NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7242 8.4393 115.4503 55.0707 43.1014 173.7288 2 S 3.9675 8.6944 117.7174 59.3452 63.2476 172.5745 3 N 4.9246 8.3534 117.4446 50.1063 42.4641 176.1139 4 L 3.9473 8.4572 121.0967 58.3914 41.9593 178.8071 5 S 4.1301 8.1090 114.7213 61.9723 62.8906 176.7475 6 T 3.9394 8.6125 112.7400 64.7529 68.4171 175.7589 7 C 4.2409 8.2975 121.4416 59.4289 41.1332 175.7224 8 V 3.5178 7.9079 119.8590 66.0069 31.1131 177.6071 9 L 4.1236 8.3888 120.6471 58.0744 41.8970 179.2997 10 G 3.5544 8.2579 105.5817 47.7143 0.0000 175.7694 11 K 3.9689 8.0007 121.6047 59.2014 32.0585 179.4666 12 L 3.9920 8.3853 119.4558 57.8735 41.3708 179.7997 13 S 4.1347 8.2425 115.3834 61.6375 62.6666 176.5516 14 Q 4.0043 7.9924 121.9997 59.1782 28.8223 177.9911 15 E 3.9887 8.4918 119.9542 59.2082 29.4383 179.1180 16 L 3.9640 8.3401 120.8513 58.3162 42.1887 178.4165 17 H 4.4259 8.4229 119.7669 58.6601 29.7223 177.1988 18 K 3.8969 8.3830 120.7979 59.5285 31.9792 179.2647 19 L 4.0811 8.0357 119.9254 58.9475 40.2721 179.3937 20 Q 4.0197 8.3588 118.9556 59.0343 28.6731 178.6952 21 T 3.9332 8.3242 117.1365 66.8007 68.4005 176.1351 22 Y 3.9073 8.2609 118.6627 61.0495 37.9704 178.6974 23 L 4.0071 8.1434 119.4291 57.9029 41.7533 179.4811 24 A 4.0175 8.2042 120.6256 55.5282 18.2354 179.8575 25 T 3.7630 8.3434 114.5773 66.8079 68.6151 176.5217 26 N 4.3307 8.5727 119.6477 56.7541 38.7296 177.0806 27 T 4.0296 7.9081 110.5587 64.8508 69.1857 176.8229 28 G 3.7917 8.1823 107.8969 46.7994 0.0000 174.0656 29 S 4.6655 7.8219 110.8462 59.3961 67.9220 175.6644 30 G 3.7834 8.4461 109.6559 47.4155 0.0000 173.9086 31 T 4.4011 7.7463 108.1561 62.1843 70.6380 172.3533 32 P 4.4213 0.0000 0.0000 62.5086 31.6391 175.5798 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 C 8.44 4.72 0.00 3.10 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 2 S 8.69 3.97 0.00 4.08 4.04 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 0.00 0.00 0.00 3 N 8.35 4.92 0.00 2.98 2.93 0.00 0.00 6.60 6.37 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 4 L 8.46 3.95 0.00 1.78 1.71 0.92 0.88 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 5 S 8.11 4.13 0.00 4.03 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 0.00 6 T 8.61 3.94 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 1.26 0.00 0.00 7 C 8.30 4.24 0.00 3.28 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 8 V 7.91 3.52 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 1.02 0.00 0.00 0.98 0.00 0.00 9 L 8.39 4.12 0.00 1.87 1.83 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.26 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.97 0.00 2.00 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 12 L 8.39 3.99 0.00 1.80 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.24 4.13 0.00 4.02 3.92 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 14 Q 7.99 4.00 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 15 E 8.49 3.99 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 16 L 8.34 3.96 0.00 1.84 1.86 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.42 4.43 0.00 3.29 3.56 0.00 5.71 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 18 K 8.38 3.90 0.00 2.08 1.98 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.65 7.81 19 L 8.04 4.08 0.00 1.94 1.94 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.36 4.02 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 21 T 8.32 3.93 4.27 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 1.08 0.00 0.00 22 Y 8.26 3.91 0.00 3.24 2.97 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 23 L 8.14 4.01 0.00 1.91 1.75 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.20 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 3.76 4.14 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 1.13 0.00 0.00 26 N 8.57 4.33 0.00 3.03 2.86 0.00 0.00 7.06 6.87 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 27 T 7.91 4.03 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 1.25 0.00 0.00 28 G 8.18 3.79 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 0.00 0.00 0.00 29 S 7.82 4.67 0.00 3.92 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 30 G 8.45 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 0.00 0.00 0.00 31 T 7.75 4.40 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 1.29 0.00 0.00 32 P 0.00 4.42 0.00 2.20 2.07 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00