NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4886 0.0000 0.0000 62.4115 33.6429 175.0957 2 I 4.7898 8.2305 122.6221 59.2646 40.3959 172.8439 3 A 4.7483 9.1822 130.0398 49.9855 22.0613 174.5222 4 Q 4.8373 8.7080 123.1327 54.4612 31.2852 174.4214 5 I 4.4399 8.7001 128.3629 60.0328 39.5615 174.4847 6 H 5.2333 8.8125 124.2758 54.2114 30.0305 174.2254 7 I 4.6019 8.5036 116.9634 58.5375 41.0986 174.9890 8 L 4.6226 8.3197 123.7072 54.3164 42.2078 176.8760 9 E 3.9953 8.8947 121.8073 57.3563 29.6198 175.9231 10 G 3.4125 8.7681 111.5315 45.6119 0.0000 174.3960 11 R 4.3679 7.5652 119.6522 55.4354 31.3303 176.5703 12 S 4.5635 8.3792 114.9899 57.6153 65.6193 175.1538 13 D 4.3470 8.4557 121.6735 57.6470 40.5516 178.9533 14 E 3.9818 8.1146 118.5745 59.4618 29.5218 179.2691 15 Q 4.0154 7.9235 117.8881 58.9075 28.8032 178.8539 16 K 4.0903 8.0962 119.3276 58.9155 32.2420 179.0777 17 E 3.9881 8.2691 120.0786 59.2985 29.4931 179.0121 18 T 3.8750 7.9793 115.9934 66.3847 68.5693 176.3656 19 L 3.9367 7.9030 122.2585 58.4360 41.9524 179.1724 20 I 3.7242 7.8186 119.5873 64.1475 36.9464 178.5573 21 R 3.8567 7.8078 119.1059 59.4342 29.9897 178.1308 22 E 3.8950 8.4917 118.7460 59.7093 29.6401 179.5998 23 V 3.5879 7.8974 117.9081 66.2525 31.6404 178.2942 24 S 4.1678 7.9131 114.9477 61.4103 62.5298 176.5526 25 E 3.9623 8.2933 121.2235 59.2767 29.3645 178.8744 26 A 3.9978 8.1355 120.8805 55.3629 18.3417 179.8997 27 I 3.6437 7.7137 117.8689 64.4388 37.2804 178.2557 28 S 4.1821 7.8506 113.7967 61.7241 62.3426 176.6270 29 R 4.0064 8.3660 118.8499 59.2949 29.0517 178.8770 30 S 4.2481 7.9912 115.1500 60.3933 62.9111 175.4631 31 L 4.5347 7.7198 118.3835 53.1139 42.4021 175.6042 32 D 4.3301 7.4601 116.1955 55.1338 40.2132 172.8886 33 A 4.7342 7.7048 118.8507 48.9238 21.1714 176.0543 34 P 4.3181 0.0000 0.0000 62.4932 32.0973 177.0851 35 L 3.8981 8.8529 124.8423 58.3878 42.0189 178.9417 36 T 4.0104 7.9026 107.1930 63.7527 68.7159 174.8503 37 S 4.4105 7.9511 116.0911 59.2481 63.8671 174.6628 38 V 3.9968 7.4783 122.2729 62.9129 32.0680 175.5196 39 R 4.6386 8.7439 125.7177 54.4508 33.3092 174.4418 40 V 4.8636 8.5281 123.5440 61.1092 34.4001 174.6922 41 I 4.6164 8.6514 126.6157 59.6522 40.7444 174.1639 42 I 4.7633 8.4428 127.5821 59.9159 39.1668 175.1815 43 T 4.5155 8.6851 123.1837 61.7691 71.2997 173.1518 44 E 4.8415 8.8289 126.1750 55.9038 31.0970 175.7738 45 M 4.8615 8.8867 122.4647 53.2052 35.2859 175.3026 46 A 4.6284 8.5603 124.6612 51.6238 19.3784 178.5798 47 K 3.2558 9.3101 121.4036 59.3013 32.3918 178.6962 48 G 4.1777 8.0025 105.1513 45.6514 0.0000 173.4562 49 H 4.9549 9.1208 115.5819 54.9269 29.8036 173.3861 50 F 5.0693 8.1928 122.6862 56.2978 41.3231 173.7145 51 G 4.1617 8.3126 116.6535 43.6307 0.0000 172.6111 52 I 4.0274 8.1418 123.1889 60.0627 39.6166 176.0921 53 G 3.9007 9.4100 113.0146 46.0831 0.0000 173.4346 54 G 3.9849 8.3351 108.6338 44.9371 0.0000 174.2189 55 E 4.4819 7.6294 118.7144 54.6996 31.0802 175.8477 56 L 4.4782 8.0991 120.7576 54.3542 42.5382 178.2932 57 A 4.0557 8.8650 125.8538 55.3397 18.5570 179.6303 58 S 4.2881 7.9261 110.2000 60.1517 63.3015 174.5046 59 K 4.1740 7.6709 124.3740 56.6893 32.3334 175.6131 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 P 0.00 4.49 0.00 2.09 2.03 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 2 I 8.23 4.79 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 1.27 0.71 0.91 0.00 0.00 3 A 9.18 4.75 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 Q 8.71 4.84 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.66 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 5 I 8.70 4.44 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.88 0.00 0.00 6 H 8.81 5.23 0.00 2.91 3.11 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.50 4.60 1.81 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 1.17 1.17 0.86 0.00 0.00 8 L 8.32 4.62 0.00 1.51 1.62 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.89 4.00 0.00 1.93 2.06 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 2.30 2.27 0.00 10 G 8.77 3.41 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 0.00 11 R 7.57 4.37 0.00 1.80 1.96 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 12 S 8.38 4.56 0.00 4.22 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 13 D 8.46 4.35 0.00 2.78 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 14 E 8.11 3.98 0.00 2.05 1.99 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 2.39 2.46 0.00 15 Q 7.92 4.02 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.10 4.09 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.27 3.99 0.00 2.17 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 2.30 2.34 0.00 18 T 7.98 3.87 4.46 0.00 0.00 0.00 0.00 0.00 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 19 L 7.90 3.94 0.00 1.86 1.84 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.82 3.72 1.99 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 1.39 1.13 0.90 0.00 0.00 21 R 7.81 3.86 0.00 1.90 2.08 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.49 3.90 0.00 1.97 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 2.50 2.47 0.00 23 V 7.90 3.59 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 24 S 7.91 4.17 0.00 4.13 3.89 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 25 E 8.29 3.96 0.00 2.17 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 2.32 0.00 26 A 8.14 4.00 1.37 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 0.00 0.00 0.00 27 I 7.71 3.64 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 1.41 0.94 0.91 0.00 0.00 28 S 7.85 4.18 0.00 4.02 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 29 R 8.37 4.01 0.00 2.05 2.29 0.00 2.83 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 7.99 4.25 0.00 4.18 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 31 L 7.72 4.53 0.00 1.60 1.67 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.46 4.33 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.73 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 34 P 0.00 4.32 0.00 2.23 2.20 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 35 L 8.85 3.90 0.00 1.74 1.72 0.93 0.76 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 36 T 7.90 4.01 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 1.21 0.00 0.00 37 S 7.95 4.41 0.00 3.98 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 38 V 7.48 4.00 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 0.75 0.00 0.00 0.97 0.00 0.00 39 R 8.74 4.64 0.00 1.75 1.77 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 V 8.53 4.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.65 4.62 1.84 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 1.21 0.68 0.87 0.00 0.00 42 I 8.44 4.76 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.87 0.00 0.00 43 T 8.69 4.52 3.92 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 0.00 0.00 1.16 0.00 0.00 44 E 8.83 4.84 0.00 1.83 1.84 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 2.25 2.30 0.00 45 M 8.89 4.86 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 46 A 8.56 4.63 1.06 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 0.00 0.00 47 K 9.31 3.26 0.00 1.82 1.94 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.56 7.81 48 G 8.00 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.12 4.95 0.00 3.32 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 5.07 0.00 2.98 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 51 G 8.31 4.16 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 0.00 52 I 8.14 4.03 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.61 0.83 0.00 0.00 53 G 9.41 3.90 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 0.00 0.00 0.00 54 G 8.34 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 55 E 7.63 4.48 0.00 1.93 1.83 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 2.24 2.38 0.00 56 L 8.10 4.48 0.00 1.75 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.87 4.06 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 4.29 0.00 3.95 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.67 4.17 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81