NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3825 8.2493 123.5822 52.0895 19.9175 176.0413 2 V 4.3067 8.1879 120.8685 57.9871 34.3864 171.9775 3 Q 3.9620 9.3953 120.7587 57.0993 29.6191 179.2479 4 Q 4.3670 8.5671 118.0424 56.9346 29.8074 175.8974 5 N 4.9597 7.7189 113.5591 50.4954 42.1874 173.8048 6 K 4.0696 8.6872 122.5746 55.4110 32.4584 174.7951 7 P 4.4095 0.0000 0.0000 62.8801 32.1693 176.7263 8 T 4.3711 8.1391 111.3292 60.8973 71.5065 175.9361 9 R 3.9208 8.5048 119.2103 59.6298 29.1402 178.8762 10 S 4.0463 8.0076 113.1632 61.2005 62.4995 175.9627 11 K 3.9244 8.1219 122.3489 59.9646 31.6725 177.7015 12 R 3.9048 8.3215 117.6634 59.1287 30.0571 178.6614 13 G 4.1778 8.2980 104.0507 47.9453 0.0000 175.4636 14 M 3.9987 8.1879 122.1231 58.0621 31.8360 178.6526 15 R 4.0634 8.1622 117.7069 59.4866 30.3944 177.6245 16 R 4.9703 8.0337 117.0033 55.7889 30.1825 178.1983 17 S 4.1365 8.2470 115.3061 60.5814 63.2056 174.3644 18 H 4.9683 8.0258 119.1854 55.8065 29.2822 174.2223 19 D 4.7795 8.2093 117.7260 53.9777 42.1207 176.9815 20 A 4.4428 7.6342 122.2009 51.5592 19.2885 177.2862 21 L 4.3946 8.1509 120.3741 54.3722 42.9290 176.4323 22 T 4.4386 8.0658 116.5710 61.6683 69.8191 175.2102 23 A 4.1686 8.3467 129.2151 51.9810 19.3174 177.4833 24 V 3.5990 8.2087 120.4287 65.7717 32.0195 178.4994 25 T 3.6427 7.9414 109.8598 61.9031 68.2897 172.2676 26 S 4.5732 7.8599 114.8375 57.6555 62.3760 173.0453 27 L 4.9229 7.5301 118.9125 55.1664 42.2292 175.3373 28 S 4.7066 8.4397 113.7845 57.1436 67.2321 172.4025 29 V 4.7134 8.1489 119.5306 61.1796 32.6856 174.7712 30 D 4.5737 8.9513 127.6820 53.4687 41.7311 177.0920 31 K 3.6840 8.8630 126.0507 60.1395 32.7339 177.9320 32 T 4.1572 7.8349 115.5894 64.4852 69.1152 174.8168 33 S 4.5609 7.6287 113.7872 55.4397 64.9069 173.1960 34 G 3.1710 8.2985 105.3960 46.2567 0.0000 173.7486 35 E 3.4524 8.2360 116.5717 56.4809 27.2093 175.3345 36 K 5.0467 8.2523 123.9410 56.2525 33.8557 175.7965 37 H 4.6227 8.2358 114.0537 54.8659 32.2764 173.3981 38 L 4.3340 8.1635 120.1404 54.2153 42.6908 176.6039 39 R 3.8838 7.6958 122.9571 58.6116 30.2859 175.5575 40 H 5.0484 9.1725 119.4293 57.0889 26.0222 173.9036 41 H 4.7639 8.2033 114.8943 53.5170 32.2028 173.6107 42 I 3.9727 7.8113 121.7811 61.2607 37.7339 176.5227 43 T 4.2688 8.5521 114.0778 60.5974 69.6330 175.1032 44 A 3.9391 8.5612 124.1125 56.2738 18.2452 178.8488 45 D 4.5158 9.7576 114.3410 55.2299 41.1746 176.7793 46 G 3.7084 8.3740 107.4279 46.5497 0.0000 173.1872 47 Y 4.5832 8.1097 115.8207 56.3900 40.2697 175.6314 48 Y 5.0735 8.2845 123.3222 57.3373 40.3899 174.6834 49 R 3.8494 8.9967 128.5084 56.8049 26.4594 177.0936 50 G 3.9348 8.8569 107.3958 45.9918 0.0000 168.2521 51 R 3.7420 8.4318 124.8107 55.8528 31.2737 176.6434 52 K 3.8670 8.2481 127.1958 54.4799 30.5073 175.6113 53 V 3.6244 7.4606 116.1251 60.5914 32.6166 175.9484 54 I 2.9341 8.3598 116.0885 62.3010 34.3833 174.2901 55 A 4.0391 8.5825 127.7488 55.1510 18.5372 177.2416 56 K 4.1573 7.8473 117.7059 56.7720 32.1889 177.1385 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 8.25 4.38 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 2 V 8.19 4.31 2.08 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 0.68 0.00 0.00 0.93 0.00 0.00 3 Q 9.40 3.96 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 4 Q 8.57 4.37 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 5 N 7.72 4.96 0.00 2.63 2.66 0.00 0.00 6.83 7.61 0.00 0.00 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 8.69 4.07 0.00 1.71 1.75 0.00 1.61 0.00 0.00 2.36 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 7 P 0.00 4.41 0.00 2.08 1.97 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 T 8.14 4.37 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 9 R 8.50 3.92 0.00 2.02 2.24 0.00 3.13 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 10 S 8.01 4.05 0.00 3.91 3.90 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 0.00 0.00 0.00 11 K 8.12 3.92 0.00 1.91 1.88 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 R 8.32 3.90 0.00 1.99 2.02 0.00 3.35 0.00 0.00 3.23 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 13 G 8.30 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 0.00 0.00 0.00 0.00 14 M 8.19 4.00 0.00 2.06 2.20 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 2.74 2.54 0.00 15 R 8.16 4.06 0.00 1.85 2.17 0.00 3.25 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 16 R 8.03 4.97 0.00 2.10 1.93 0.00 3.20 0.00 0.00 3.31 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.48 0.00 17 S 8.25 4.14 0.00 3.86 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 18 H 8.03 4.97 0.00 3.15 3.32 0.00 5.66 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 19 D 8.21 4.78 0.00 2.96 2.66 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 0.00 0.00 0.00 0.00 20 A 7.63 4.44 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 21 L 8.15 4.39 0.00 1.65 1.61 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.07 4.44 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 23 A 8.35 4.17 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 24 V 8.21 3.60 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 0.98 0.00 0.00 0.92 0.00 0.00 25 T 7.94 3.64 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 1.23 0.00 0.00 26 S 7.86 4.57 0.00 3.87 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 27 L 7.53 4.92 0.00 1.84 1.60 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.44 4.71 0.00 3.88 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 29 V 8.15 4.71 2.09 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 0.91 0.00 0.00 0.94 0.00 0.00 30 D 8.95 4.57 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.86 3.68 0.00 1.89 1.94 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.48 7.81 32 T 7.83 4.16 4.32 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 1.11 0.00 0.00 33 S 7.63 4.56 0.00 3.57 2.74 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 34 G 8.30 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 3.45 0.00 2.19 2.05 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 2.31 2.24 0.00 36 K 8.25 5.05 0.00 1.66 1.76 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 37 H 8.24 4.62 0.00 3.28 3.38 0.00 5.46 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.16 4.33 0.00 1.42 1.50 0.61 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.70 3.88 0.00 1.73 1.81 0.00 3.29 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.39 0.00 40 H 9.17 5.05 0.00 3.44 3.45 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.20 4.76 0.00 3.25 3.14 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.81 3.97 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.89 0.00 0.00 43 T 8.55 4.27 4.32 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 1.31 0.00 0.00 44 A 8.56 3.94 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 45 D 9.76 4.52 0.00 2.93 2.94 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 0.00 0.00 0.00 46 G 8.37 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 47 Y 8.11 4.58 0.00 3.11 2.93 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 48 Y 8.28 5.07 0.00 2.85 2.79 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 49 R 9.00 3.85 0.00 1.68 1.84 0.00 2.76 0.00 0.00 2.46 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 50 G 8.86 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 51 R 8.43 3.74 0.00 2.04 1.90 0.00 3.16 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 52 K 8.25 3.87 0.00 1.13 1.56 0.00 1.37 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.15 1.27 7.81 53 V 7.46 3.62 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 0.83 0.00 0.00 1.02 0.00 0.00 54 I 8.36 2.93 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.88 0.00 0.00 55 A 8.58 4.04 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 56 K 7.85 4.16 0.00 1.74 1.72 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81