NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5274 8.3049 120.3753 55.4863 33.5788 174.5264 2 I 3.0602 7.7990 121.1279 59.3184 36.9311 168.4791 3 V 3.4351 8.5761 122.8013 61.3573 33.1524 173.7291 4 P 4.3976 0.0000 0.0000 61.2916 31.0887 176.4780 5 V 3.5244 8.2782 124.1108 63.7993 31.9806 172.2915 6 R 3.8541 8.6322 131.8747 55.5235 30.1610 175.4769 7 C 3.9901 8.6692 122.1309 58.7832 31.7825 173.5429 8 F 4.3549 7.8198 125.8276 60.9965 38.6753 176.8363 9 S 4.1350 7.7912 116.5258 61.6685 63.2002 175.5442 10 C 4.3835 7.7593 113.9854 59.3712 30.9187 174.1778 11 G 3.9801 7.9418 107.9359 45.4023 0.0000 174.3683 12 K 3.7307 8.2829 121.0938 56.5027 32.4747 176.1378 13 V 3.9982 8.1418 125.1517 64.1546 31.8330 176.0471 14 V 4.3239 7.8956 119.6521 63.9090 33.1422 174.3864 15 G 3.7737 8.3844 109.7547 48.3796 0.0000 175.3971 16 D 4.5195 8.2728 119.8535 56.1165 39.8300 178.4011 17 K 4.0367 8.7533 119.8735 57.9937 31.9950 178.5637 18 W 4.4509 8.1889 129.1118 60.5988 30.4672 177.3974 19 E 3.8319 8.3137 117.6795 59.5176 29.1990 179.1093 20 S 4.2448 8.1011 114.5366 62.2341 62.9450 175.6686 21 Y 3.9421 7.8006 121.7060 60.3133 38.2236 177.4558 22 L 3.4011 7.4151 121.2160 57.0040 42.0688 178.3218 23 N 4.1717 7.6021 116.2660 56.3361 39.3815 176.4577 24 L 4.0086 7.7290 119.0716 57.1721 41.7073 178.0887 25 L 4.2484 7.8565 118.9944 55.1258 42.0606 178.1137 26 Q 3.8722 7.3208 122.1217 60.1339 29.6463 178.2099 27 E 4.1156 8.1977 119.0819 57.2033 30.1625 177.2750 28 D 4.2429 8.2973 125.2263 56.0410 42.1544 177.2415 29 E 3.9591 7.6391 114.7123 56.1359 26.9943 173.8696 30 L 4.7975 7.6957 118.9815 52.2011 45.2116 176.9911 31 D 4.5393 8.5575 121.5053 52.9841 40.7265 176.2127 32 E 3.4782 9.1461 113.3199 59.9783 30.1088 181.1606 33 G 3.9983 8.4447 109.2298 48.0504 0.0000 175.6733 34 T 3.8569 7.7031 117.7720 66.1154 68.5155 176.1945 35 A 3.9652 8.1497 122.7406 55.5859 18.3638 179.2091 36 L 3.9556 8.1930 115.9898 58.4646 41.6483 179.6968 37 S 4.1292 7.9884 114.2924 62.1545 62.6447 177.1657 38 R 4.0034 7.7845 119.4461 58.9748 29.9752 177.8668 39 L 4.2590 7.8042 117.0207 55.4129 41.5344 177.5976 40 G 3.8532 7.6714 107.1950 46.1627 0.0000 174.6826 41 L 4.5050 7.3706 121.6247 52.2582 41.6490 177.2795 42 K 4.0444 8.6602 126.5571 57.0146 31.5673 179.3158 43 R 4.1162 9.1936 112.8029 56.5739 31.5371 176.6798 44 Y 4.3412 9.3910 121.5707 60.3822 37.3921 178.6898 45 C 3.9739 7.5374 115.4546 61.6357 29.8793 175.3192 46 C 4.1989 7.8979 117.0361 60.3501 29.6006 175.1890 47 R 3.8514 7.7473 120.3312 59.5623 29.3795 178.7796 48 R 3.9636 8.7527 115.7706 59.7890 28.9042 177.9368 49 M 3.8313 7.5720 117.9346 58.9192 32.3936 178.1190 50 I 3.8795 7.4414 118.6949 64.3237 37.4611 178.0167 51 L 4.1232 7.5345 119.1785 57.2264 41.9445 177.2704 52 T 4.5639 7.3114 111.8065 63.7349 70.1053 173.7943 53 H 4.1522 8.0384 122.6811 55.9144 30.1480 174.8774 54 V 4.1383 8.1149 126.3785 60.7707 31.5050 174.6495 55 D 4.6920 7.9388 127.2255 54.2220 39.2488 176.5517 56 L 3.6850 8.5946 125.1752 57.2734 41.8905 178.3731 57 I 4.2574 8.1127 118.1717 64.3782 37.7370 177.0658 58 E 3.9862 7.5182 118.3047 59.5845 29.6590 179.2730 59 K 3.9851 8.3104 118.6031 59.2689 32.0492 179.3805 60 F 4.5991 7.7276 117.6348 60.8605 38.7230 177.5027 61 L 4.2169 8.2731 117.2714 57.1265 41.4646 178.6267 62 R 4.0812 7.6650 116.9238 56.5346 30.3783 175.7451 63 Y 4.5422 7.0572 115.5086 57.6473 39.9001 174.8561 64 N 4.3911 9.1404 122.3058 54.7914 38.3031 173.1881 65 P 4.4624 0.0000 0.0000 63.0265 31.5654 177.0009 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 M 8.30 4.53 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 2 I 7.80 3.06 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.17 0.86 0.00 0.00 3 V 8.58 3.44 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.52 0.00 0.00 4 P 0.00 4.40 0.00 1.77 1.85 0.00 3.46 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 5 V 8.28 3.52 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 0.80 0.00 0.00 0.93 0.00 0.00 6 R 8.63 3.85 0.00 2.00 2.09 0.00 3.26 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 1.53 1.59 0.00 7 C 8.67 3.99 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 4.35 0.00 3.06 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 9 S 7.79 4.14 0.00 3.82 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 10 C 7.76 4.38 0.00 3.03 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 11 G 7.94 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 12 K 8.28 3.73 0.00 1.78 1.69 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.44 7.81 13 V 8.14 4.00 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 0.82 0.00 0.00 0.93 0.00 0.00 14 V 7.90 4.32 2.03 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 0.74 0.00 0.00 0.95 0.00 0.00 15 G 8.38 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.27 4.52 0.00 2.95 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 17 K 8.75 4.04 0.00 1.89 1.98 0.00 1.58 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.55 7.81 18 W 8.19 4.45 0.00 3.45 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 19 E 8.31 3.83 0.00 2.00 2.01 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 2.42 2.56 0.00 20 S 8.10 4.24 0.00 4.00 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 21 Y 7.80 3.94 0.00 2.94 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 22 L 7.42 3.40 0.00 0.76 1.16 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.60 4.17 0.00 3.08 2.77 0.00 0.00 7.03 6.69 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 24 L 7.73 4.01 0.00 1.55 1.61 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.86 4.25 0.00 1.37 1.35 0.40 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.32 3.87 0.00 1.79 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 27 E 8.20 4.12 0.00 2.01 1.74 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 2.31 2.27 0.00 28 D 8.30 4.24 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.64 3.96 0.00 1.97 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 2.22 2.49 0.00 30 L 7.70 4.80 0.00 1.61 1.49 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.56 4.54 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 32 E 9.15 3.48 0.00 2.16 1.96 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 2.51 2.57 0.00 33 G 8.44 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 0.00 0.00 0.00 34 T 7.70 3.86 4.59 0.00 0.00 0.00 0.00 0.00 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 35 A 8.15 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.96 0.00 1.91 1.78 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.99 4.13 0.00 4.10 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 38 R 7.78 4.00 0.00 1.85 1.96 0.00 3.26 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 39 L 7.80 4.26 0.00 1.90 1.74 1.09 0.90 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 40 G 7.67 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.37 4.51 0.00 1.68 1.63 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.66 4.04 0.00 1.72 1.56 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 43 R 9.19 4.12 0.00 1.85 2.04 0.00 3.20 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 44 Y 9.39 4.34 0.00 3.29 3.18 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 45 C 7.54 3.97 0.00 3.03 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 46 C 7.90 4.20 0.00 3.13 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 47 R 7.75 3.85 0.00 2.01 2.09 0.00 3.29 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 48 R 8.75 3.96 0.00 2.07 2.32 0.00 2.82 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 49 M 7.57 3.83 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 50 I 7.44 3.88 1.71 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 0.42 0.00 0.00 51 L 7.53 4.12 0.00 1.61 1.84 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.31 4.56 4.40 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 1.24 0.00 0.00 53 H 8.04 4.15 0.00 2.82 2.87 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.11 4.14 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 0.86 0.00 0.00 0.96 0.00 0.00 55 D 7.94 4.69 0.00 2.47 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.59 3.69 0.00 1.99 0.99 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.11 4.26 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 1.04 0.00 0.00 58 E 7.52 3.99 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 59 K 8.31 3.99 0.00 1.42 1.64 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.32 7.81 60 F 7.73 4.60 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.27 4.22 0.00 1.99 1.78 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.67 4.08 0.00 1.70 1.64 0.00 3.17 0.00 0.00 3.08 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 63 Y 7.06 4.54 0.00 3.32 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 64 N 9.14 4.39 0.00 2.75 2.65 0.00 0.00 7.06 7.69 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 65 P 0.00 4.46 0.00 2.23 2.04 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00