NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2363 8.1701 117.3741 63.0738 69.8694 173.4939 3 A 4.0456 8.4156 127.6945 51.7366 19.1180 175.0983 4 L 4.6275 8.5094 121.0991 52.8633 44.5569 175.1703 5 A 4.2635 8.2804 125.8874 50.7807 19.6113 176.9299 6 K 3.8959 8.4708 122.1987 56.0093 32.0547 175.2150 7 P 4.5840 0.0000 0.0000 61.4191 32.7941 175.1411 8 Q 4.1748 8.3735 119.7177 56.1670 29.2761 175.0354 9 M 4.5643 8.6159 123.4438 55.3425 33.7749 176.1602 10 R 4.4466 7.6660 117.2149 55.2080 32.0809 175.9370 11 G 4.2766 8.5909 105.4737 46.2314 0.0000 175.9277 12 L 3.9800 7.4285 121.3353 57.2772 41.7296 178.8036 13 L 3.9301 7.8605 119.5346 58.1850 42.1359 178.6151 14 A 4.0207 8.0029 120.2617 55.1097 18.3028 179.2168 15 R 3.8170 8.0450 117.1541 59.7644 30.2242 178.4645 16 R 4.0400 8.1671 118.3575 59.5944 29.8468 178.1950 17 L 3.9353 8.1462 119.8010 58.3753 42.0999 178.9229 18 R 3.9403 8.2856 118.2301 59.3468 29.9775 178.8963 19 F 4.2347 8.4232 120.1161 61.8595 39.6744 176.9934 20 H 4.0986 8.3546 115.1897 57.9898 28.5078 178.0117 21 I 3.7325 8.1014 122.7648 64.2408 36.9393 178.4508 22 V 3.6934 7.5677 119.3003 66.0155 31.0541 178.2054 23 G 3.4548 7.8048 105.2057 47.7095 0.0000 175.4312 24 A 4.0238 7.7868 122.4053 54.6899 18.5111 179.4179 25 F 4.0917 8.3035 119.2330 61.8316 39.5052 177.1955 26 M 3.9302 8.3411 118.3246 58.5069 31.7380 178.9681 27 V 3.6683 7.4419 117.8316 65.7497 31.5596 178.3627 28 S 4.0719 7.8881 115.3266 61.2492 62.5807 176.3421 29 L 3.9289 7.7053 123.2941 58.0404 41.7060 179.2980 30 G 3.6240 8.1486 105.6705 47.3704 0.0000 175.5987 31 F 4.1946 8.3841 122.7679 61.0167 39.5237 177.0930 32 A 4.1202 8.5336 120.8234 55.8127 17.9764 179.5616 33 T 3.8427 7.8489 112.5986 66.9247 68.8408 176.2496 34 F 4.3222 8.0012 122.4968 61.2861 39.3379 176.6093 35 Y 3.6275 8.3052 119.5478 60.2817 38.6207 179.5912 36 K 4.5588 8.0438 119.0855 55.4472 32.2907 177.3550 37 F 4.8828 8.6619 121.5865 59.7306 46.4404 175.3492 38 A 3.5313 7.2709 120.5060 52.7869 18.3713 177.4267 39 V 3.9417 6.5289 114.3393 63.0470 35.5657 176.7549 40 A 3.8412 7.5081 120.4590 55.2101 18.3753 179.3510 41 E 3.8240 7.9003 116.3847 59.4063 29.6412 178.9739 42 K 3.6122 7.3315 119.8533 59.7929 32.0557 178.5352 43 R 3.9205 7.8123 118.4385 59.4117 30.0403 178.5046 44 K 3.9677 7.8612 117.8865 59.2881 31.9023 179.3253 45 K 3.9296 8.3421 119.7298 59.3359 32.2186 178.4841 46 A 4.0932 8.1376 121.2462 55.8307 18.3615 179.3523 47 Y 3.9354 8.3260 114.7262 60.8644 37.7816 178.4417 48 A 4.1309 8.1719 121.8682 55.4662 18.3606 179.4529 49 D 4.3550 8.8241 117.2600 57.3295 40.9061 178.6903 50 F 4.1589 8.1223 120.3307 61.3824 39.6166 176.2764 51 Y 4.4653 7.8135 112.4115 58.2711 37.9712 176.7324 52 R 4.0892 7.7172 121.2172 59.1721 30.7147 177.6723 53 N 5.0450 7.8183 112.1246 52.3827 39.0236 174.0853 54 Y 4.2320 7.7493 118.4352 56.3340 40.5971 174.2865 55 D 4.4983 7.5212 126.2410 52.2616 42.6030 176.7047 56 S 3.8589 8.0399 123.6445 61.6322 63.1032 176.1902 57 M 4.1402 7.9145 121.8633 57.9844 31.8317 178.4624 58 K 3.8895 8.2322 119.8147 59.3523 32.3228 178.3683 59 D 4.2690 8.0115 118.2921 57.3946 41.1692 177.7919 60 F 4.2937 8.6528 121.6153 61.3878 39.2196 176.6743 61 E 3.5519 8.4226 118.8462 59.3495 29.2729 178.6334 62 E 3.8745 7.8691 117.1488 59.6740 29.7369 179.0478 63 M 4.0488 7.8601 118.7988 57.9763 32.0109 178.7376 64 R 3.9327 7.6990 119.0598 59.3814 30.1245 178.5509 65 K 4.1003 8.0308 115.8499 58.0390 32.1036 178.0268 66 A 4.4181 7.4894 119.5552 51.0322 19.3914 177.1425 67 G 3.8258 8.0729 105.7417 46.4530 0.0000 175.4315 68 I 3.7892 7.4925 114.9349 62.5350 38.2195 176.3900 69 F 4.7947 7.4903 118.8013 57.4732 39.5614 174.5537 70 Q 4.4064 8.9579 123.5786 57.2793 29.9248 176.5061 71 S 4.6629 8.0655 109.0857 57.6107 63.2232 174.5468 72 A 4.5303 7.6109 123.9896 52.0730 19.5637 177.0643 73 K 4.2505 8.4510 119.5896 57.0980 32.2935 177.3607 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 T 8.17 4.24 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 1.21 0.00 0.00 3 A 8.42 4.05 1.26 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 4 L 8.51 4.63 0.00 1.62 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.28 4.26 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 6 K 8.47 3.90 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.58 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 Q 8.37 4.17 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.62 4.56 0.00 2.01 2.06 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 2.67 2.51 0.00 10 R 7.67 4.45 0.00 2.00 1.83 0.00 3.27 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 11 G 8.59 4.28 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 0.00 12 L 7.43 3.98 0.00 1.90 1.73 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.86 3.93 0.00 1.76 1.66 0.93 0.99 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 14 A 8.00 4.02 1.33 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 15 R 8.05 3.82 0.00 2.06 2.16 0.00 3.11 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 16 R 8.17 4.04 0.00 1.98 2.16 0.00 3.18 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 17 L 8.15 3.94 0.00 1.84 1.87 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.29 3.94 0.00 2.16 2.04 0.00 3.19 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 19 F 8.42 4.23 0.00 3.05 3.26 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 20 H 8.35 4.10 0.00 3.30 3.30 0.00 5.87 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 21 I 8.10 3.73 1.94 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 1.55 1.15 0.90 0.00 0.00 22 V 7.57 3.69 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.88 0.00 0.00 23 G 7.80 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 0.00 0.00 0.00 24 A 7.79 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 4.09 0.00 3.14 3.22 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 0.00 26 M 8.34 3.93 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.00 0.00 27 V 7.44 3.67 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 28 S 7.89 4.07 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.71 3.93 0.00 1.47 1.49 0.53 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.15 3.62 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 31 F 8.38 4.19 0.00 3.17 3.25 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 32 A 8.53 4.12 1.46 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 0.00 0.00 0.00 33 T 7.85 3.84 4.41 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 1.22 0.00 0.00 34 F 8.00 4.32 0.00 3.09 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 35 Y 8.31 3.63 0.00 2.75 2.91 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 36 K 8.04 4.56 0.00 1.92 1.86 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.55 7.81 37 F 8.66 4.88 0.00 2.79 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 38 A 7.27 3.53 0.49 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 0.00 0.00 39 V 6.53 3.94 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 0.00 0.00 0.52 0.00 0.00 0.38 0.00 0.00 40 A 7.51 3.84 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 41 E 7.90 3.82 0.00 2.06 1.98 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 2.58 2.37 0.00 42 K 7.33 3.61 0.00 1.57 1.75 0.00 1.53 0.00 0.00 1.40 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.26 7.81 43 R 7.81 3.92 0.00 1.99 2.05 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 44 K 7.86 3.97 0.00 2.01 1.86 0.00 1.91 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 45 K 8.34 3.93 0.00 1.90 1.94 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.47 7.81 46 A 8.14 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.33 3.94 0.00 3.24 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.17 4.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.82 4.36 0.00 2.81 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 50 F 8.12 4.16 0.00 2.85 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 51 Y 7.81 4.47 0.00 3.09 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 52 R 7.72 4.09 0.00 1.97 1.99 0.00 3.23 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 53 N 7.82 5.05 0.00 2.69 2.72 0.00 0.00 6.77 7.46 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 54 Y 7.75 4.23 0.00 2.74 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 55 D 7.52 4.50 0.00 2.52 2.25 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 56 S 8.04 3.86 0.00 4.18 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 0.00 57 M 7.91 4.14 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 58 K 8.23 3.89 0.00 1.90 1.80 0.00 1.57 0.00 0.00 1.49 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 59 D 8.01 4.27 0.00 2.85 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 60 F 8.65 4.29 0.00 3.19 3.37 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 61 E 8.42 3.55 0.00 2.32 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 2.32 2.36 0.00 62 E 7.87 3.87 0.00 2.11 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 2.31 2.59 0.00 63 M 7.86 4.05 0.00 1.71 2.27 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 64 R 7.70 3.93 0.00 1.30 1.76 0.00 3.38 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.06 0.00 65 K 8.03 4.10 0.00 1.69 1.81 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 A 7.49 4.42 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 67 G 8.07 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.49 3.79 1.57 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.72 0.00 0.00 69 F 7.49 4.79 0.00 3.36 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.96 4.41 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.26 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 71 S 8.07 4.66 0.00 4.00 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 72 A 7.61 4.53 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.45 4.25 0.00 1.80 1.76 0.00 1.94 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.41 7.81