NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2971 8.1127 119.7049 56.0686 31.6033 173.5460 5 E 4.7545 8.2000 119.1908 53.1823 32.5268 173.4751 6 C 4.3327 9.7056 127.8168 59.5801 32.5644 173.5260 7 D 4.4751 8.7058 127.1194 56.0123 39.7803 175.7478 8 Y 4.4205 7.0208 117.9798 58.9296 41.6312 176.3095 9 C 4.0587 8.1488 114.2200 59.7660 30.6537 175.6541 10 G 4.0247 8.3763 107.0879 44.8993 0.0000 173.3902 11 T 4.2616 7.6992 109.9052 61.2149 70.7576 173.3818 12 D 4.8715 8.5094 122.2720 53.9878 41.3747 176.5319 13 I 3.8501 8.2032 125.4754 60.9550 37.4701 176.0883 14 E 3.8917 8.9905 128.6301 55.6221 29.8187 174.9846 15 P 4.2664 0.0000 0.0000 64.3058 31.6980 176.0149 16 G 3.8388 9.6691 108.3991 46.5734 0.0000 172.8266 17 T 4.4835 7.6661 114.1953 62.7725 72.7116 174.1493 18 G 4.1411 8.7181 109.6340 45.7660 0.0000 172.6806 19 T 4.8114 8.3568 113.8574 61.7171 72.7714 173.2070 20 M 5.0774 8.7343 123.9692 53.8865 34.3118 174.4451 21 F 4.8183 9.5460 130.1385 57.2841 41.3112 174.5480 22 V 4.3041 7.6771 126.4088 61.3088 32.0594 175.1243 23 H 4.0090 8.8757 126.2977 55.0557 29.4821 176.9995 24 K 3.8668 8.7221 121.9551 59.7743 31.9198 177.9519 25 D 4.3846 7.9709 116.0786 54.4832 39.4319 176.4204 26 G 3.8621 7.6351 105.5171 44.9693 0.0000 174.1538 27 A 4.1672 8.9404 123.3086 52.5305 19.6009 176.5717 28 T 5.0100 8.4079 116.6671 62.0260 71.6314 173.9310 29 T 4.6578 8.9973 122.1511 62.1168 72.2005 172.6896 30 H 5.0467 9.3983 125.1696 54.9976 30.3983 174.5126 31 F 5.3265 9.4945 123.0961 55.8926 40.9749 176.8247 32 C 4.3731 9.1416 117.2863 60.2524 30.5429 173.5750 33 S 4.5944 7.5586 114.2611 56.4752 66.1966 175.8681 34 S 4.1384 8.3794 116.9192 61.1217 62.6947 176.1731 35 K 3.7831 7.9997 122.8694 59.6781 31.8107 178.3694 36 C 4.1545 7.6668 116.3939 62.8401 28.2255 175.6718 37 E 2.5400 7.5559 119.5974 59.2904 28.7236 179.4377 38 N 4.2055 8.0565 115.3339 56.2451 39.0142 177.0036 39 N 4.5045 8.1758 117.7176 56.2053 38.6673 177.2912 40 A 4.3030 7.7922 122.4296 55.4124 18.2544 179.4678 41 D 4.3389 7.5611 115.8090 56.8873 40.9174 178.0814 42 L 4.3115 7.4589 117.1182 54.8252 41.7686 177.8121 43 G 3.9814 7.9695 107.4594 45.5135 0.0000 174.2299 44 R 4.2716 7.7489 117.8509 55.6226 31.1058 175.5000 45 E 4.5881 8.4782 119.9666 54.2663 31.8503 176.8407 46 A 3.3805 8.1394 126.8508 55.3221 18.4700 179.6043 47 R 3.7993 7.7397 113.2799 59.3262 30.1378 177.3669 48 N 4.4946 8.2186 112.9453 53.6286 39.2165 174.6760 49 L 4.4860 7.3156 119.8584 52.6380 42.5637 177.3059 50 E 4.0092 8.8888 124.4098 58.6116 29.5729 178.2250 51 W 4.5742 7.6498 114.0724 57.8700 29.2095 176.9290 52 T 3.7568 6.8998 117.5542 63.1847 68.2180 174.9833 53 D 4.3308 8.8407 126.0530 57.8799 40.7192 177.9277 54 T 3.7643 7.3875 115.0408 66.2491 68.9239 175.1280 55 A 4.0323 7.8985 124.8161 55.2585 18.5856 177.5926 56 R 4.1160 7.8989 115.1349 56.4429 29.7119 176.1961 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 4.30 0.00 1.87 1.89 0.00 2.94 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 5 E 8.20 4.75 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 2.19 2.51 0.00 6 C 9.71 4.33 0.00 3.08 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 7 D 8.71 4.48 0.00 2.63 2.62 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 0.00 0.00 0.00 0.00 8 Y 7.02 4.42 0.00 2.93 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 9 C 8.15 4.06 0.00 3.25 3.45 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 0.00 10 G 8.38 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.70 4.26 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 8.51 4.87 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.85 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 0.97 0.00 0.00 14 E 8.99 3.89 0.00 1.92 1.92 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 2.32 2.40 0.00 15 P 0.00 4.27 0.00 2.23 2.06 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 16 G 9.67 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.48 4.47 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 1.24 0.00 0.00 18 G 8.72 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 0.00 0.00 0.00 0.00 19 T 8.36 4.81 4.35 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 1.29 0.00 0.00 20 M 8.73 5.08 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.37 0.00 21 F 9.55 4.82 0.00 3.30 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 22 V 7.68 4.30 1.86 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 0.73 0.00 0.00 0.84 0.00 0.00 23 H 8.88 4.01 0.00 3.29 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.72 3.87 0.00 1.74 1.87 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 1.44 7.81 25 D 7.97 4.38 0.00 2.82 2.79 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 26 G 7.64 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 27 A 8.94 4.17 1.16 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 0.00 0.00 28 T 8.41 5.01 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 1.14 0.00 0.00 29 T 9.00 4.66 4.35 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 0.63 0.00 0.00 30 H 9.40 5.05 0.00 3.11 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.49 5.33 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 9.14 4.37 0.00 3.17 3.17 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 33 S 7.56 4.59 0.00 4.03 4.01 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 34 S 8.38 4.14 0.00 3.98 4.10 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 35 K 8.00 3.78 0.00 1.76 1.84 0.00 1.42 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.47 1.41 7.81 36 C 7.67 4.15 0.00 3.18 3.09 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 0.00 37 E 7.56 2.54 0.00 1.78 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 2.21 0.00 38 N 8.06 4.21 0.00 2.73 2.79 0.00 0.00 7.12 7.90 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 39 N 8.18 4.50 0.00 2.98 3.10 0.00 0.00 6.91 7.50 0.00 0.00 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 7.79 4.30 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 41 D 7.56 4.34 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 4.31 0.00 1.92 1.73 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.97 3.98 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 0.00 0.00 0.00 44 R 7.75 4.27 0.00 2.14 1.98 0.00 3.30 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 45 E 8.48 4.59 0.00 1.96 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 2.29 0.00 46 A 8.14 3.38 0.54 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 0.00 0.00 47 R 7.74 3.80 0.00 1.72 1.93 0.00 3.14 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 48 N 8.22 4.49 0.00 2.73 2.82 0.00 0.00 6.95 7.76 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 49 L 7.32 4.49 0.00 0.95 0.92 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.89 4.01 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 2.33 0.00 51 W 7.65 4.57 0.00 3.56 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 52 T 6.90 3.76 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 0.69 0.00 0.00 53 D 8.84 4.33 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 3.76 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 1.07 0.00 0.00 55 A 7.90 4.03 1.27 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 0.00 0.00 0.00 56 R 7.90 4.12 0.00 1.92 1.91 0.00 3.14 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00