NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8763 8.3549 109.7313 45.5356 0.0000 172.0827 2 S 4.3618 8.4286 115.8107 56.8735 63.9683 172.5058 3 S 4.2060 8.7699 122.6340 60.3018 63.6524 175.1108 4 G 4.0208 7.5390 103.2233 45.1946 0.0000 172.8897 5 S 4.4609 8.5127 120.3104 57.0133 66.8027 174.2210 6 S 4.2019 8.4828 120.0850 58.8948 63.2713 173.2247 7 G 3.7979 8.7066 108.6579 46.0450 0.0000 172.3723 8 E 4.2801 7.7636 117.3017 55.6315 31.9531 176.1112 9 F 3.6851 8.0991 114.3719 59.3393 36.0457 175.5501 10 A 4.7144 7.9318 121.1014 50.3000 21.6504 176.1909 11 I 4.3676 8.3509 123.5035 59.3882 38.2850 175.0382 12 D 4.7290 8.4072 125.9646 51.5831 40.4821 175.7206 13 P 4.1884 0.0000 0.0000 64.6876 31.9008 177.2235 14 N 4.3965 7.7925 117.8964 56.3239 39.0331 174.5239 15 E 4.6161 8.4040 117.0411 53.6477 31.1688 174.3873 16 P 4.5795 0.0000 0.0000 62.5523 32.4792 175.2131 17 T 4.8238 7.7925 106.9608 60.3243 71.2596 171.6250 18 Y 4.3448 7.9021 118.6456 59.3055 40.6427 175.8804 19 C 3.8977 7.9073 118.8173 58.8812 32.5909 174.9153 20 L 4.1582 8.9632 122.8648 58.1095 41.2210 178.6616 21 C 4.3079 8.2538 110.5212 58.7652 30.1435 172.6006 22 N 4.2838 8.1575 117.4816 55.1717 35.7811 173.3636 23 Q 4.8218 7.4409 115.7966 53.5648 33.0072 176.1542 24 V 4.0797 8.3878 113.6533 61.2324 32.1023 176.2099 25 S 4.1026 8.3899 118.7142 59.0721 62.6666 172.7128 26 Y 4.6143 8.2728 122.1431 56.7075 40.8468 177.2038 27 G 3.6148 8.3601 110.4516 47.0659 0.0000 174.8648 28 E 4.2885 8.0196 123.0194 54.6377 31.1394 173.8452 29 M 5.9730 8.6184 121.8787 53.0847 36.0186 174.1886 30 I 4.5844 8.5355 114.4087 59.0717 41.6937 174.5463 31 G 3.6897 8.2465 110.4473 44.0715 0.0000 172.7558 32 C 4.2180 9.0493 126.7758 59.8150 31.2463 173.1359 33 D 4.1306 8.7845 127.1457 57.3099 40.8394 176.1069 34 N 4.5698 7.9543 117.8339 53.3638 38.2212 174.5047 35 E 4.6003 8.8916 125.9306 59.1275 29.9962 178.3083 36 Q 3.9421 8.1925 116.1486 59.1012 28.7529 177.6227 37 C 3.7162 7.9724 118.2994 58.9179 31.4006 172.7380 38 P 4.1990 0.0000 0.0000 64.6708 31.5024 177.0070 39 I 4.2228 7.4224 118.9247 63.5495 38.1270 177.4776 40 E 3.8288 8.3329 117.5260 55.9844 27.0454 174.9050 41 W 5.2021 7.1479 116.4545 57.0033 33.0134 174.3990 42 F 4.9810 8.7682 122.7018 56.1289 43.3298 174.0390 43 H 4.8034 8.7804 118.3568 55.8410 29.9550 175.8626 44 F 4.0747 9.1148 119.0464 59.9665 38.5463 178.1614 45 S 4.1884 8.1984 115.2528 62.3053 63.1624 176.6580 46 C 4.4645 8.2018 118.3934 62.8331 27.8082 176.0455 47 V 4.3414 7.5126 111.2574 61.9217 31.7462 176.7124 48 S 3.7337 7.4658 112.2977 60.0362 60.7167 172.5341 49 L 4.6403 7.9325 118.1636 53.3311 44.4640 177.4845 50 T 4.3989 8.2063 119.1381 65.3625 69.5349 174.5652 51 Y 5.0764 6.9669 115.6520 55.0741 40.4902 173.7076 52 K 3.7743 9.3654 122.4627 56.2508 32.2399 174.5838 53 P 4.5544 0.0000 0.0000 62.7348 31.8926 175.9943 54 K 4.4049 8.6521 122.7309 56.1695 32.4501 176.3039 55 G 4.2237 7.8417 103.7873 43.1101 0.0000 173.4119 56 K 3.7226 8.6147 119.1549 57.3739 32.8886 175.5944 57 W 4.5263 8.6938 134.1144 55.6568 33.2419 173.3199 58 Y 4.6789 7.7765 125.4036 55.7254 39.3155 175.5592 59 C 2.4500 8.1766 119.5763 57.2441 29.9316 172.9699 60 P 4.2705 0.0000 0.0000 64.1971 30.9445 177.5365 61 K 4.2679 7.4980 117.4857 57.7389 32.8105 177.6632 62 C 4.3291 7.6297 116.7352 62.0427 28.5221 176.1579 63 R 3.8126 7.9132 115.6039 57.4903 29.8245 176.7975 64 G 3.9435 7.1678 108.5084 43.2246 0.0000 171.1178 65 D 4.6466 8.1128 121.9570 55.8423 43.5564 176.9267 66 S 3.9531 8.0069 113.1691 60.0620 63.0985 174.6484 67 G 4.2153 8.7868 114.8521 45.3921 0.0000 171.4216 68 P 4.3953 0.0000 0.0000 62.5080 32.4524 177.2383 69 S 4.1426 8.6961 115.0194 61.6075 62.3088 174.8870 70 S 4.6250 7.7950 114.7285 57.3807 64.2170 174.6242 71 G 3.7384 8.4241 110.0880 45.7990 0.0000 173.7124 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 G 8.35 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 0.00 0.00 0.00 2 S 8.43 4.36 0.00 3.91 3.78 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 3 S 8.77 4.21 0.00 3.83 3.96 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 0.00 0.00 0.00 0.00 4 G 7.54 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 5 S 8.51 4.46 0.00 3.79 3.72 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 6 S 8.48 4.20 0.00 3.83 3.78 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 7 G 8.71 3.80 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 0.00 0.00 0.00 8 E 7.76 4.28 0.00 2.10 1.51 0.00 0.00 0.00 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 2.25 0.00 9 F 8.10 3.69 0.00 3.16 3.16 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 10 A 7.93 4.71 1.22 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 11 I 8.35 4.37 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.77 0.93 0.00 0.00 12 D 8.41 4.73 0.00 2.90 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 13 P 0.00 4.19 0.00 2.20 2.22 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 N 7.79 4.40 0.00 2.73 2.88 0.00 0.00 7.06 7.53 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 15 E 8.40 4.62 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 16 P 0.00 4.58 0.00 1.97 2.02 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 17 T 7.79 4.82 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 1.27 0.00 0.00 18 Y 7.90 4.34 0.00 2.77 3.01 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 19 C 7.91 3.90 0.00 2.63 2.85 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 20 L 8.96 4.16 0.00 1.85 1.87 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.25 4.31 0.00 3.22 3.21 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 22 N 8.16 4.28 0.00 2.91 2.94 0.00 0.00 6.74 7.97 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 23 Q 7.44 4.82 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 7.16 0.00 0.00 0.00 0.00 0.00 2.59 2.34 0.00 24 V 8.39 4.08 2.24 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 0.72 0.00 0.00 0.95 0.00 0.00 25 S 8.39 4.10 0.00 3.48 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 4.61 0.00 2.94 2.93 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 0.00 0.00 0.00 27 G 8.36 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.02 4.29 0.00 1.16 1.12 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 1.63 1.89 0.00 29 M 8.62 5.97 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 30 I 8.54 4.58 1.55 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.44 0.00 0.00 31 G 8.25 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 0.00 0.00 0.00 32 C 9.05 4.22 0.00 3.35 3.11 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 0.00 0.00 0.00 0.00 33 D 8.78 4.13 0.00 1.98 1.54 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 34 N 7.95 4.57 0.00 3.24 2.88 0.00 0.00 6.90 7.69 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 35 E 8.89 4.60 0.00 1.97 1.99 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 2.38 2.30 0.00 36 Q 8.19 3.94 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 37 C 7.97 3.72 0.00 3.17 2.94 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 38 P 0.00 4.20 0.00 2.25 2.20 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 39 I 7.42 4.22 1.89 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 1.31 0.70 0.58 0.00 0.00 40 E 8.33 3.83 0.00 1.91 1.38 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 2.44 2.61 0.00 41 W 7.15 5.20 0.00 3.02 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.77 4.98 0.00 3.09 3.05 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 0.00 0.00 0.00 43 H 8.78 4.80 0.00 3.15 2.98 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.11 4.07 0.00 2.89 3.26 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 45 S 8.20 4.19 0.00 3.96 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 0.00 46 C 8.20 4.46 0.00 3.28 3.14 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 0.00 0.00 0.00 0.00 47 V 7.51 4.34 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.84 0.00 0.00 48 S 7.47 3.73 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.93 4.64 0.00 1.35 0.89 -0.17 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.21 4.40 3.90 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 1.35 0.00 0.00 51 Y 6.97 5.08 0.00 3.05 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 52 K 9.37 3.77 0.00 1.94 1.98 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.59 7.81 53 P 0.00 4.55 0.00 2.27 2.02 0.00 3.59 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 54 K 8.65 4.40 0.00 1.80 1.88 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 55 G 7.84 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 56 K 8.61 3.72 0.00 1.73 1.91 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 57 W 8.69 4.53 0.00 3.28 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.78 4.68 0.00 2.60 2.56 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 0.00 0.00 0.00 0.00 59 C 8.18 2.45 0.00 1.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.13 2.05 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 61 K 7.50 4.27 0.00 1.75 1.93 0.00 1.90 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.57 7.81 62 C 7.63 4.33 0.00 2.95 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 63 R 7.91 3.81 0.00 1.79 1.88 0.00 2.79 0.00 0.00 3.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 64 G 7.17 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 65 D 8.11 4.65 0.00 2.53 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 66 S 8.01 3.95 0.00 3.85 3.80 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 67 G 8.79 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 68 P 0.00 4.40 0.00 2.30 2.05 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 69 S 8.70 4.14 0.00 3.84 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.80 4.62 0.00 3.89 3.76 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 71 G 8.42 3.74 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 0.00 0.00 0.00