NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9266 8.3549 109.7365 45.6833 0.0000 175.6706 2 S 3.2954 8.3051 115.3691 58.0846 61.2779 171.8494 3 L 4.4300 9.1474 125.2288 57.8080 42.5300 175.9621 4 L 3.8823 7.7913 120.4646 54.6566 40.0280 174.2405 5 K 4.2755 7.6046 116.8121 54.8654 32.9853 175.0311 6 P 4.3635 0.0000 0.0000 62.3631 31.5151 175.9418 7 A 4.5590 8.5948 125.3636 51.9487 19.4708 176.2161 8 R 4.3091 7.7141 116.1930 54.5058 31.7563 176.4707 9 F 4.9923 7.2503 118.9502 55.8790 38.5091 174.6334 10 M 5.0064 7.6554 120.6210 55.4525 34.8644 173.7164 11 C 4.2968 8.3641 125.1313 59.8031 29.0491 174.7829 12 L 3.9304 8.5119 124.8909 57.5775 41.7360 176.8729 13 P 4.3961 0.0000 0.0000 65.8636 31.6213 177.9544 14 C 4.0759 8.0605 114.5086 63.1146 28.0737 175.1626 15 G 3.9059 8.0871 105.3323 44.7813 0.0000 172.8237 16 I 4.2953 7.4094 121.1383 60.1128 38.5359 174.7013 17 A 4.7996 8.6431 128.8778 50.8364 20.5843 175.8445 18 F 4.9101 9.4361 119.2457 55.8470 42.1427 175.6466 19 S 4.4745 8.8157 112.4509 58.0956 64.5187 174.7760 20 S 4.5832 7.9210 117.7110 55.4467 65.6338 172.6444 21 P 4.3656 0.0000 0.0000 65.9080 30.7634 178.6559 22 S 4.1730 8.0532 114.3276 61.6620 63.1032 176.0393 23 T 4.2394 7.9736 111.7228 64.1337 68.8866 176.4329 24 L 2.9521 7.6151 122.9746 57.5578 41.6722 178.4829 25 E 3.8520 7.5874 117.7366 59.3675 29.9411 178.5354 26 A 4.2575 7.9750 120.1326 55.1170 18.5137 178.9873 27 H 4.2509 8.0453 117.0972 59.5654 29.7969 176.9082 28 Q 4.3682 8.2249 116.1516 56.6088 28.8971 176.8091 29 A 4.7399 7.7477 121.1916 52.2229 19.4515 176.6875 30 Y 4.3309 7.5677 113.5261 59.6712 41.8110 175.9303 31 Y 4.1178 8.3469 120.1711 61.1549 39.2134 178.2039 32 C 4.4735 7.8519 115.8383 59.8761 28.2867 174.2861 33 S 4.3246 8.0350 111.7591 58.9180 62.2382 170.0582 34 H 5.1549 8.6147 120.9353 55.0354 28.6680 175.4113 35 R 4.3179 7.3830 116.1297 55.6447 31.1889 176.7367 36 I 4.0818 7.9532 118.2010 61.2941 38.3319 174.9854 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 3.93 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 0.00 0.00 0.00 2 S 8.31 3.30 0.00 4.10 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.15 4.43 0.00 1.69 1.71 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.79 3.88 0.00 1.83 1.83 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.60 4.28 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 6 P 0.00 4.36 0.00 2.06 2.00 0.00 3.68 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 2.03 2.08 0.00 7 A 8.59 4.56 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 8 R 7.71 4.31 0.00 1.72 1.72 0.00 3.13 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 9 F 7.25 4.99 0.00 3.26 3.23 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 0.00 10 M 7.66 5.01 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 11 C 8.36 4.30 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 3.93 0.00 1.61 1.69 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.40 0.00 2.04 2.11 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 14 C 8.06 4.08 0.00 2.84 2.72 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 15 G 8.09 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 0.00 0.00 0.00 16 I 7.41 4.30 1.84 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.45 1.04 0.00 0.00 17 A 8.64 4.80 1.30 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 0.00 0.00 0.00 18 F 9.44 4.91 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.47 0.00 3.85 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 20 S 7.92 4.58 0.00 3.93 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 21 P 0.00 4.37 0.00 2.28 2.36 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 22 S 8.05 4.17 0.00 3.90 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 23 T 7.97 4.24 4.82 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 1.36 0.00 0.00 24 L 7.62 2.95 0.00 1.55 1.78 0.43 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.59 3.85 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 26 A 7.97 4.26 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.05 4.25 0.00 3.04 2.98 0.00 5.78 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 28 Q 8.22 4.37 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 29 A 7.75 4.74 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 30 Y 7.57 4.33 0.00 2.97 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 31 Y 8.35 4.12 0.00 2.83 2.66 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 32 C 7.85 4.47 0.00 3.04 2.96 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 33 S 8.04 4.32 0.00 4.06 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 34 H 8.61 5.15 0.00 3.06 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.38 4.32 0.00 1.94 1.90 0.00 3.02 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 36 I 7.95 4.08 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 0.88 0.00 0.00