33 4.19 0.00 1.41 1.49 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.24 0.00 2.14 2.12 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 18 K 7.97 3.94 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.52 7.81 19 H 8.22 4.23 0.00 3.46 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.71 3.84 0.00 2.01 1.79 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.52 7.81 21 A 8.57 3.95 1.37 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 22 T 8.55 3.80 4.46 0.00 0.00 0.00 0.00 0.00 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 23 L 8.11 3.92 0.00 1.89 1.74 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.03 4.07 0.00 1.73 1.85 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.35 0.00 1.87 1.71 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.99 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 28 L 7.66 4.65 0.00 1.67 1.63 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.54 4.10 0.00 1.45 1.85 0.00 3.31 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 30 R 7.43 4.59 0.00 1.85 1.77 0.00 3.16 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 31 I 8.23 3.80 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 1.35 0.53 0.95 0.00 0.00 32 G 8.99 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 33 H 8.10 4.20 0.00 3.33 3.35 0.00 6.06 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.52 3.64 4.18 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 1.18 0.00 0.00 35 V 8.06 4.34 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 0.79 0.00 0.00 0.91 0.00 0.00 36 E 8.78 5.16 0.00 1.82 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 2.17 2.27 0.00 37 R 8.55 4.80 0.00 1.77 1.75 0.00 3.16 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 38 E 8.69 4.43 0.00 1.83 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 2.31 2.36 0.00 39 D 8.20 4.61 0.00 2.63 2.63 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 0.00 0.00 0.00 0.00 40 T 7.54 4.22 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 41 P 0.00 4.22 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.98 3.98 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 43 I 7.66 3.83 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 1.73 0.67 0.90 0.00 0.00 44 R 8.25 4.13 0.00 2.02 2.08 0.00 3.13 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 45 G 7.87 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 7.46 4.04 0.00 1.99 2.24 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 2.82 2.57 0.00 47 I 7.55 3.76 1.98 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 1.37 1.42 0.87 0.00 0.00 48 N 8.11 4.23 0.00 2.85 2.95 0.00 0.00 7.18 8.13 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 49 A 7.74 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.42 3.95 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.91 0.00 0.00 51 S 8.17 4.03 0.00 3.97 4.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.79 4.48 0.00 3.15 3.24 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 53 M 7.28 4.95 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.89 0.00 54 V 7.48 5.13 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 0.38 0.00 0.00 0.89 0.00 0.00 55 K 8.75 4.58 0.00 1.82 1.64 0.00 1.65 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 56 V 8.27 4.89 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 0.79 0.00 0.00 0.99 0.00 0.00 57 E 9.02 4.75 0.00 1.92 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 2.22 2.21 0.00 58 E 8.72 4.23 0.00 2.04 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 2.17 2.26 0.00