NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3792 8.1127 119.6569 56.1257 32.4385 173.6008 5 E 4.7995 8.3751 120.5531 53.1311 32.3268 173.4401 6 C 4.2409 9.7037 128.0378 59.8342 32.5599 173.4227 7 D 4.4228 8.7261 126.3952 55.8987 39.6791 175.9657 8 Y 4.3760 7.1217 118.8231 58.8777 41.1367 176.3056 9 C 3.9798 8.0711 114.4107 59.4477 30.7199 175.6188 10 G 4.0758 8.3523 107.2512 44.9145 0.0000 173.3265 11 T 4.3566 7.6783 109.9025 61.4089 70.6033 173.0872 12 D 4.9393 8.4635 122.0308 54.0705 41.7871 176.5439 13 I 4.0806 8.3533 125.0217 60.1990 37.3627 175.7037 14 E 3.8724 9.0177 128.9292 55.6071 29.7792 174.4755 15 P 4.3496 0.0000 0.0000 64.6035 31.4873 175.9537 16 G 3.8581 9.6104 107.8744 46.5863 0.0000 172.9214 17 T 4.5213 7.3625 114.1264 62.6736 72.8519 174.5097 18 G 4.1518 8.8616 108.1937 45.9026 0.0000 172.6183 19 T 4.8345 8.2717 113.7141 61.7056 72.8290 173.0982 20 M 5.1024 8.7105 123.4838 53.8707 34.7097 174.3420 21 F 4.8325 9.4088 129.8365 56.9785 41.2404 174.5548 22 V 4.2865 7.7905 126.8823 61.6561 32.0337 175.4336 23 H 4.0615 8.9216 126.1962 54.9519 29.5080 176.6869 24 K 3.8073 8.7637 122.1875 59.8378 31.8105 177.6843 25 D 4.4459 7.9473 115.1204 53.8122 39.6712 176.3992 26 G 3.9540 7.9706 107.3883 45.3413 0.0000 174.2926 27 A 4.1854 9.3117 123.1755 52.9027 19.6638 176.6120 28 T 5.0181 8.3884 115.4243 62.0281 71.9712 173.6593 29 T 4.6584 8.8168 122.3801 62.0963 71.9101 172.6730 30 H 5.0388 9.6995 125.2017 54.8874 30.3180 174.6824 31 F 5.3641 9.5016 122.5477 55.9947 41.6154 176.2781 32 C 4.5048 8.9512 115.4004 59.2269 30.6455 173.4731 33 S 4.5682 7.4330 114.6244 56.7286 66.0447 176.0043 34 S 4.7504 8.2401 117.6975 60.7734 62.8276 175.8340 35 K 3.7189 8.0831 122.9333 59.6646 31.6530 178.2236 36 C 4.1296 7.7450 115.0895 62.9296 28.2089 175.5577 37 E 2.5734 7.4401 119.7754 59.4210 29.0455 179.5760 38 N 4.1988 8.6304 116.6945 56.3101 38.4691 177.3462 39 N 4.4059 8.1882 117.6886 56.0033 38.5574 177.3419 40 A 4.0978 7.8767 122.5894 55.4754 18.3469 179.4490 41 D 4.3521 7.7359 115.6300 57.2422 40.9077 178.4070 42 L 4.2813 7.4501 116.8118 55.0230 41.7238 177.8810 43 G 3.9676 8.4927 107.7527 45.5872 0.0000 174.2054 44 R 4.3222 7.5812 118.1299 55.5625 31.0957 175.6711 45 E 4.6214 8.4335 118.9876 54.2583 32.0065 177.0560 46 A 3.5172 8.1443 126.7169 55.3301 18.4133 179.7238 47 R 3.8400 7.6961 113.3071 58.8496 30.2025 177.2091 48 N 4.5336 8.2820 113.5238 53.2516 39.4078 174.7460 49 L 4.4809 7.1971 119.7182 52.8030 42.1935 177.1516 50 E 3.9611 8.8948 124.7648 59.0369 29.5712 178.7732 51 W 4.3652 7.8859 114.2404 58.6650 28.8196 176.6161 52 T 3.6911 6.8107 117.6928 63.0103 68.3009 174.8994 53 D 4.2864 8.8393 126.5083 57.8959 40.6106 177.7191 54 T 3.6463 7.6109 113.9500 66.9907 69.0006 174.7939 55 A 4.0218 7.8603 124.4815 55.4706 18.6606 177.6679 56 R 4.0724 7.9954 117.9849 56.6037 30.0072 176.5769 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 4 R 8.11 4.38 0.00 1.78 1.90 0.00 3.02 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 5 E 8.38 4.80 0.00 1.94 1.76 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 2.13 2.48 0.00 6 C 9.70 4.24 0.00 3.09 2.90 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 7 D 8.73 4.42 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.12 4.38 0.00 2.97 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 9 C 8.07 3.98 0.00 3.11 3.34 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 10 G 8.35 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 0.00 0.00 0.00 11 T 7.68 4.36 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 1.33 0.00 0.00 12 D 8.46 4.94 0.00 2.61 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 13 I 8.35 4.08 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.97 0.00 0.00 14 E 9.02 3.87 0.00 2.06 1.89 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 2.40 2.40 0.00 15 P 0.00 4.35 0.00 2.23 2.07 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.61 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 17 T 7.36 4.52 4.57 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 1.25 0.00 0.00 18 G 8.86 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 0.00 0.00 0.00 19 T 8.27 4.83 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 20 M 8.71 5.10 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.39 0.00 21 F 9.41 4.83 0.00 3.33 3.22 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 22 V 7.79 4.29 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 0.73 0.00 0.00 0.85 0.00 0.00 23 H 8.92 4.06 0.00 3.32 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.76 3.81 0.00 1.74 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 7.95 4.45 0.00 2.82 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 26 G 7.97 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 0.00 0.00 0.00 27 A 9.31 4.19 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.39 5.02 4.26 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 1.21 0.00 0.00 29 T 8.82 4.66 4.37 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 0.00 0.00 0.00 0.62 0.00 0.00 30 H 9.70 5.04 0.00 3.05 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.50 5.36 0.00 3.00 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 32 C 8.95 4.50 0.00 3.16 3.15 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 33 S 7.43 4.57 0.00 4.02 4.03 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 34 S 8.24 4.75 0.00 3.97 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 35 K 8.08 3.72 0.00 1.74 1.85 0.00 1.39 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.35 1.33 7.81 36 C 7.74 4.13 0.00 3.28 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 37 E 7.44 2.57 0.00 1.70 1.33 0.00 0.00 0.00 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 2.06 0.00 38 N 8.63 4.20 0.00 2.63 2.76 0.00 0.00 7.08 5.77 0.00 0.00 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 8.19 4.41 0.00 3.04 3.14 0.00 0.00 6.92 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 40 A 7.88 4.10 1.23 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 0.00 0.00 41 D 7.74 4.35 0.00 2.70 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 42 L 7.45 4.28 0.00 1.91 1.74 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.49 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 0.00 0.00 0.00 44 R 7.58 4.32 0.00 2.13 2.00 0.00 3.24 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 45 E 8.43 4.62 0.00 1.95 1.77 0.00 0.00 0.00 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 2.28 0.00 46 A 8.14 3.52 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.70 3.84 0.00 1.73 1.92 0.00 3.13 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 48 N 8.28 4.53 0.00 2.64 2.84 0.00 0.00 6.94 7.62 0.00 0.00 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 7.20 4.48 0.00 1.08 1.11 1.24 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.89 3.96 0.00 2.03 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 0.00 2.32 2.32 0.00 51 W 7.89 4.37 0.00 3.60 3.24 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 52 T 6.81 3.69 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 0.96 0.00 0.00 53 D 8.84 4.29 0.00 2.80 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 54 T 7.61 3.65 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 1.06 0.00 0.00 55 A 7.86 4.02 1.29 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 0.00 0.00 56 R 8.00 4.07 0.00 1.90 1.84 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00