NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4608 8.1633 118.3255 55.3211 33.2436 173.9045 2 Q 4.8896 8.2204 118.5163 52.9962 31.2585 173.1819 3 I 4.3734 8.8434 115.4644 59.4014 42.2068 173.4744 4 F 5.3605 9.1634 121.9830 55.9842 41.9574 175.2600 5 V 4.8566 9.1554 122.0257 61.1623 33.9650 174.0962 6 K 4.8126 8.8831 130.8161 55.7833 33.5530 176.4757 7 T 4.3277 7.9680 121.5080 61.7108 70.6511 174.9016 8 L 4.1643 8.2002 121.4672 58.6397 41.2864 175.3790 9 T 4.3830 7.8786 110.5632 60.5915 68.2281 178.2376 10 G 4.0127 7.9682 114.1488 46.6788 0.0000 174.8936 11 K 3.8280 7.4345 122.1750 56.4277 32.7147 181.9073 12 T 4.6832 8.5614 123.9358 61.3363 69.1192 174.3313 13 I 4.5248 8.4453 121.0446 59.6427 40.1695 174.8239 14 T 5.1134 8.4851 120.4937 62.1291 70.7191 173.8374 15 L 4.7912 8.8325 124.5862 52.8812 45.8880 175.3708 16 E 4.5091 8.7384 122.9540 55.1158 30.4917 174.7957 17 V 4.6291 8.3851 120.1788 59.4429 35.6534 174.7687 18 E 4.6704 8.4770 119.4630 54.1624 33.0040 175.6020 19 P 4.1275 0.0000 0.0000 65.0179 32.4758 178.1228 20 S 4.8558 7.7410 112.8164 58.4398 63.7351 174.1317 21 D 4.6895 8.2858 121.2026 53.8590 41.6335 177.2735 22 T 4.4701 8.4951 113.5893 61.3915 70.0428 175.2928 23 I 3.8886 8.3859 124.5835 64.9160 36.6477 179.1742 24 E 4.0710 8.2492 118.6049 61.0359 29.2685 181.2263 25 N 4.6453 7.8196 115.5037 56.5584 38.6005 177.7126 26 V 3.5929 7.4506 119.4707 65.8893 31.5661 178.1862 27 K 4.3138 8.4614 119.3959 58.9402 31.8431 179.1652 28 A 3.9988 7.7449 119.7811 54.8940 18.1269 179.9132 29 K 3.9443 7.7656 117.3704 59.6154 32.0925 179.6714 30 I 3.7030 7.9500 120.2294 64.3398 36.9383 178.0285 31 Q 4.2713 8.1917 121.9057 58.8841 28.5778 178.4917 32 D 4.4026 8.0336 121.0908 57.4367 40.8944 178.7866 33 K 4.3925 7.6333 122.5174 57.5296 32.0931 179.8921 34 E 4.7251 8.3722 114.5944 55.2458 31.4214 176.7433 35 G 3.9415 8.4122 106.8590 46.2404 0.0000 173.4336 36 I 4.2624 7.0230 121.7474 58.4489 38.1210 173.8404 37 P 4.3538 0.0000 0.0000 62.2213 32.1437 175.6000 38 P 4.2131 0.0000 0.0000 66.5634 31.3553 178.6138 39 D 4.6459 8.1006 113.9588 54.8244 39.9174 178.4543 40 Q 4.7068 8.1778 117.0376 57.6380 31.1056 175.8731 41 Q 4.8899 8.0231 117.5610 54.9426 31.0899 175.3296 42 R 4.7569 9.0841 120.7599 54.4513 34.2335 174.1572 43 L 5.2245 8.5494 122.9008 53.0321 44.5730 175.2298 44 I 4.9131 8.6207 124.0012 59.4032 40.5228 174.3214 45 F 5.0079 9.0134 128.3221 56.5277 42.1522 174.7917 46 A 3.6599 9.1859 130.1758 53.0763 15.8941 175.5701 47 G 4.1594 8.3282 112.3995 46.3558 0.0000 175.0342 48 K 4.1489 7.5577 120.3502 53.8011 32.4829 177.9718 49 Q 4.8219 8.3738 124.3551 54.1156 29.1859 175.2632 50 L 3.9700 8.6801 130.1178 55.5334 42.6654 177.3276 51 E 4.8332 8.9696 120.2670 54.4227 32.7012 175.0315 52 D 4.5552 8.7774 123.7919 55.3291 41.4192 177.2810 53 G 4.0021 8.9939 110.2941 45.1499 0.0000 173.5273 54 R 4.6694 7.6779 118.7346 55.1141 32.3335 176.0593 55 T 4.8290 8.3386 112.0540 60.3181 71.2032 175.2345 56 L 4.0767 8.6189 122.9274 58.3000 42.2872 180.3410 57 S 4.0928 8.2997 113.2228 61.1386 63.2768 175.9977 58 D 4.4771 7.6215 120.0174 56.7689 40.5680 176.9350 59 Y 4.6144 7.7441 113.6895 56.8329 38.3409 174.6853 60 N 4.0635 8.3190 117.1846 54.5794 37.8687 174.6251 61 I 3.8196 7.8049 118.4549 59.9556 37.3029 175.5054 62 Q 4.6037 8.1276 129.3385 54.3289 31.3305 175.8851 63 K 4.0593 8.4791 119.2915 56.9010 31.9246 171.6780 64 E 3.5386 9.1946 120.1911 57.1954 27.8605 175.2680 65 S 4.8089 7.3524 112.2333 58.2152 65.1713 173.4137 66 T 5.1598 8.6700 117.8342 62.1179 70.4635 173.7169 67 L 4.8931 9.2146 127.1907 53.5867 44.4622 175.1790 68 H 5.2222 9.2333 120.2523 54.1763 31.0586 173.4048 69 L 4.8836 8.8728 126.1000 53.6055 43.2374 175.6617 70 V 4.6426 8.6147 125.2820 61.0621 35.2955 173.9147 71 L 5.3126 8.5835 125.3219 53.5205 45.3236 177.0000 72 R 4.6074 9.5307 125.9991 55.7298 31.7161 176.6729 73 L 4.3702 8.3008 123.9605 53.4813 42.0937 172.9591 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 M 8.16 4.46 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 2 Q 8.22 4.89 0.00 1.90 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 3 I 8.84 4.37 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.20 0.83 0.00 0.00 4 F 9.16 5.36 0.00 2.96 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 5 V 9.16 4.86 2.11 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 1.01 0.00 0.00 0.94 0.00 0.00 6 K 8.88 4.81 0.00 1.73 1.55 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.34 7.81 7 T 7.97 4.33 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 1.25 0.00 0.00 8 L 8.20 4.16 0.00 1.58 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.88 4.38 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 10 G 7.97 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.43 3.83 0.00 1.51 1.76 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.32 7.81 12 T 8.56 4.68 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 1.11 0.00 0.00 13 I 8.45 4.52 1.90 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 1.27 0.93 0.97 0.00 0.00 14 T 8.49 5.11 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 1.17 0.00 0.00 15 L 8.83 4.79 0.00 1.58 1.46 0.90 0.58 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 16 E 8.74 4.51 0.00 1.90 1.84 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 2.18 2.34 0.00 17 V 8.39 4.63 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 0.70 0.00 0.00 0.85 0.00 0.00 18 E 8.48 4.67 0.00 1.80 1.76 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 2.18 2.22 0.00 19 P 0.00 4.13 0.00 2.04 2.12 0.00 3.55 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 2.10 2.14 0.00 20 S 7.74 4.86 0.00 3.73 3.85 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 21 D 8.29 4.69 0.00 2.86 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 4.47 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 1.21 0.00 0.00 23 I 8.39 3.89 1.99 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 1.83 1.41 0.91 0.00 0.00 24 E 8.25 4.07 0.00 1.97 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 1.98 0.00 25 N 7.82 4.65 0.00 2.88 2.95 0.00 0.00 6.49 7.56 0.00 0.00 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 V 7.45 3.59 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 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.46 4.31 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.48 7.81 28 A 7.74 4.00 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 29 K 7.77 3.94 0.00 1.94 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.70 7.81 30 I 7.95 3.70 2.12 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 1.41 0.80 0.92 0.00 0.00 31 Q 8.19 4.27 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 32 D 8.03 4.40 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 4.39 0.00 1.81 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.33 7.81 34 E 8.37 4.73 0.00 1.98 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 0.00 2.22 2.37 0.00 35 G 8.41 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 36 I 7.02 4.26 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 1.30 1.08 0.91 0.00 0.00 37 P 0.00 4.35 0.00 2.17 1.99 0.00 3.77 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 38 P 0.00 4.21 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 39 D 8.10 4.65 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.18 4.71 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 41 Q 8.02 4.89 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 42 R 9.08 4.76 0.00 1.64 1.77 0.00 3.25 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.55 5.22 0.00 1.54 1.53 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.62 4.91 1.89 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 1.10 0.70 0.95 0.00 0.00 45 F 9.01 5.01 0.00 2.96 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 46 A 9.19 3.66 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 4.15 0.00 1.69 1.69 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.24 7.81 49 Q 8.37 4.82 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 50 L 8.68 3.97 0.00 1.40 1.18 0.73 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.97 4.83 0.00 1.65 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 2.14 2.12 0.00 52 D 8.78 4.56 0.00 2.68 2.76 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 53 G 8.99 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 54 R 7.68 4.67 0.00 2.16 1.73 0.00 3.29 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 55 T 8.34 4.83 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 56 L 8.62 4.08 0.00 1.85 1.71 0.89 0.62 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 57 S 8.30 4.09 0.00 4.02 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 58 D 7.62 4.48 0.00 2.73 2.38 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 59 Y 7.74 4.61 0.00 2.99 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 60 N 8.32 4.06 0.00 2.81 2.98 0.00 0.00 7.04 7.83 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 61 I 7.80 3.82 1.69 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.33 0.51 0.00 0.00 62 Q 8.13 4.60 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 63 K 8.48 4.06 0.00 1.77 1.62 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.05 7.81 64 E 9.19 3.54 0.00 1.98 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 0.00 2.23 2.16 0.00 65 S 7.35 4.81 0.00 3.78 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.67 5.16 4.36 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 1.22 0.00 0.00 67 L 9.21 4.89 0.00 1.61 1.60 0.82 0.86 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 68 H 9.23 5.22 0.00 3.05 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.87 4.88 0.00 1.60 1.58 0.98 0.83 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 70 V 8.61 4.64 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 0.98 0.00 0.00 0.94 0.00 0.00 71 L 8.58 5.31 0.00 1.52 1.51 0.93 0.80 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 72 R 9.53 4.61 0.00 1.49 1.70 0.00 3.21 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 73 L 8.30 4.37 0.00 1.59 1.38 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00