NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2373 8.1233 122.4563 51.8239 20.8838 176.0635 2 D 4.5904 8.4871 119.8812 53.0717 39.9814 175.6526 3 C 4.4565 9.1283 124.3155 59.6780 39.3400 174.0842 4 A 4.6950 7.2500 117.3644 50.8900 22.2529 175.4085 5 K 5.3958 8.2985 120.0928 52.6700 35.6837 176.7221 6 G 3.8580 7.8385 111.8684 45.9663 0.0000 171.2445 7 K 4.7305 7.9892 118.6114 55.2411 33.3824 176.5122 8 I 4.1456 8.0876 122.4346 61.3462 37.5846 176.1302 9 E 4.4162 9.3630 126.6639 59.0593 30.2185 176.7719 10 F 5.1122 7.3722 112.0990 56.0205 41.1874 173.0920 11 S 5.1900 8.7114 113.3393 56.9300 66.6830 173.1581 12 K 4.4031 8.0167 120.4595 55.5328 36.1004 173.6480 13 Y 4.6390 8.7426 128.9821 57.0628 40.2356 174.1342 14 N 5.0906 8.3745 123.9352 51.2719 40.9505 175.9588 15 E 4.0315 8.7104 119.6520 59.1284 29.6547 177.7489 16 D 4.6580 7.9664 116.5794 52.8858 39.5822 176.3119 17 D 4.1189 8.3506 116.9328 55.3160 38.9249 173.7776 18 T 4.7111 7.9736 111.5863 60.6578 71.8705 173.0092 19 F 5.1967 9.3296 122.7177 57.0221 42.8867 173.3571 20 T 5.4249 9.0072 122.6158 62.0746 71.4452 173.7994 21 V 4.7675 9.0249 117.4277 59.4400 36.4478 174.2671 22 K 4.6209 8.1085 125.0211 54.5741 34.2157 175.0279 23 V 4.6042 8.7985 127.1825 61.6451 34.9198 174.8757 24 D 4.3499 9.8598 126.8249 55.4019 39.5215 174.2031 25 G 3.9721 9.8282 104.9010 45.2907 0.0000 173.7843 26 K 4.5740 8.0690 119.0944 54.3566 35.9694 174.8840 27 E 4.8988 8.1544 122.0647 55.1659 31.8092 174.7991 28 Y 5.3152 8.9681 120.2199 56.1597 43.0156 174.1336 29 W 5.8836 9.0307 117.5566 55.2843 32.2508 173.9337 30 T 4.6207 9.3984 115.3022 60.3900 70.2489 174.3078 31 S 4.8398 8.8010 120.3835 58.2570 64.1208 174.1646 32 R 4.1908 7.8175 122.2750 55.4697 29.9466 177.2957 33 W 4.4710 8.8663 124.4327 59.9686 29.1459 178.0601 34 N 4.5107 8.3176 115.3187 55.5010 38.0179 176.8333 35 L 4.3163 8.0069 120.3105 56.8158 41.6161 179.0793 36 Q 2.8169 7.9450 119.1883 58.1183 28.6463 176.9853 37 P 4.2152 0.0000 0.0000 65.6954 31.3873 178.3447 38 L 3.7702 7.4539 117.4048 57.5729 41.4890 179.5121 39 L 4.3395 8.5780 119.3230 57.9010 41.5889 179.2982 40 Q 4.1929 8.5663 120.0570 59.1651 28.9046 178.1767 41 S 4.0608 8.6342 114.4189 61.3300 62.3457 175.9323 42 A 4.0332 8.1347 123.4394 55.2517 18.0228 179.3831 43 Q 3.9699 8.6521 118.3850 59.4878 28.9780 178.5515 44 L 4.0949 8.2481 119.3972 57.3755 41.7371 178.5939 45 T 4.4554 8.0583 107.1544 60.8057 69.1714 174.8712 46 G 3.8946 7.7157 109.2561 47.0801 0.0000 174.1950 47 M 4.4726 8.1890 118.7194 55.1979 33.0932 176.3734 48 T 4.4678 8.9565 119.2231 63.2194 70.1865 174.2882 49 V 4.7139 8.9434 119.8928 59.7661 35.1441 175.0818 50 T 4.7716 8.3873 120.8541 61.7091 71.1542 173.3328 51 I 3.8890 8.3808 129.2294 60.5802 38.1571 175.5617 52 K 4.9169 8.1662 126.3924 54.7492 35.0649 175.4460 53 S 4.4400 8.3241 115.9601 58.0921 65.6657 176.4570 54 S 4.2767 9.1724 120.5605 61.2801 62.7593 175.0346 55 T 4.7188 7.6319 107.7346 60.1553 70.8957 174.0939 56 C 5.0938 8.5431 119.2150 56.5851 36.0799 173.8562 57 E 4.1917 8.1400 121.3378 55.6167 29.8761 176.0631 58 S 3.8167 8.4441 119.7265 60.2522 62.6435 174.4305 59 G 4.0025 9.3634 116.3300 45.3945 0.0000 173.0240 60 S 4.7640 7.8404 114.3979 56.9971 64.3383 173.6935 61 G 3.3698 8.1081 111.0943 46.3144 0.0000 172.6063 62 F 4.9421 7.4011 113.8122 55.5455 40.8137 174.4867 63 A 4.3856 8.2549 119.5817 52.3860 20.3762 175.3623 64 E 4.8796 8.2348 119.5437 55.7001 33.0732 174.7543 65 V 4.6437 8.2612 124.3395 60.7443 34.1986 172.6534 66 Q 4.4637 8.7821 125.9170 54.5738 31.3182 173.9825 67 F 5.3356 8.5974 122.5222 55.8126 42.2184 174.2450 68 N 5.1133 9.1857 119.8984 51.4110 42.0573 175.6868 69 N 4.4703 9.1073 120.1108 56.1238 39.1216 174.8904 70 D 4.2967 7.7822 121.5659 54.6099 42.0399 174.8565 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 8.12 4.24 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 D 8.49 4.59 0.00 2.59 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 3 C 9.13 4.46 0.00 2.33 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.25 4.70 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.30 5.40 0.00 1.57 1.57 0.00 1.71 0.00 0.00 2.32 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.31 7.81 6 G 7.84 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 7 K 7.99 4.73 0.00 1.77 1.76 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 I 8.09 4.15 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.51 0.98 0.00 0.00 9 E 9.36 4.42 0.00 1.80 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 2.37 0.00 10 F 7.37 5.11 0.00 3.03 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 5.19 0.00 3.63 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 12 K 8.02 4.40 0.00 1.91 1.68 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.37 7.81 13 Y 8.74 4.64 0.00 3.35 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 14 N 8.37 5.09 0.00 2.88 2.61 0.00 0.00 6.65 8.52 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 15 E 8.71 4.03 0.00 1.96 2.04 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 2.36 2.34 0.00 16 D 7.97 4.66 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 17 D 8.35 4.12 0.00 3.20 3.06 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 0.00 0.00 0.00 0.00 18 T 7.97 4.71 4.67 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 1.29 0.00 0.00 19 F 9.33 5.20 0.00 3.10 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 20 T 9.01 5.42 4.31 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 1.35 0.00 0.00 21 V 9.02 4.77 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 0.94 0.00 0.00 1.03 0.00 0.00 22 K 8.11 4.62 0.00 0.79 0.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.29 7.81 23 V 8.80 4.60 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 0.91 0.00 0.00 0.84 0.00 0.00 24 D 9.86 4.35 0.00 2.90 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 25 G 9.83 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 26 K 8.07 4.57 0.00 1.66 1.18 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.26 1.34 7.81 27 E 8.15 4.90 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 28 Y 8.97 5.32 0.00 2.69 2.84 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 29 W 9.03 5.88 0.00 3.49 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 30 T 9.40 4.62 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 1.18 0.00 0.00 31 S 8.80 4.84 0.00 4.12 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 32 R 7.82 4.19 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 33 W 8.87 4.47 0.00 3.40 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 34 N 8.32 4.51 0.00 2.87 2.90 0.00 0.00 7.17 6.74 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 35 L 8.01 4.32 0.00 1.94 1.83 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.94 2.82 0.00 1.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 1.74 2.28 0.00 37 P 0.00 4.22 0.00 2.19 2.24 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 38 L 7.45 3.77 0.00 1.93 1.32 1.01 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.58 4.34 0.00 1.99 2.12 1.48 1.40 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 40 Q 8.57 4.19 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 41 S 8.63 4.06 0.00 3.84 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 42 A 8.13 4.03 1.66 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 0.00 0.00 43 Q 8.65 3.97 0.00 2.28 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 44 L 8.25 4.09 0.00 1.79 1.75 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.06 4.46 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 1.26 0.00 0.00 46 G 7.72 3.89 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 0.00 0.00 0.00 47 M 8.19 4.47 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 48 T 8.96 4.47 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 1.18 0.00 0.00 49 V 8.94 4.71 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 0.94 0.00 0.00 0.86 0.00 0.00 50 T 8.39 4.77 4.08 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 0.00 0.00 0.00 1.16 0.00 0.00 51 I 8.38 3.89 1.05 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.05 -0.24 0.00 0.00 52 K 8.17 4.92 0.00 1.48 1.58 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.36 7.81 53 S 8.32 4.44 0.00 3.77 3.69 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 54 S 9.17 4.28 0.00 3.88 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 55 T 7.63 4.72 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 1.22 0.00 0.00 56 C 8.54 5.09 0.00 2.96 3.13 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 0.00 0.00 0.00 0.00 57 E 8.14 4.19 0.00 2.07 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 2.40 2.37 0.00 58 S 8.44 3.82 0.00 3.72 3.69 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 59 G 9.36 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 60 S 7.84 4.76 0.00 4.29 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 61 G 8.11 3.37 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 0.00 62 F 7.40 4.94 0.00 3.00 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 63 A 8.25 4.39 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.23 4.88 0.00 1.99 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 2.21 2.26 0.00 65 V 8.26 4.64 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 0.71 0.00 0.00 0.24 0.00 0.00 66 Q 8.78 4.46 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 67 F 8.60 5.34 0.00 2.96 2.92 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 68 N 9.19 5.11 0.00 2.81 2.79 0.00 0.00 6.68 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.11 4.47 0.00 2.73 2.90 0.00 0.00 6.79 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 70 D 7.78 4.30 0.00 2.61 2.50 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 0.00 0.00 0.00 0.00