NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4989 0.0000 0.0000 62.7161 33.6856 174.4807 2 F 5.3428 8.7685 122.3441 56.3073 41.5227 172.7012 3 I 4.1552 9.2000 128.9379 59.6361 39.3726 173.8211 4 E 4.7208 8.1838 128.5441 54.3783 31.3189 174.5709 5 C 4.7483 8.9209 124.8554 58.2579 31.2494 172.5446 6 H 5.4391 8.8908 121.6439 54.1619 30.0100 173.8796 7 I 4.8554 8.7043 116.1433 58.5519 41.6279 174.5063 8 A 4.6562 8.5060 123.8418 51.8924 18.8753 177.5501 9 T 4.3315 8.0445 115.8003 62.0929 67.7575 173.1167 10 G 3.4571 8.7636 116.3331 45.4130 0.0000 174.4113 11 L 4.2821 7.5235 120.7925 53.8857 42.7269 177.3419 12 S 4.4036 8.3353 116.8019 57.9521 64.9856 175.9018 13 V 3.5719 8.2431 122.2487 64.9364 31.2451 177.9754 14 A 3.9611 8.0536 121.3681 55.0162 18.0991 179.4831 15 R 3.8658 8.2323 117.0986 59.3754 30.0510 178.8709 16 K 3.9600 8.1511 118.3666 59.6439 32.0658 179.3388 17 Q 4.0135 8.3698 118.5728 58.8901 28.5106 178.8103 18 Q 3.9172 8.0496 120.4758 58.8833 29.1192 177.5967 19 L 3.9131 8.0469 121.5757 58.4876 42.0797 178.9608 20 I 3.7047 8.0539 119.7535 64.6339 37.0553 178.5385 21 R 3.9533 8.0792 118.7214 59.5355 29.8996 178.8899 22 D 4.4064 8.4915 119.0241 57.0025 40.7820 178.9670 23 V 3.5953 8.2596 119.4058 65.9176 31.4386 178.0305 24 I 3.6672 7.7391 119.4987 64.4355 37.0195 177.5714 25 D 4.3433 8.0105 118.6133 57.7852 41.0306 178.9340 26 V 3.6480 7.8520 112.5277 64.6914 31.5167 178.7711 27 T 3.8488 8.1112 115.5456 66.4972 68.2845 176.1297 28 N 4.5110 8.2607 120.4140 56.3216 38.8156 177.1596 29 K 4.0667 8.0034 118.5565 59.0387 32.1515 179.0801 30 S 4.3905 7.9747 113.8267 60.2880 63.5549 175.6087 31 I 4.3812 8.0330 120.4572 60.2212 38.7230 176.7482 32 G 3.9713 8.1004 107.7773 44.8687 0.0000 173.9784 33 S 4.1752 7.7924 117.0283 58.1093 63.4578 173.1997 34 D 4.5328 8.6650 125.1519 53.5477 41.6637 175.0511 35 P 4.2401 0.0000 0.0000 65.5835 31.6056 178.4967 36 K 3.9121 8.6778 117.6804 58.7120 31.9597 177.6106 37 I 4.1690 7.8126 110.0117 60.7814 38.4454 175.5365 38 I 4.2145 7.4392 123.2468 61.3368 37.3464 174.9770 39 N 5.0802 9.3181 125.9525 51.3940 40.9141 174.3461 40 V 5.0505 8.5204 122.6526 60.9748 34.8386 174.1357 41 L 4.8413 8.9759 128.8489 53.1808 45.0296 174.4274 42 L 5.0213 8.6690 128.1529 53.3041 44.0349 175.2807 43 V 4.4171 8.8138 126.3880 61.1347 34.4406 173.8143 44 E 5.1865 8.6681 126.6898 55.1096 32.1870 174.5976 45 H 5.2042 9.0674 119.4653 53.4604 33.4647 173.1762 46 A 4.3655 8.5891 123.8585 52.1771 19.2765 178.7769 47 E 3.9577 8.9249 120.9364 59.4176 29.7510 179.3827 48 A 4.1056 7.9780 120.0141 54.3668 18.5269 177.4352 49 N 4.7758 7.9748 111.6753 53.2747 39.0664 174.8148 50 M 4.6492 7.8815 118.1423 53.2871 35.0978 174.7564 51 S 4.6642 8.5825 117.4577 56.7090 64.4011 173.3062 52 I 4.0944 8.6665 128.7729 61.9240 38.9144 178.1248 53 S 5.1773 8.9122 116.7360 57.6029 61.0395 177.7221 54 G 4.1243 9.0343 102.4661 44.2736 0.0000 173.6129 55 R 4.2092 8.3555 122.6516 55.4596 31.0243 176.1464 56 I 3.9409 8.0849 123.9585 61.7000 37.7801 173.6274 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 P 0.00 4.50 0.00 2.17 2.29 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2 F 8.77 5.34 0.00 2.94 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 3 I 9.20 4.16 1.84 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 1.08 0.40 0.83 0.00 0.00 4 E 8.18 4.72 0.00 1.16 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 1.86 2.12 0.00 5 C 8.92 4.75 0.00 2.80 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 H 8.89 5.44 0.00 3.03 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.70 4.86 1.88 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 1.17 1.29 0.91 0.00 0.00 8 A 8.51 4.66 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 9 T 8.04 4.33 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 1.25 0.00 0.00 10 G 8.76 3.46 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 0.00 11 L 7.52 4.28 0.00 1.65 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.34 4.40 0.00 4.04 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 13 V 8.24 3.57 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 0.87 0.00 0.00 0.93 0.00 0.00 14 A 8.05 3.96 1.34 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 0.00 0.00 15 R 8.23 3.87 0.00 1.92 1.93 0.00 3.15 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 16 K 8.15 3.96 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.66 7.81 17 Q 8.37 4.01 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 18 Q 8.05 3.92 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 19 L 8.05 3.91 0.00 1.87 1.88 0.91 1.10 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 20 I 8.05 3.70 2.00 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 1.53 0.50 0.93 0.00 0.00 21 R 8.08 3.95 0.00 2.03 1.99 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 22 D 8.49 4.41 0.00 2.90 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 23 V 8.26 3.60 2.21 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 1.03 0.00 0.00 0.96 0.00 0.00 24 I 7.74 3.67 2.05 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 1.71 0.76 0.92 0.00 0.00 25 D 8.01 4.34 0.00 2.73 2.83 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 0.00 0.00 0.00 26 V 7.85 3.65 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 0.74 0.00 0.00 1.01 0.00 0.00 27 T 8.11 3.85 4.37 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 1.22 0.00 0.00 28 N 8.26 4.51 0.00 2.81 3.04 0.00 0.00 6.78 6.89 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 29 K 8.00 4.07 0.00 1.78 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.76 1.59 7.81 30 S 7.97 4.39 0.00 4.04 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 31 I 8.03 4.38 1.98 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 1.46 0.54 0.96 0.00 0.00 32 G 8.10 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 33 S 7.79 4.18 0.00 3.91 3.82 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 34 D 8.66 4.53 0.00 2.68 2.54 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 35 P 0.00 4.24 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 36 K 8.68 3.91 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 37 I 7.81 4.17 1.88 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 1.58 0.62 0.91 0.00 0.00 38 I 7.44 4.21 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 1.25 0.71 0.94 0.00 0.00 39 N 9.32 5.08 0.00 2.70 2.71 0.00 0.00 6.00 7.78 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 40 V 8.52 5.05 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 0.79 0.00 0.00 0.97 0.00 0.00 41 L 8.98 4.84 0.00 2.13 1.54 1.07 0.33 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 42 L 8.67 5.02 0.00 1.65 1.53 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.81 4.42 2.14 0.00 0.00 0.00 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 0.95 0.00 0.00 44 E 8.67 5.19 0.00 1.91 1.79 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 2.29 2.28 0.00 45 H 9.07 5.20 0.00 3.03 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.59 4.37 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 47 E 8.92 3.96 0.00 2.01 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 0.00 2.41 2.27 0.00 48 A 7.98 4.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.97 4.78 0.00 2.90 2.84 0.00 0.00 6.74 7.14 0.00 0.00 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 M 7.88 4.65 0.00 1.97 1.92 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 2.50 2.34 0.00 51 S 8.58 4.66 0.00 3.80 3.71 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 52 I 8.67 4.09 1.87 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 1.29 0.95 0.91 0.00 0.00 53 S 8.91 5.18 0.00 3.85 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 54 G 9.03 4.12 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 0.00 0.00 0.00 55 R 8.36 4.21 0.00 1.78 1.84 0.00 3.44 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 56 I 8.08 3.94 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 1.27 0.94 0.95 0.00 0.00