NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4113 8.3344 116.7949 58.6021 63.4778 172.5358 3 I 4.3456 6.9554 121.5412 56.9830 40.6569 174.6364 4 S 4.1346 8.9578 121.5736 60.7219 64.0369 173.8213 5 A 3.9633 7.1676 120.9760 52.6638 17.9316 177.5501 6 R 4.0728 7.9386 121.9922 57.8003 30.7197 176.3949 7 N 4.8974 7.8538 116.1253 51.5909 40.5087 174.2540 8 Q 4.8831 8.6237 122.8357 54.2395 32.3787 174.7629 9 L 4.7655 9.0284 125.1776 52.6209 44.7563 176.3875 10 K 4.6232 8.8226 123.9091 56.4150 33.3653 176.4490 11 G 4.0996 8.7588 110.0884 45.7972 0.0000 171.2318 12 K 5.1606 8.4100 120.6927 54.0564 35.1009 175.6271 13 V 4.2234 8.8274 128.0578 63.5792 31.9272 176.3664 14 V 4.3720 8.7912 120.5018 61.2392 33.5177 176.0984 15 G 4.3046 7.8015 107.1434 44.8873 0.0000 171.8802 16 L 5.1172 8.2289 124.2804 53.5316 45.4925 174.5757 17 K 4.5372 9.1862 127.0849 54.7805 35.6197 174.6747 18 K 4.6182 8.8544 127.3331 55.0263 33.0342 176.3729 19 G 4.0383 8.4907 120.1469 45.4101 0.0000 173.4295 20 V 3.8849 8.4962 118.6898 64.7762 32.4522 177.5774 21 V 4.3446 7.8078 118.3150 63.5442 34.1898 175.2235 22 T 5.2660 7.7787 108.6925 59.9438 72.3821 172.8333 23 A 5.0755 8.8984 121.8918 50.4803 23.2848 174.5767 24 E 5.0359 9.2690 121.8094 54.4098 32.1211 174.7906 25 V 4.7663 8.7901 127.0499 61.0471 34.4882 174.0567 26 V 4.8189 8.7119 127.8893 61.1579 33.9290 174.0102 27 L 5.1551 9.1226 128.1167 52.9648 44.7940 174.9546 28 E 4.9617 8.9147 124.6248 55.0170 31.2195 175.3056 29 I 4.7566 8.3726 122.2070 58.5942 40.7631 174.3520 30 A 3.9089 8.3571 121.9741 54.4901 18.3402 178.8626 31 G 3.8711 8.9636 109.0955 45.4435 0.0000 174.5808 32 G 3.9412 7.8661 107.6237 44.8979 0.0000 173.8896 33 N 4.5716 7.6365 116.3753 53.2832 39.8420 174.0204 34 K 5.0604 8.5545 120.6427 54.7459 35.0460 175.4193 35 I 4.5029 8.9686 125.6072 59.8438 39.6605 174.5702 36 T 5.0240 8.5362 123.1807 61.7707 70.7441 173.5941 37 S 4.7289 9.1849 120.8803 56.4185 65.7960 172.4881 38 I 4.9742 8.4956 127.3564 59.7417 39.1898 174.4579 39 I 4.8529 8.3333 120.8466 58.7437 41.6988 174.8132 40 S 4.6235 8.4941 115.7108 57.9388 63.8701 174.8467 41 L 3.9507 8.7661 124.7766 58.4866 41.6963 179.1693 42 D 4.3683 8.1021 118.2956 57.7654 40.8130 179.0072 43 S 4.1289 8.1498 115.4444 61.4353 62.7733 176.9197 44 V 3.6218 7.7085 120.7409 65.7601 31.3309 178.0527 45 E 3.9795 8.2009 118.4951 59.3774 29.2609 179.0626 46 E 4.0417 8.1924 117.3689 59.1342 29.6651 178.2942 47 L 4.1123 8.0473 117.5203 55.1550 41.9619 177.0312 48 G 3.8317 7.7381 106.0748 46.2099 0.0000 174.2633 49 V 3.7300 7.5239 119.2210 62.7007 32.3241 175.2151 50 K 4.6223 8.1867 124.0235 54.5277 36.1174 174.9992 51 E 4.1084 8.5941 122.3092 58.1221 29.8453 177.1909 52 G 3.9695 9.0642 114.8892 45.0548 0.0000 173.7336 53 A 4.1810 7.8127 121.8255 52.0081 19.7950 176.5816 54 E 4.8599 8.6568 120.5218 55.3126 30.6641 175.2829 55 L 4.9405 8.6956 124.1068 53.4416 46.9925 175.2574 56 T 5.0654 8.3567 114.9384 61.9507 71.5592 174.0272 57 A 4.4364 9.1403 128.3986 51.2724 20.3515 176.2787 58 V 4.8939 8.3343 121.3517 61.0420 33.8990 174.8971 59 V 4.4894 8.6609 126.9107 60.7143 35.0913 174.6698 60 K 4.1977 8.6620 128.6375 56.1293 33.2310 177.6871 61 S 4.1617 8.8148 121.8904 61.9819 62.9007 176.3656 62 T 4.1198 7.8652 107.8057 63.2992 68.6281 174.3007 63 D 4.6488 8.0345 121.2072 54.1798 41.5607 176.1226 64 V 4.0814 7.4511 119.9662 61.6698 32.2076 175.3227 65 M 4.5439 8.3804 126.5326 53.9488 34.0047 175.0275 66 I 4.5285 8.0106 120.0037 59.3746 39.9283 175.0883 67 L 4.5185 8.2643 125.5338 53.9025 44.3461 175.9047 68 A 4.0789 8.7233 127.3327 52.8213 18.6220 176.6926 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 S 8.33 4.41 0.00 3.88 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 3 I 6.96 4.35 1.87 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 1.47 1.57 0.91 0.00 0.00 4 S 8.96 4.13 0.00 4.02 3.99 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 0.00 0.00 0.00 0.00 5 A 7.17 3.96 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 6 R 7.94 4.07 0.00 1.85 1.99 0.00 3.13 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 7 N 7.85 4.90 0.00 2.85 2.74 0.00 0.00 6.61 7.78 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 8 Q 8.62 4.88 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 9 L 9.03 4.77 0.00 1.52 1.53 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.82 4.62 0.00 1.64 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 G 8.76 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.41 5.16 0.00 1.83 1.63 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.49 7.81 13 V 8.83 4.22 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 1.01 0.00 0.00 0.96 0.00 0.00 14 V 8.79 4.37 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 0.76 0.00 0.00 0.96 0.00 0.00 15 G 7.80 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 0.00 0.00 0.00 16 L 8.23 5.12 0.00 1.60 1.50 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.19 4.54 0.00 1.81 1.58 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.40 7.81 18 K 8.85 4.62 0.00 1.67 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 G 8.49 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 0.00 0.00 0.00 20 V 8.50 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 21 V 7.81 4.34 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 1.05 0.00 0.00 0.93 0.00 0.00 22 T 7.78 5.27 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 1.21 0.00 0.00 23 A 8.90 5.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.27 5.04 0.00 2.01 1.80 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 2.21 2.22 0.00 25 V 8.79 4.77 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 0.97 0.00 0.00 0.93 0.00 0.00 26 V 8.71 4.82 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 0.97 0.00 0.00 0.93 0.00 0.00 27 L 9.12 5.16 0.00 1.56 1.52 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.91 4.96 0.00 2.05 1.81 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 2.23 2.24 0.00 29 I 8.37 4.76 1.87 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 1.38 1.01 0.95 0.00 0.00 30 A 8.36 3.91 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 31 G 8.96 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.87 3.94 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 0.00 0.00 0.00 33 N 7.64 4.57 0.00 2.74 2.75 0.00 0.00 6.78 8.24 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 34 K 8.55 5.06 0.00 1.58 1.69 0.00 1.59 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.49 7.81 35 I 8.97 4.50 1.87 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 1.23 0.91 0.91 0.00 0.00 36 T 8.54 5.02 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 37 S 9.18 4.73 0.00 3.83 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 38 I 8.50 4.97 1.87 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 1.40 0.78 0.91 0.00 0.00 39 I 8.33 4.85 1.87 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 1.28 0.73 0.91 0.00 0.00 40 S 8.49 4.62 0.00 4.02 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 41 L 8.77 3.95 0.00 1.77 1.71 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.10 4.37 0.00 2.72 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 43 S 8.15 4.13 0.00 4.00 3.91 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 44 V 7.71 3.62 2.18 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.20 3.98 0.00 2.20 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 2.32 2.50 0.00 46 E 8.19 4.04 0.00 1.95 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 0.00 2.34 2.46 0.00 47 L 8.05 4.11 0.00 1.73 1.72 0.92 0.80 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 48 G 7.74 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 49 V 7.52 3.73 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 0.79 0.00 0.00 0.93 0.00 0.00 50 K 8.19 4.62 0.00 1.80 1.62 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.66 7.81 51 E 8.59 4.11 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 2.29 2.47 0.00 52 G 9.06 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.81 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.86 0.00 1.86 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 2.25 2.32 0.00 55 L 8.70 4.94 0.00 1.55 1.53 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.36 5.07 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 1.22 0.00 0.00 57 A 9.14 4.44 1.22 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 0.00 0.00 58 V 8.33 4.89 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 0.85 0.00 0.00 0.93 0.00 0.00 59 V 8.66 4.49 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 0.88 0.00 0.00 0.93 0.00 0.00 60 K 8.66 4.20 0.00 1.83 1.65 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 61 S 8.81 4.16 0.00 3.92 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 62 T 7.87 4.12 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 63 D 8.03 4.65 0.00 2.87 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 64 V 7.45 4.08 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 0.77 0.00 0.00 0.93 0.00 0.00 65 M 8.38 4.54 0.00 2.04 1.98 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 2.53 2.54 0.00 66 I 8.01 4.53 1.87 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 1.30 0.88 0.91 0.00 0.00 67 L 8.26 4.52 0.00 1.53 1.51 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.72 4.08 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