NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1875 8.2549 117.2663 54.8761 31.0217 175.1346 2 P 4.0857 0.0000 0.0000 62.0016 32.0757 176.1562 3 D 4.4059 8.5879 122.3074 57.3900 41.5248 178.8123 4 F 4.3956 7.9926 114.4400 59.7148 37.7002 177.8241 5 C 4.5541 7.5917 116.2366 59.0306 40.0072 174.7719 6 L 4.2499 7.8084 118.9553 54.4661 42.0688 176.8596 7 E 4.2371 7.3623 119.4126 55.1139 30.0862 175.1102 8 P 4.4367 0.0000 0.0000 61.5624 32.1823 174.4625 9 P 3.7441 0.0000 0.0000 62.6022 31.5065 175.4129 10 Y 4.5006 7.9357 120.8331 55.7522 40.0642 175.0795 11 A 4.2377 8.4124 131.6984 52.8573 19.0074 178.5181 12 G 3.7857 6.5381 104.0550 44.6817 0.0000 172.7162 13 A 4.2452 8.1956 119.4412 53.0817 19.4847 178.5301 14 C 4.5455 7.7734 113.4826 56.8851 41.0450 174.0699 15 R 4.2936 8.1289 117.6561 56.0004 30.4630 176.4767 16 A 4.2090 7.5804 121.2466 51.9362 20.1007 177.3623 17 R 4.3391 8.3493 117.4016 54.2685 31.9253 174.1051 18 I 4.4672 8.4501 124.1332 59.1297 40.0368 174.7873 19 I 4.3881 8.3500 128.3305 61.0596 37.8425 175.4263 20 R 4.9135 8.5283 124.7509 54.7275 34.9672 173.5302 21 Y 5.5529 9.4232 117.9664 56.5600 40.9506 175.2741 22 F 5.7817 9.5701 116.9150 55.3602 42.1586 172.9265 23 Y 4.3912 9.9034 122.6752 57.2255 40.0231 173.7416 24 N 4.8266 8.2548 126.7326 52.1789 39.1660 175.4106 25 A 3.7381 8.5123 130.2745 54.2860 19.2016 178.4913 26 K 4.0236 8.1398 116.3541 59.3890 32.4565 177.9021 27 A 4.0340 8.1032 120.6660 52.8126 18.5871 177.4281 28 G 3.8595 8.4855 103.5207 45.9118 0.0000 173.1024 29 L 4.7613 6.9706 116.6258 53.1550 46.8589 175.6758 30 C 5.0927 8.6609 117.9501 56.1389 39.6102 173.3150 31 Q 4.9212 8.5475 121.9060 54.1547 32.5649 174.6778 32 T 4.9387 8.3672 110.7621 61.0789 70.8388 173.6306 33 F 5.0539 9.1392 117.2279 55.8882 42.1696 172.9730 34 V 4.4595 8.4146 119.5645 61.6353 32.5621 174.0859 35 Y 4.7064 8.7049 130.3161 56.2855 40.5524 176.1684 36 G 3.8648 8.0651 112.4907 45.9310 0.0000 175.1969 37 G 3.8199 6.4217 108.3495 44.9137 0.0000 174.0725 38 C 5.0302 6.6516 115.3147 56.1413 43.9225 173.5119 39 R 3.8585 8.8912 119.0112 56.6761 27.0387 176.6483 40 A 4.0674 8.5243 119.1138 52.9702 18.7362 178.6079 41 K 4.3479 8.3085 121.2313 55.0013 34.0282 176.9990 42 R 3.6589 8.0689 117.7211 58.8262 30.4489 177.5653 43 N 4.7841 7.8628 117.7405 51.2022 37.2749 174.0207 44 N 4.9170 6.5327 115.2021 53.1185 40.9517 173.1068 45 F 5.0524 9.3951 124.9635 55.6269 42.4917 176.5700 46 K 4.4593 8.8474 121.3432 57.9242 32.7859 177.6543 47 S 4.5003 7.7223 112.8133 55.4915 67.1030 174.4958 48 A 3.3779 7.3870 124.6030 55.0705 17.9560 179.7287 49 E 3.7297 7.8086 117.2062 59.5574 29.7661 178.7017 50 D 4.2413 7.9621 118.9085 57.2707 40.7806 177.8481 51 C 2.4500 7.6355 118.8128 59.1687 44.2566 175.7687 52 L 3.7530 7.8217 120.6685 57.5599 40.9345 179.3899 53 R 3.7672 7.7847 118.0135 59.7347 30.0722 178.4429 54 T 4.0804 7.4850 114.2229 65.9909 68.7550 175.5111 55 C 4.5422 7.8976 115.4512 56.7167 41.6551 175.4629 56 G 3.2542 7.8033 109.6414 47.6139 0.0000 174.8013 57 G 3.5674 8.0026 108.5628 45.2279 0.0000 173.3092 58 A 4.1237 8.0875 125.0474 51.6842 18.3402 177.2109 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 R 8.25 4.19 0.00 1.78 2.16 0.00 3.03 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 2 P 0.00 4.09 0.00 1.31 1.74 0.00 3.27 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.02 0.00 3 D 8.59 4.41 0.00 2.79 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 4 F 7.99 4.40 0.00 3.24 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.59 4.55 0.00 2.94 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 6 L 7.81 4.25 0.00 1.74 1.76 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.36 4.24 0.00 2.08 1.91 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 2.43 2.46 0.00 8 P 0.00 4.44 0.00 2.09 2.01 0.00 3.78 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 1.97 1.94 0.00 9 P 0.00 3.74 0.00 0.73 0.49 0.00 3.32 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 10 Y 7.94 4.50 0.00 2.78 2.89 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 0.00 0.00 0.00 0.00 11 A 8.41 4.24 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.54 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 13 A 8.20 4.25 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 14 C 7.77 4.55 0.00 2.90 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 15 R 8.13 4.29 0.00 1.71 1.89 0.00 3.21 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 16 A 7.58 4.21 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 17 R 8.35 4.34 0.00 1.61 1.80 0.00 3.13 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 18 I 8.45 4.47 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.98 0.00 0.00 19 I 8.35 4.39 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.76 0.00 0.00 20 R 8.53 4.91 0.00 0.95 1.91 0.00 3.44 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 21 Y 9.42 5.55 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.57 5.78 0.00 3.27 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 23 Y 9.90 4.39 0.00 3.10 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 24 N 8.25 4.83 0.00 2.37 2.44 0.00 0.00 6.67 7.75 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 25 A 8.51 3.74 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.02 0.00 1.72 1.96 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 A 8.10 4.03 1.24 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 0.00 0.00 0.00 28 G 8.49 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.97 4.76 0.00 1.45 1.45 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 5.09 0.00 2.88 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 31 Q 8.55 4.92 0.00 1.38 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 32 T 8.37 4.94 4.05 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 0.61 0.00 0.00 33 F 9.14 5.05 0.00 3.02 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 34 V 8.41 4.46 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.70 4.71 0.00 2.50 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.42 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 0.00 0.00 0.00 38 C 6.65 5.03 0.00 2.92 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 39 R 8.89 3.86 0.00 2.22 2.21 0.00 3.32 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 40 A 8.52 4.07 1.01 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 0.00 0.00 41 K 8.31 4.35 0.00 1.73 1.69 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.15 1.17 7.81 42 R 8.07 3.66 0.00 1.11 0.66 0.00 2.30 0.00 0.00 2.83 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.28 0.00 43 N 7.86 4.78 0.00 3.17 2.90 0.00 0.00 6.72 7.79 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 44 N 6.53 4.92 0.00 2.71 2.63 0.00 0.00 7.09 7.02 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 45 F 9.40 5.05 0.00 3.23 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 46 K 8.85 4.46 0.00 1.83 1.94 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.72 4.50 0.00 3.86 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 48 A 7.39 3.38 0.96 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 0.00 0.00 49 E 7.81 3.73 0.00 1.96 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 2.31 2.33 0.00 50 D 7.96 4.24 0.00 2.94 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 51 C 7.64 2.45 0.00 2.81 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 52 L 7.82 3.75 0.00 1.60 1.60 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.78 3.77 0.00 1.77 2.05 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 54 T 7.49 4.08 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 55 C 7.90 4.54 0.00 2.56 2.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 3.25 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 0.00 0.00 0.00 0.00 57 G 8.00 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 58 A 8.09 4.12 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