NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6170 8.4449 120.3851 56.2493 30.4205 172.8945 1 E 4.6461 8.7591 117.4386 52.7257 32.5039 173.8174 2 Q 4.2491 8.7259 123.6980 56.9369 30.6713 175.5839 3 T 4.4991 9.0982 115.3910 62.9635 71.6784 173.4692 4 H 5.3698 8.0745 116.9479 53.8316 34.1167 172.1212 5 R 5.1411 8.7921 117.9994 54.8166 33.4834 174.2601 6 A 4.6958 8.9498 128.8772 52.0961 19.0703 177.6595 7 I 4.3237 8.7774 114.4256 60.5711 39.4909 175.4856 8 F 5.2308 7.7230 119.6236 55.3417 42.7280 174.4013 9 R 4.5624 8.7541 121.2231 56.0703 31.0469 175.2502 10 F 5.0732 9.3148 128.2145 56.4801 42.4125 173.3987 11 V 4.3444 7.7819 126.0506 60.1992 32.7999 173.5941 12 P 4.4603 0.0000 0.0000 62.9507 31.6488 176.5325 13 R 4.4930 10.0748 119.1573 55.6556 32.5913 175.3751 14 H 5.0628 7.9741 114.0227 53.3717 32.5579 173.9346 15 E 3.9879 9.0898 121.5846 59.7883 29.5145 178.4031 16 D 4.6113 8.0236 115.7586 54.3399 40.2460 175.7416 17 E 4.9780 7.9404 119.8942 56.3548 30.5120 175.7214 18 L 4.7637 9.0501 125.6570 53.3749 43.5373 175.8453 19 E 4.4533 8.8990 127.4788 56.3636 30.7827 175.7038 20 L 4.8639 9.0492 125.1904 53.1652 45.4708 175.5747 21 E 4.9898 8.8113 121.9700 54.2864 32.6152 175.7233 22 V 3.6346 8.2246 121.3269 64.3345 32.1676 175.5305 23 D 4.5350 8.9884 124.9471 55.2259 38.8217 173.5310 24 D 4.7280 7.5707 119.2928 53.1952 42.2165 174.1774 25 P 4.7631 0.0000 0.0000 62.7843 32.8243 175.1727 26 L 5.2162 8.9202 122.5162 52.9379 46.1709 175.4377 27 L 4.8714 8.7887 124.8792 53.0602 43.2844 174.4186 28 V 4.1472 8.9269 125.9759 62.8379 31.3270 175.3613 29 E 4.4254 9.0397 127.8421 57.6131 30.7294 176.3735 30 L 4.2782 7.4959 119.7827 54.1095 45.6758 173.9794 31 Q 4.8327 8.4832 125.1399 53.2106 28.7089 174.9870 32 A 4.2861 8.5273 126.0494 51.9027 19.6251 178.1814 33 E 4.0101 8.8535 116.5355 57.7013 30.1905 177.1333 34 D 4.5993 7.9149 118.2844 53.3539 39.8765 176.0423 35 Y 3.7616 7.4351 114.5167 58.7790 35.6959 168.3543 36 W 4.9002 8.0695 118.6121 55.0985 32.8082 174.1083 37 Y 5.0573 8.3158 119.7504 56.3614 40.5339 174.5835 38 E 5.0514 8.9957 123.3978 55.0161 31.7017 175.1278 39 A 5.3409 9.3644 125.7701 50.8881 23.9882 173.4604 40 Y 5.1123 8.7538 119.8898 55.9374 41.4174 174.1507 41 N 4.6460 9.0944 126.8601 53.0189 39.2414 175.4305 42 M 3.8788 8.4761 127.1820 57.5532 31.9797 178.1897 43 R 4.0550 8.5529 119.5976 58.3651 30.4528 176.9823 44 T 4.2801 7.9367 104.5463 60.4255 69.7155 174.1322 45 G 3.9805 7.9937 110.2545 46.3475 0.0000 173.4718 46 A 4.8192 7.4142 120.0850 49.9727 22.0500 176.5024 47 R 5.1405 9.3532 119.6170 53.9551 32.6572 176.5573 48 G 4.0896 6.9504 105.9738 45.8653 0.0000 171.4898 49 V 5.7807 8.2860 112.2750 59.1697 35.3818 175.1030 50 F 4.9766 8.1289 114.8471 55.0876 41.1425 171.4812 51 P 3.2784 0.0000 0.0000 62.3840 31.4665 176.9687 52 A 2.5800 8.1045 128.3549 55.3557 18.1567 178.7792 53 Y 4.3182 7.5272 109.4992 59.7658 38.1673 176.1467 54 Y 4.3323 8.5022 117.7558 58.7044 38.4997 174.5791 55 A 5.3654 7.8107 121.2726 49.9879 22.7869 175.4801 56 I 4.8424 8.5153 112.4688 58.6166 41.0354 175.0805 57 E 4.2084 8.9084 122.1118 56.2422 30.3530 177.5824 58 V 4.2460 7.3670 115.3199 58.5388 30.6212 176.5319 59 T 3.9417 7.3928 112.8737 62.4085 67.9074 173.9495 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 0 H 8.44 4.62 0.00 3.13 3.04 0.00 5.64 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 E 8.76 4.65 0.00 2.16 1.86 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 2.23 2.34 0.00 2 Q 8.73 4.25 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.35 0.00 3 T 9.10 4.50 4.33 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 1.27 0.00 0.00 4 H 8.07 5.37 0.00 3.20 3.44 0.00 5.76 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 5 R 8.79 5.14 0.00 1.84 1.69 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 6 A 8.95 4.70 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 7 I 8.78 4.32 1.35 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.77 0.00 0.00 8 F 7.72 5.23 0.00 2.28 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.75 4.56 0.00 1.91 1.94 0.00 3.22 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 10 F 9.31 5.07 0.00 3.19 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 11 V 7.78 4.34 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 0.75 0.00 0.00 0.88 0.00 0.00 12 P 0.00 4.46 0.00 1.92 2.00 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 13 R 10.07 4.49 0.00 1.48 1.60 0.00 3.10 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 14 H 7.97 5.06 0.00 3.23 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.09 3.99 0.00 1.96 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 2.34 2.28 0.00 16 D 8.02 4.61 0.00 2.81 2.89 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 0.00 0.00 0.00 17 E 7.94 4.98 0.00 2.22 2.47 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 2.72 2.45 0.00 18 L 9.05 4.76 0.00 1.72 2.01 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.90 4.45 0.00 2.02 1.85 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 2.29 2.36 0.00 20 L 9.05 4.86 0.00 1.73 1.49 0.28 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.81 4.99 0.00 2.30 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 2.31 2.22 0.00 22 V 8.22 3.63 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 0.82 0.00 0.00 1.04 0.00 0.00 23 D 8.99 4.53 0.00 2.83 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 24 D 7.57 4.73 0.00 2.80 2.53 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 0.00 0.00 0.00 0.00 25 P 0.00 4.76 0.00 2.13 2.18 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 26 L 8.92 5.22 0.00 1.68 1.64 0.77 -0.02 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 27 L 8.79 4.87 0.00 1.91 1.80 1.00 0.80 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 28 V 8.93 4.15 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 0.37 0.00 0.00 0.78 0.00 0.00 29 E 9.04 4.43 0.00 1.90 1.98 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 2.30 2.50 0.00 30 L 7.50 4.28 0.00 1.69 1.42 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.48 4.83 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 32 A 8.53 4.29 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 4.01 0.00 1.98 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 2.22 2.23 0.00 34 D 7.91 4.60 0.00 2.91 2.80 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 0.00 0.00 0.00 35 Y 7.44 3.76 0.00 3.32 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 36 W 8.07 4.90 0.00 3.17 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 37 Y 8.32 5.06 0.00 1.43 2.30 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 38 E 9.00 5.05 0.00 1.90 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 2.39 2.39 0.00 39 A 9.36 5.34 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.75 5.11 0.00 3.12 2.88 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 41 N 9.09 4.65 0.00 2.67 2.49 0.00 0.00 6.78 8.31 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 42 M 8.48 3.88 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.77 0.00 43 R 8.55 4.06 0.00 1.71 2.05 0.00 3.22 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 44 T 7.94 4.28 4.21 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 1.18 0.00 0.00 45 G 7.99 3.98 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 0.00 0.00 0.00 46 A 7.41 4.82 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 47 R 9.35 5.14 0.00 1.92 1.97 0.00 3.43 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 48 G 6.95 4.09 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 0.00 0.00 0.00 49 V 8.29 5.78 2.32 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 0.84 0.00 0.00 0.94 0.00 0.00 50 F 8.13 4.98 0.00 2.40 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 51 P 0.00 3.28 0.00 1.44 1.39 0.00 2.20 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 0.00 52 A 8.10 2.58 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.53 4.32 0.00 3.09 3.10 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 54 Y 8.50 4.33 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.81 5.37 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.52 4.84 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.85 0.00 0.00 57 E 8.91 4.21 0.00 1.88 1.83 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 2.27 2.32 0.00 58 V 7.37 4.25 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 0.78 0.00 0.00 0.93 0.00 0.00 59 T 7.39 3.94 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 1.20 0.00 0.00