NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3681 8.1593 110.9401 61.3167 70.0906 173.9146 4 S 3.9824 8.6617 118.7937 60.4056 62.4156 171.5072 5 E 3.8282 8.4645 122.9624 59.3996 31.1892 178.8094 6 L 4.7101 8.6711 122.4759 53.6645 40.6699 177.2685 7 L 4.5085 7.3798 117.6315 54.5411 48.2769 176.1172 8 K 4.2096 9.4316 120.1623 59.4567 32.4798 177.9596 9 H 4.2930 8.1592 116.0075 59.0764 28.4831 177.6545 10 I 3.8134 7.7584 121.0931 64.2261 37.0042 177.4755 11 Y 4.3211 7.5786 119.4506 60.9849 38.6485 177.7488 12 D 4.1737 8.5893 120.0293 57.7360 40.9301 179.2593 13 I 3.8559 7.6897 119.6351 64.1889 37.0412 178.3972 14 N 4.3140 8.4351 117.8365 56.2121 38.3434 176.9151 15 L 3.7397 8.4413 122.6614 58.1858 42.0998 178.8052 16 S 4.0701 8.3567 115.2322 61.9955 62.8898 176.4375 17 Y 3.8881 8.1776 121.7054 60.6257 38.5675 177.8600 18 L 4.0023 8.4157 120.2005 58.3438 41.7770 178.9721 19 L 3.8382 8.1683 118.6863 58.0710 41.3552 179.1337 20 L 3.8656 7.9363 120.3447 58.6407 42.0797 179.1606 21 A 3.9271 7.8763 120.5095 55.0008 18.2521 179.1108 22 Q 3.9355 7.9713 118.3361 59.1570 29.0571 178.3798 23 R 4.0529 8.1992 119.7203 58.3523 29.5034 177.2576 24 L 4.4027 7.4343 118.8586 55.9577 43.1057 178.0277 25 I 4.7915 7.9349 117.7869 62.5364 37.5700 177.4604 26 V 3.8490 7.6876 113.7829 63.9394 31.8062 177.2713 27 Q 4.4184 7.5283 114.3497 54.5930 28.5433 173.8016 28 D 5.1851 6.4184 115.2751 52.4917 44.3851 176.0856 29 K 4.1711 8.3954 123.9950 58.0195 33.7528 177.8860 30 A 4.0020 8.0871 119.0300 55.6653 18.4518 179.4386 31 S 4.2166 9.1842 113.4101 61.7388 62.9060 176.7872 32 A 4.2408 8.2385 122.6078 55.0562 16.4864 178.8140 33 M 4.1869 8.4234 116.6049 56.8324 32.0352 177.6886 34 F 4.4462 8.4149 121.0983 59.9586 40.3607 177.8229 35 R 4.0552 8.2746 115.6444 58.4718 30.1451 177.3280 36 L 4.3928 7.7279 116.4343 54.3072 42.7371 177.7499 37 G 3.7612 7.7922 105.5771 45.2726 0.0000 173.0783 38 I 4.2602 6.8443 112.1795 59.3117 39.6782 174.8393 39 N 4.8652 8.0241 118.7999 51.6690 40.6723 174.2719 40 E 3.9015 8.6635 119.6096 59.4739 29.5209 178.0644 41 E 3.8142 8.2146 118.5025 59.7404 29.5719 179.3341 42 M 4.0333 8.5844 118.2515 58.2504 32.2695 178.1407 43 A 3.9525 8.0875 121.0098 55.4019 18.4982 179.4031 44 T 3.8728 8.5333 114.7714 67.4774 68.3880 176.7679 45 T 3.8430 7.6105 115.7717 66.7442 68.5183 176.4255 46 L 4.1279 8.0929 120.0891 57.3051 41.7095 178.7713 47 A 4.1075 8.4839 120.5011 53.3188 18.6175 179.0757 48 A 3.9822 7.8595 114.9246 52.3215 17.3974 179.0895 49 L 3.6276 9.2668 128.0529 55.7004 39.6177 174.8837 50 T 4.2283 8.9303 114.4494 60.6191 70.8162 174.9025 51 L 3.9189 8.4952 123.1464 58.4148 41.9505 177.2547 52 P 4.4462 0.0000 0.0000 65.4376 31.7678 178.1819 53 Q 4.1711 7.9296 116.6528 59.2558 28.6255 178.9879 54 M 4.0910 8.1358 119.6036 58.3606 32.3086 178.7144 55 V 4.0895 7.7344 116.6803 64.6820 31.4201 177.7123 56 K 4.1418 7.5706 117.1243 59.9370 32.3250 178.6333 57 L 4.1425 7.8555 117.1556 57.8468 41.7520 178.9198 58 A 4.2889 8.3411 119.7911 54.4614 19.5474 178.3783 59 E 4.3472 7.6289 117.5913 55.8625 27.2755 174.9426 60 T 4.6689 7.4446 116.1574 60.1386 71.0763 172.8121 61 N 4.5429 8.6632 121.3902 54.8540 39.3458 174.6237 62 Q 4.7475 7.7257 116.1123 53.5808 31.3275 175.3369 63 L 4.1538 8.2182 120.6451 55.1002 42.2463 177.5793 64 V 4.0981 8.1536 114.7413 61.1934 32.0012 175.6335 65 C 4.4839 7.2880 114.1357 56.3839 32.1925 173.1581 66 H 4.7327 8.2739 118.8764 54.3201 29.6178 175.2289 67 F 4.6226 8.5852 124.7636 57.1976 38.3967 176.3093 68 R 3.8344 8.1044 125.8059 58.7707 29.7853 177.8379 69 F 4.7145 5.5378 119.8049 56.1815 37.8442 176.6324 70 D 4.6906 7.4383 125.9980 51.6260 39.5727 179.8295 71 S 3.4291 9.0248 108.3931 58.7808 63.1622 173.4925 72 H 4.2270 9.9052 112.1715 56.4519 27.2265 174.9179 73 Q 4.5847 7.9139 117.6416 56.2585 31.1579 178.1291 74 T 3.8370 7.6555 113.3162 66.4779 68.5086 176.4096 75 I 3.5485 7.6343 119.0554 64.1510 38.3212 177.5909 76 T 4.0730 7.6798 116.3991 66.1650 68.2892 176.0560 77 Q 4.1062 8.3100 120.3215 57.7113 29.0591 176.2327 78 L 4.2323 7.2408 123.5541 55.3878 42.1753 176.0250 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 3 T 8.16 4.37 4.25 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 1.22 0.00 0.00 4 S 8.66 3.98 0.00 4.06 4.03 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 0.00 0.00 0.00 5 E 8.46 3.83 0.00 2.03 1.91 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 2.49 2.38 0.00 6 L 8.67 4.71 0.00 1.65 1.68 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.38 4.51 0.00 1.76 1.73 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 K 9.43 4.21 0.00 1.85 1.79 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 H 8.16 4.29 0.00 3.24 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.76 3.81 1.93 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 1.55 0.76 1.00 0.00 0.00 11 Y 7.58 4.32 0.00 3.15 3.20 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 12 D 8.59 4.17 0.00 2.88 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 13 I 7.69 3.86 1.87 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 1.54 0.71 0.91 0.00 0.00 14 N 8.44 4.31 0.00 2.85 2.85 0.00 0.00 6.59 7.23 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 15 L 8.44 3.74 0.00 0.98 1.42 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.36 4.07 0.00 4.04 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 17 Y 8.18 3.89 0.00 3.22 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 18 L 8.42 4.00 0.00 1.88 1.72 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.17 3.84 0.00 1.77 1.65 0.88 0.54 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 20 L 7.94 3.87 0.00 1.73 1.67 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.88 3.93 1.20 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 22 Q 7.97 3.94 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 23 R 8.20 4.05 0.00 1.75 1.98 0.00 3.34 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 24 L 7.43 4.40 0.00 1.79 1.77 0.90 0.88 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 25 I 7.93 4.79 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 1.29 0.57 0.90 0.00 0.00 26 V 7.69 3.85 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 27 Q 7.53 4.42 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 28 D 6.42 5.19 0.00 2.71 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 29 K 8.40 4.17 0.00 1.82 1.72 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 30 A 8.09 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 4.22 0.00 3.99 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 32 A 8.24 4.24 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 33 M 8.42 4.19 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.56 0.00 34 F 8.41 4.45 0.00 3.05 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 35 R 8.27 4.06 0.00 1.88 2.03 0.00 3.50 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.65 0.00 36 L 7.73 4.39 0.00 1.74 1.76 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.79 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.84 4.26 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 1.37 0.71 0.94 0.00 0.00 39 N 8.02 4.87 0.00 3.00 3.01 0.00 0.00 5.54 7.66 0.00 0.00 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 E 8.66 3.90 0.00 2.06 1.92 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 2.38 2.41 0.00 41 E 8.21 3.81 0.00 2.05 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 0.00 2.41 2.40 0.00 42 M 8.58 4.03 0.00 2.39 2.11 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 2.61 2.60 0.00 43 A 8.09 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 3.87 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 45 T 7.61 3.84 4.39 0.00 0.00 0.00 0.00 0.00 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 46 L 8.09 4.13 0.00 1.82 1.73 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.48 4.11 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 48 A 7.86 3.98 1.12 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 0.00 0.00 49 L 9.27 3.63 0.00 1.83 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.93 4.23 4.25 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 1.22 0.00 0.00 51 L 8.50 3.92 0.00 1.67 1.79 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.45 0.00 2.08 2.11 0.00 3.72 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 2.04 2.19 0.00 53 Q 7.93 4.17 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 54 M 8.14 4.09 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.55 0.00 55 V 7.73 4.09 2.28 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 1.21 0.00 0.00 1.11 0.00 0.00 56 K 7.57 4.14 0.00 2.07 1.86 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.63 7.81 57 L 7.86 4.14 0.00 1.76 1.76 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.34 4.29 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.63 4.35 0.00 2.14 1.97 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 0.00 2.29 2.16 0.00 60 T 7.44 4.67 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 1.51 0.00 0.00 61 N 8.66 4.54 0.00 2.73 2.83 0.00 0.00 6.81 7.08 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 62 Q 7.73 4.75 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 63 L 8.22 4.15 0.00 1.58 1.51 0.89 0.90 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 64 V 8.15 4.10 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 0.77 0.00 0.00 0.86 0.00 0.00 65 C 7.29 4.48 0.00 2.23 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 66 H 8.27 4.73 0.00 3.12 3.20 0.00 5.69 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 67 F 8.59 4.62 0.00 3.02 3.03 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 0.00 0.00 0.00 68 R 8.10 3.83 0.00 1.61 1.81 0.00 2.60 0.00 0.00 2.92 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.60 0.00 69 F 5.54 4.71 0.00 2.20 2.71 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 70 D 7.44 4.69 0.00 2.83 2.65 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 0.00 0.00 0.00 0.00 71 S 9.02 3.43 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 H 9.91 4.23 0.00 3.39 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.91 4.58 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 74 T 7.66 3.84 4.45 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 1.27 0.00 0.00 75 I 7.63 3.55 2.24 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.94 1.02 0.00 0.00 76 T 7.68 4.07 4.40 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 1.20 0.00 0.00 77 Q 8.31 4.11 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 78 L 7.24 4.23 0.00 1.46 1.31 -0.65 0.94 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