NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 C 4.5012 8.3293 115.5928 57.2770 31.3186 172.8605 9 F 4.7065 6.8355 112.9433 55.2651 40.1961 172.2352 10 A 4.2033 8.5601 125.5107 52.7531 19.9346 179.3353 11 T 4.7173 8.3381 110.9649 61.7000 69.3399 176.7467 12 L 4.0638 7.9210 123.7987 58.2908 41.6920 179.2634 13 G 3.6839 8.1720 104.8539 47.9295 0.0000 175.1413 14 A 4.0785 8.1334 123.0441 55.1886 18.1104 179.6902 15 T 3.8125 7.7049 113.0750 66.8654 68.8165 176.5910 16 L 3.8886 7.8017 120.7854 57.6625 41.4269 179.5317 17 Q 4.3277 8.2648 118.0854 59.2896 28.5297 178.6025 18 D 4.5478 8.1106 117.9582 56.4350 41.0797 177.9016 19 S 4.5302 8.0623 114.9611 57.7047 63.2479 174.0700 20 I 4.0228 6.9689 123.2585 63.1463 37.1692 176.5416 21 G 3.9850 9.6297 114.0378 45.0542 0.0000 173.0861 22 K 4.6821 8.0333 119.3945 54.3506 35.3982 175.4760 23 Q 4.7030 8.4965 123.5666 56.3307 30.4146 175.1310 24 V 4.9409 9.2239 118.5605 59.5021 36.3326 173.9777 25 L 5.0814 9.1469 125.5186 53.6171 44.0917 175.3169 26 V 4.8128 9.1024 125.9152 60.9731 34.8495 174.1232 27 K 4.8907 7.8311 125.8363 54.4831 35.2312 175.2177 28 L 5.1622 8.4854 122.9745 52.3115 45.6531 176.0672 29 R 3.8422 8.4040 119.6461 57.1028 30.9473 176.1386 30 D 4.3672 9.0773 116.8442 55.6799 38.1356 174.0738 31 S 3.7245 8.0753 110.8096 60.0335 60.4570 171.7345 32 H 4.8468 7.6839 116.1433 54.5762 31.0048 174.5657 33 E 4.9548 8.6051 121.8112 54.6510 32.8964 174.1462 34 I 5.1944 9.0443 127.0774 59.6605 41.7806 174.5960 35 R 5.0788 8.6760 123.2333 54.4612 34.3352 174.7489 36 G 4.2211 8.2624 108.3773 45.9849 0.0000 172.0728 37 I 4.6226 8.0458 121.7127 60.3513 38.4742 175.5353 38 L 4.4758 8.8117 130.4975 55.3390 42.1952 177.1144 39 R 4.4762 8.8536 125.9126 57.3167 32.1553 176.1801 40 S 4.7076 7.6777 111.1845 57.8032 65.7508 173.4850 41 F 5.7231 7.9280 116.4527 57.4540 40.2869 172.2696 42 D 5.0456 8.2914 118.9410 51.1609 42.1538 176.2915 43 Q 4.1084 8.6139 115.8204 59.4158 28.6006 176.6605 44 H 4.4892 8.6340 114.8148 55.5250 28.7034 176.0592 45 V 3.6168 8.0896 118.8955 63.6258 30.5613 170.7220 46 N 4.9539 8.3103 115.1457 52.8201 39.7374 174.0787 47 L 5.3457 9.2348 122.2465 52.8306 46.3428 175.1837 48 L 5.1344 8.9756 123.5617 53.5362 44.3744 175.2098 49 L 5.3805 9.3506 126.4028 53.0870 45.2026 175.4486 50 E 4.9114 8.6791 119.8217 54.5486 33.9138 175.2819 51 D 4.4489 8.7155 117.4885 55.3272 38.9726 174.1075 52 A 4.8208 8.2607 119.3928 51.9222 20.4193 177.3932 53 E 5.1099 9.2365 116.7971 55.1277 33.5411 173.9570 54 E 5.0354 9.2007 121.3938 55.2115 32.1020 175.2235 55 I 4.7184 8.4937 124.4372 59.7683 39.1594 175.6973 56 I 4.3731 8.4080 128.7122 60.1147 39.4270 175.7820 57 D 4.4281 9.9564 127.5031 55.2180 38.3359 174.9967 58 G 4.0245 8.3656 107.1584 45.5444 0.0000 174.3111 59 N 4.3524 7.9602 117.4477 52.7996 39.1925 174.0196 60 V 4.5271 7.6650 120.3552 61.3275 34.2246 174.1493 61 Y 4.7972 8.6062 126.4035 55.9389 40.0537 175.4629 62 K 4.5122 8.8545 124.7690 56.7162 32.2437 177.3121 63 R 4.4507 9.4673 122.9864 54.1694 33.1838 177.2043 64 G 4.0168 8.4553 106.3218 45.7148 0.0000 175.8878 65 T 4.7038 8.5160 120.3194 63.1429 69.2059 172.4626 66 M 4.7531 9.3002 125.6832 54.0040 36.0996 173.4331 67 V 4.7022 8.4992 125.8358 61.3084 33.4836 174.6582 68 V 4.4388 8.8021 128.2618 60.9524 34.3312 174.8684 69 R 4.6175 8.6167 127.2591 55.6425 30.8877 177.8526 70 G 3.9813 9.7596 112.3562 47.1628 0.0000 175.0288 71 E 3.8704 8.3322 119.8727 59.0007 29.6601 177.0784 72 N 4.7037 7.7780 112.3487 52.8611 39.1436 174.7905 73 V 3.9231 7.5787 119.9484 62.8988 32.1786 175.4170 74 L 4.4635 9.0440 128.7608 56.8444 42.1760 176.7267 75 F 5.0441 7.1965 111.2442 55.9184 41.6195 172.3987 76 I 5.1836 8.4834 119.1792 59.7378 40.5620 175.0978 77 S 4.5678 9.5744 121.5960 55.7252 65.4915 171.3192 78 P 4.6630 0.0000 0.0000 62.7314 31.7135 176.4932 79 V 3.7189 8.6553 125.8999 62.0449 32.1111 174.2731 80 P 4.4262 0.0000 0.0000 62.9887 31.1624 176.0888 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 8 C 8.33 4.50 0.00 3.14 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 9 F 6.84 4.71 0.00 3.21 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 10 A 8.56 4.20 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 11 T 8.34 4.72 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 1.24 0.00 0.00 12 L 7.92 4.06 0.00 1.77 1.75 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.17 3.68 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 0.00 0.00 0.00 14 A 8.13 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 3.81 4.41 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 1.17 0.00 0.00 16 L 7.80 3.89 0.00 0.92 0.28 0.47 0.58 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 17 Q 8.26 4.33 0.00 2.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.66 2.93 0.00 18 D 8.11 4.55 0.00 2.84 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 19 S 8.06 4.53 0.00 3.96 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 20 I 6.97 4.02 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.88 0.96 0.00 0.00 21 G 9.63 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 22 K 8.03 4.68 0.00 1.77 1.72 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.46 7.81 23 Q 8.50 4.70 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 24 V 9.22 4.94 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 0.69 0.00 0.00 1.04 0.00 0.00 25 L 9.15 5.08 0.00 1.80 1.79 1.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.10 4.81 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 0.90 0.00 0.00 0.93 0.00 0.00 27 K 7.83 4.89 0.00 0.79 1.29 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.03 7.81 28 L 8.49 5.16 0.00 1.55 1.59 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.40 3.84 0.00 1.70 1.90 0.00 3.46 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 30 D 9.08 4.37 0.00 2.93 2.79 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 31 S 8.08 3.72 0.00 3.95 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 32 H 7.68 4.85 0.00 3.04 3.19 0.00 5.56 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 33 E 8.61 4.95 0.00 1.97 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 2.26 2.30 0.00 34 I 9.04 5.19 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.52 0.92 0.00 0.00 35 R 8.68 5.08 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 36 G 8.26 4.22 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 0.00 37 I 8.05 4.62 1.97 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 1.13 0.92 0.91 0.00 0.00 38 L 8.81 4.48 0.00 1.83 1.76 1.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.85 4.48 0.00 1.72 1.96 0.00 3.43 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 40 S 7.68 4.71 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 5.72 0.00 3.14 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 42 D 8.29 5.05 0.00 2.88 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 43 Q 8.61 4.11 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.08 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 44 H 8.63 4.49 0.00 3.41 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.09 3.62 2.12 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 0.92 0.00 0.00 0.96 0.00 0.00 46 N 8.31 4.95 0.00 3.07 2.75 0.00 0.00 6.79 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 47 L 9.23 5.35 0.00 1.54 1.57 0.93 0.39 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 48 L 8.98 5.13 0.00 1.73 1.61 0.99 0.86 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 49 L 9.35 5.38 0.00 1.58 1.53 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.68 4.91 0.00 1.90 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 2.22 2.26 0.00 51 D 8.72 4.45 0.00 2.79 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 52 A 8.26 4.82 1.26 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 0.00 0.00 0.00 53 E 9.24 5.11 0.00 1.99 2.02 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 2.38 2.30 0.00 54 E 9.20 5.04 0.00 2.14 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 2.31 2.35 0.00 55 I 8.49 4.72 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 1.22 0.44 0.89 0.00 0.00 56 I 8.41 4.37 2.05 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.99 0.00 0.00 57 D 9.96 4.43 0.00 2.79 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 58 G 8.37 4.02 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 0.00 0.00 0.00 59 N 7.96 4.35 0.00 2.56 1.97 0.00 0.00 6.21 8.09 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 60 V 7.67 4.53 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 0.77 0.00 0.00 0.85 0.00 0.00 61 Y 8.61 4.80 0.00 3.02 2.82 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 0.00 0.00 0.00 62 K 8.85 4.51 0.00 1.68 1.78 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 63 R 9.47 4.45 0.00 1.62 1.95 0.00 3.36 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 64 G 8.46 4.02 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 0.00 0.00 0.00 65 T 8.52 4.70 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 1.27 0.00 0.00 66 M 9.30 4.75 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 67 V 8.50 4.70 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 0.83 0.00 0.00 0.94 0.00 0.00 68 V 8.80 4.44 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 0.90 0.00 0.00 0.93 0.00 0.00 69 R 8.62 4.62 0.00 1.91 1.84 0.00 3.18 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 70 G 9.76 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 71 E 8.33 3.87 0.00 1.94 2.02 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 2.30 2.36 0.00 72 N 7.78 4.70 0.00 2.86 2.80 0.00 0.00 6.61 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 73 V 7.58 3.92 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 0.75 0.00 0.00 0.91 0.00 0.00 74 L 9.04 4.46 0.00 1.42 1.71 0.91 1.02 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 75 F 7.20 5.04 0.00 3.02 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 76 I 8.48 5.18 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 0.92 0.00 0.00 77 S 9.57 4.57 0.00 3.74 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.66 0.00 1.97 1.99 0.00 3.73 0.00 0.00 3.58 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 79 V 8.66 3.72 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 0.74 0.00 0.00 1.02 0.00 0.00 80 P 0.00 4.43 0.00 2.07 1.95 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00