NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1226 8.0093 120.7866 60.9506 39.0475 178.2213 2 T 4.4064 8.8087 105.1734 59.0534 70.4967 171.4063 3 A 4.6791 8.8800 127.4344 50.2371 23.4118 176.6068 4 K 4.3137 8.2616 119.1087 55.2850 32.9403 175.5778 5 P 4.4494 0.0000 0.0000 61.6864 31.9491 176.5983 6 A 4.0571 8.4222 123.2373 52.7082 18.6629 178.3927 7 K 4.1881 8.7384 122.6976 59.0224 32.8221 177.7880 8 T 4.6268 7.3579 107.0645 58.0956 68.2911 171.1584 9 P 4.0592 0.0000 0.0000 64.5434 31.8176 177.1609 10 T 4.5251 8.2455 119.1505 61.9081 68.1166 175.2818 11 S 4.3464 8.5883 122.5508 57.2782 64.9719 173.1496 12 P 4.1764 0.0000 0.0000 65.7757 30.9948 178.5755 13 K 3.8360 8.0191 117.4898 59.7627 32.1475 178.2258 14 E 3.9473 7.8533 118.7076 59.6210 29.3904 179.5253 15 Q 3.9317 8.3314 117.7902 58.9626 28.7987 178.6035 16 A 3.9630 8.2861 122.0986 55.3643 18.2625 179.8318 17 I 3.7910 8.0410 118.4142 64.2607 37.2352 178.8529 18 G 3.5747 8.4577 107.0872 47.6458 0.0000 175.5468 19 L 3.7982 8.3997 123.1912 57.8104 42.1247 179.0652 20 S 4.0048 7.8080 115.0956 61.7921 62.8436 177.0141 21 V 3.6787 8.0210 120.8763 66.1602 30.6706 178.1438 22 T 4.0384 7.9509 115.4485 66.7615 68.4245 176.4138 23 F 4.2380 8.6739 119.6110 60.8494 38.9568 177.7902 24 L 4.1436 8.2924 118.6084 57.9458 41.2674 179.8053 25 S 4.1739 8.2513 112.6488 60.8523 62.7933 176.0824 26 F 4.2486 7.9845 120.5407 60.0231 39.1984 177.9931 27 L 4.1779 8.6033 118.9365 57.4470 41.4516 179.3759 28 L 4.0412 8.2298 119.1309 57.4761 41.7040 177.6041 29 P 4.2736 0.0000 0.0000 65.7538 31.2243 178.5884 30 A 4.2371 7.6980 116.6355 55.0521 18.3092 179.8773 31 G 3.6643 8.3758 104.3566 47.6080 0.0000 175.5082 32 W 4.2364 8.5483 130.9144 60.3823 30.5644 178.1166 33 V 3.8126 7.9190 116.1000 66.3092 31.4538 177.7255 34 L 4.1736 8.4427 118.9764 57.8411 41.1676 178.9012 35 Y 3.9641 8.4907 119.2342 60.4825 38.6558 176.8017 36 H 4.2938 7.6510 115.3113 55.6325 28.9464 177.0942 37 L 4.0363 7.2965 122.4111 58.2182 41.5083 179.0006 38 D 4.2440 7.8542 118.2071 56.7329 38.8895 178.0462 39 N 4.1791 7.2407 116.9132 55.9744 39.1698 175.6830 40 Y 4.6035 7.5690 117.9974 60.0640 38.3949 177.9324 41 K 4.0997 8.0129 118.0931 59.1453 32.2191 178.4496 42 K 4.2090 7.5423 115.4223 56.4056 31.9279 177.2429 43 S 4.3019 7.8611 121.5470 59.0257 63.2400 169.7832 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 I 8.01 4.12 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 1.47 1.34 0.91 0.00 0.00 2 T 8.81 4.41 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 1.21 0.00 0.00 3 A 8.88 4.68 1.21 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 0.00 0.00 4 K 8.26 4.31 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.45 0.00 2.04 1.97 0.00 3.69 0.00 0.00 3.66 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 6 A 8.42 4.06 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 7 K 8.74 4.19 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.36 4.63 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 1.21 0.00 0.00 9 P 0.00 4.06 0.00 2.19 2.13 0.00 3.83 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 1.99 2.02 0.00 10 T 8.25 4.53 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 11 S 8.59 4.35 0.00 4.06 3.99 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 12 P 0.00 4.18 0.00 2.16 2.15 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 13 K 8.02 3.84 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 14 E 7.85 3.95 0.00 2.15 1.98 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 2.32 2.35 0.00 15 Q 8.33 3.93 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 16 A 8.29 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 17 I 8.04 3.79 2.00 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 1.44 0.74 0.90 0.00 0.00 18 G 8.46 3.57 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 0.00 0.00 0.00 19 L 8.40 3.80 0.00 1.61 1.43 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.81 4.00 0.00 4.08 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 21 V 8.02 3.68 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 1.07 0.00 0.00 1.03 0.00 0.00 22 T 7.95 4.04 4.56 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 1.40 0.00 0.00 23 F 8.67 4.24 0.00 3.06 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 24 L 8.29 4.14 0.00 2.15 1.79 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.25 4.17 0.00 4.03 4.15 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 26 F 7.98 4.25 0.00 3.34 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 27 L 8.60 4.18 0.00 1.73 1.77 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.23 4.04 0.00 1.79 1.75 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.27 0.00 2.15 2.08 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 2.18 2.12 0.00 30 A 7.70 4.24 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 0.00 0.00 0.00 0.00 0.00 31 G 8.38 3.66 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 0.00 32 W 8.55 4.24 0.00 3.56 3.54 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 33 V 7.92 3.81 2.30 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 1.07 0.00 0.00 1.34 0.00 0.00 34 L 8.44 4.17 0.00 1.87 1.75 0.97 0.87 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 35 Y 8.49 3.96 0.00 2.93 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 36 H 7.65 4.29 0.00 2.44 2.19 0.00 5.88 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.30 4.04 0.00 1.85 1.65 0.93 1.05 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 38 D 7.85 4.24 0.00 2.81 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 39 N 7.24 4.18 0.00 2.34 2.38 0.00 0.00 7.19 7.23 0.00 0.00 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 Y 7.57 4.60 0.00 3.08 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 41 K 8.01 4.10 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 42 K 7.54 4.21 0.00 1.71 1.81 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.76 1.57 7.81 43 S 7.86 4.30 0.00 4.09 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