NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6499 8.4249 119.2043 53.7610 40.1378 173.7813 2 S 4.6843 8.3701 117.9213 58.4244 63.9117 168.5102 3 V 5.1226 8.5515 113.2795 60.0183 36.1432 174.4428 4 R 4.6086 8.4729 116.9186 55.5093 33.1155 173.2798 5 D 4.9363 8.2870 120.1375 53.2762 42.3451 175.6935 6 A 2.5800 6.6573 123.1714 50.8201 23.9262 174.3499 7 Y 4.8869 7.8793 116.4220 57.3749 38.8602 175.9579 8 I 4.2714 8.3993 124.7368 61.1092 38.9497 174.3717 9 A 5.1533 8.6177 129.0594 50.5264 22.8390 175.1334 10 D 4.8596 8.2008 118.7592 52.1222 41.7506 177.2092 11 S 4.3162 8.5057 112.4274 60.4057 63.3015 173.9960 12 H 4.5472 8.6661 118.5529 55.0476 28.8876 174.1125 13 N 4.2910 7.7695 117.6496 55.0508 37.6974 172.6013 14 C 4.8293 7.9123 112.6699 54.5238 42.8594 174.4885 15 V 4.3452 7.9849 116.9464 61.6172 32.8395 175.0720 16 Y 4.5023 8.5592 119.2942 56.4638 39.0996 175.8371 17 E 4.7104 8.8542 124.3034 56.6521 30.5499 175.4674 18 C 4.7440 8.4497 114.1999 54.1415 44.5870 173.6141 19 A 4.6480 8.3947 122.0581 52.0663 21.1140 176.7535 20 R 5.0278 7.5945 113.8374 53.6241 34.3463 176.0303 21 N 4.6462 9.1483 118.8074 56.5318 38.5860 177.5439 22 E 4.0143 8.3401 119.6132 59.5898 29.5578 178.4428 23 Y 4.1399 7.7491 118.1212 61.1723 38.7466 177.8315 24 C 4.0669 8.2164 116.7994 59.7588 41.0480 175.3702 25 N 4.2710 8.3289 118.8193 56.5720 38.5398 176.4350 26 D 4.1895 8.1277 119.3965 57.2199 41.5013 177.8480 27 L 3.6457 7.5805 120.7650 58.2390 41.9714 178.3626 28 C 4.1941 8.2082 116.8187 60.2913 38.8766 176.3272 29 T 4.2334 8.2737 113.0788 63.9843 68.1458 176.4465 30 K 4.1264 8.0144 120.3444 58.7037 32.6705 177.8115 31 N 4.7533 7.1961 115.7865 52.9386 38.8457 175.7637 32 G 3.8591 7.9582 109.7664 45.0375 0.0000 174.2529 33 A 4.7498 7.6149 122.3495 51.0396 19.2002 178.5980 34 K 4.0423 8.5946 119.4943 59.2208 32.4811 177.2572 35 S 4.6400 7.4900 111.3294 58.4014 65.8611 174.5015 36 G 4.4789 9.2984 106.3150 46.2375 0.0000 171.9636 37 Y 5.0474 8.1309 117.5592 55.8074 42.0421 172.7243 38 C 4.5985 9.2614 121.1140 55.8855 45.9050 172.5817 39 Q 4.7286 8.6287 125.6403 54.4571 29.6473 176.4464 40 W 4.5713 9.2997 123.8850 57.1660 30.0049 176.7881 41 V 4.5644 7.1984 117.1558 59.8894 33.8598 174.1721 42 G 4.0002 8.2925 109.3048 45.5286 0.0000 173.0739 43 K 3.7196 9.1339 119.5975 59.1326 31.9295 177.1814 44 Y 4.6720 7.9634 113.1808 57.3660 38.8606 177.3828 45 G 3.8991 7.9363 108.2782 44.5961 0.0000 172.8455 46 N 4.7648 8.9722 119.2831 53.3134 39.6280 176.1297 47 G 4.4654 8.3968 114.5992 46.2771 0.0000 171.0987 48 C 4.9534 8.5480 118.8854 56.3882 42.8272 172.6156 49 W 4.8445 8.7894 133.7321 55.6257 32.9017 173.6398 50 C 5.2511 8.3283 124.4242 55.1689 43.8073 172.7033 51 I 4.6330 8.5012 123.4931 59.9088 38.7995 175.9793 52 E 3.7162 9.0382 127.8723 57.2671 27.5065 174.4169 53 L 4.3885 7.9866 121.5393 53.9405 43.7362 175.2639 54 P 4.8757 0.0000 0.0000 62.4871 32.5270 176.5226 55 D 4.6622 8.7862 121.4514 54.3441 39.3192 176.5866 56 N 4.6070 8.1924 115.6323 53.2128 38.2089 174.7509 57 V 4.3328 7.2512 119.3815 60.3661 33.6586 173.4732 58 P 4.6546 0.0000 0.0000 62.5602 32.5359 175.1036 59 I 5.0080 7.9549 114.6025 58.6884 41.1143 174.7298 60 R 3.9498 8.6358 124.2188 56.3189 30.1143 176.1979 61 V 4.5291 7.9805 118.6358 58.2665 34.9941 173.5320 62 P 4.3778 0.0000 0.0000 63.8562 31.8932 175.9947 63 G 3.7514 8.1464 106.7663 44.1411 0.0000 172.8235 64 K 4.4879 8.2740 119.0992 54.8028 35.1885 175.8938 65 C 4.7123 8.7063 119.4406 55.3505 43.9145 173.0016 66 H 4.5101 8.7113 122.7135 55.7119 28.1483 173.2712 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 N 8.42 4.65 0.00 2.70 2.78 0.00 0.00 6.99 6.75 0.00 0.00 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 S 8.37 4.68 0.00 3.88 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 3 V 8.55 5.12 1.93 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 0.67 0.00 0.00 0.98 0.00 0.00 4 R 8.47 4.61 0.00 1.79 1.94 0.00 2.88 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.67 0.00 5 D 8.29 4.94 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.66 2.58 0.94 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 7 Y 7.88 4.89 0.00 2.86 2.90 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 8 I 8.40 4.27 1.73 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.77 0.00 0.00 9 A 8.62 5.15 1.18 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 10 D 8.20 4.86 0.00 2.84 2.60 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 11 S 8.51 4.32 0.00 3.90 3.96 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 0.00 0.00 0.00 12 H 8.67 4.55 0.00 3.21 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.77 4.29 0.00 2.75 2.77 0.00 0.00 7.00 7.50 0.00 0.00 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 C 7.91 4.83 0.00 3.04 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 15 V 7.98 4.35 2.22 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 0.34 0.00 0.00 0.93 0.00 0.00 16 Y 8.56 4.50 0.00 3.00 3.09 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 0.00 0.00 0.00 0.00 17 E 8.85 4.71 0.00 1.86 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 2.35 2.32 0.00 18 C 8.45 4.74 0.00 3.00 3.15 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 0.00 0.00 0.00 0.00 19 A 8.39 4.65 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 20 R 7.59 5.03 0.00 1.96 2.11 0.00 3.22 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 21 N 9.15 4.65 0.00 2.90 3.02 0.00 0.00 7.06 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 22 E 8.34 4.01 0.00 2.15 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 0.00 2.46 2.50 0.00 23 Y 7.75 4.14 0.00 3.12 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 24 C 8.22 4.07 0.00 3.13 3.02 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 0.00 0.00 0.00 25 N 8.33 4.27 0.00 2.95 2.82 0.00 0.00 6.84 8.06 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 26 D 8.13 4.19 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 3.65 0.00 1.18 1.37 0.35 -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 0.00 0.00 0.00 0.00 28 C 8.21 4.19 0.00 2.92 2.99 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 29 T 8.27 4.23 4.20 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 1.28 0.00 0.00 30 K 8.01 4.13 0.00 1.88 1.96 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.37 7.81 31 N 7.20 4.75 0.00 2.93 2.77 0.00 0.00 7.27 7.53 0.00 0.00 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 7.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.61 4.75 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 34 K 8.59 4.04 0.00 1.76 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 35 S 7.49 4.64 0.00 4.02 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 36 G 9.30 4.48 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 0.00 37 Y 8.13 5.05 0.00 3.29 3.07 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 0.00 0.00 0.00 0.00 38 C 9.26 4.60 0.00 2.85 2.34 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 39 Q 8.63 4.73 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.10 0.00 40 W 9.30 4.57 0.00 3.49 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 41 V 7.20 4.56 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 0.76 0.00 0.00 0.98 0.00 0.00 42 G 8.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.13 3.72 0.00 1.71 1.84 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.42 1.19 7.81 44 Y 7.96 4.67 0.00 2.22 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 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 0.00 0.00 0.00 46 N 8.97 4.76 0.00 2.81 2.80 0.00 0.00 6.66 7.98 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 47 G 8.40 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.55 4.95 0.00 2.93 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 49 W 8.79 4.84 0.00 2.77 1.78 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 C 8.33 5.25 0.00 2.56 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 51 I 8.50 4.63 1.91 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.14 0.97 0.00 0.00 52 E 9.04 3.72 0.00 2.13 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 2.22 2.23 0.00 53 L 7.99 4.39 0.00 1.59 1.51 0.80 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.88 0.00 2.23 1.92 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 55 D 8.79 4.66 0.00 2.66 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 56 N 8.19 4.61 0.00 2.83 2.94 0.00 0.00 5.94 7.68 0.00 0.00 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 V 7.25 4.33 2.13 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 0.76 0.00 0.00 0.91 0.00 0.00 58 P 0.00 4.65 0.00 2.28 1.92 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 59 I 7.95 5.01 1.88 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 1.19 0.63 0.81 0.00 0.00 60 R 8.64 3.95 0.00 1.62 1.70 0.00 2.85 0.00 0.00 2.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 61 V 7.98 4.53 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 0.90 0.00 0.00 62 P 0.00 4.38 0.00 2.09 2.08 0.00 3.71 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 2.10 2.25 0.00 63 G 8.15 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.49 0.00 1.84 1.80 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.44 7.81 65 C 8.71 4.71 0.00 2.82 2.96 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 0.00 0.00 0.00 66 H 8.71 4.51 0.00 3.20 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00