NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2064 8.1701 117.3740 63.1696 69.8071 173.3354 3 A 4.1373 8.3571 127.5920 51.5266 19.3066 175.0508 4 L 4.7172 8.4427 120.5302 52.8718 45.0565 175.1572 5 A 4.2457 8.2534 124.9560 50.8227 19.5679 177.1732 6 K 3.8990 8.4873 122.3201 56.0566 31.9707 175.0946 7 P 4.5655 0.0000 0.0000 61.5072 32.5046 175.6937 8 Q 4.0883 8.4186 120.4340 56.5502 29.2527 175.5231 9 M 4.6719 8.6316 122.7023 54.8256 34.2564 175.6537 10 R 4.6068 7.8365 117.0999 55.1020 32.9470 175.3573 11 G 4.0574 8.5957 106.9139 46.6597 0.0000 176.0426 12 L 3.9994 7.9158 121.0397 57.0702 41.7376 178.6346 13 L 3.9071 7.8543 119.7833 58.1513 42.1545 178.6699 14 A 4.0137 7.9484 120.2929 55.1009 18.3421 179.3806 15 R 3.8356 8.2044 117.3245 59.5258 30.1559 178.7548 16 R 3.9843 8.0008 118.4800 59.2543 30.0186 178.1934 17 L 3.9644 8.1074 120.0954 58.2987 42.1798 178.9720 18 R 3.9262 8.2359 118.1749 59.3852 30.0788 178.7590 19 F 4.1499 8.2654 120.1796 61.8107 39.4434 176.8327 20 H 4.1808 8.4191 115.4050 58.2524 28.5173 177.9365 21 I 3.7677 8.0622 122.4350 64.2393 36.9258 178.5020 22 V 3.6702 7.7730 119.2610 65.9229 31.3689 178.3428 23 G 3.4187 7.8315 105.2555 47.6354 0.0000 175.5391 24 A 4.0253 8.1095 123.1154 54.8214 18.3395 179.5575 25 F 4.0823 8.2949 119.2967 61.6301 39.5190 177.2781 26 M 3.9646 8.1743 118.4045 58.5419 31.8184 179.0156 27 V 3.6344 7.8776 118.1725 65.8635 31.5367 178.3454 28 S 4.1534 7.8230 115.1136 61.3953 62.6249 176.5016 29 L 3.9350 7.6339 121.8257 57.8074 41.3713 179.9088 30 G 3.6114 8.1265 105.5889 47.6694 0.0000 175.5749 31 F 4.2819 8.4224 122.7804 60.8639 39.3676 177.1877 32 A 3.8876 8.4771 120.9051 55.5938 18.0061 179.7278 33 T 3.8290 7.8302 112.9106 66.6067 68.7069 176.4753 34 F 4.3026 8.2051 122.4974 61.4925 39.4353 176.5557 35 Y 3.6505 8.2488 119.5331 60.3119 38.3433 178.1144 36 K 4.6200 8.2201 118.1221 56.0557 33.1159 177.2988 37 F 4.7613 8.2132 120.7053 59.7521 45.4152 175.8067 38 A 3.6779 7.7174 120.8755 53.1646 18.7169 177.2372 39 V 3.8137 6.8498 113.0599 63.5850 33.3723 177.0264 40 A 3.9010 7.3659 120.7517 55.2576 18.2271 179.1863 41 E 3.8435 7.8908 115.6873 59.1954 29.6634 179.2987 42 K 3.6444 7.2777 118.7475 59.5229 32.2686 178.7451 43 R 3.9284 7.8635 118.6816 59.4122 30.0295 178.5865 44 K 4.0031 7.9756 118.3269 59.4397 32.0628 179.3076 45 K 3.9682 8.4495 120.0011 59.2631 32.1113 178.7068 46 A 3.9484 8.1944 121.2038 55.4781 18.3061 179.3118 47 Y 3.8077 8.1940 114.6925 60.9854 38.0105 178.2640 48 A 4.1738 8.4083 121.8601 55.3096 18.2735 179.4879 49 D 4.3219 8.4733 116.7582 57.3765 40.9842 178.4452 50 F 4.0001 8.0257 119.9714 61.4169 39.6189 176.3013 51 Y 4.5476 8.2978 114.6726 59.0082 37.6830 177.4397 52 R 4.0847 7.6785 119.7687 58.8940 30.3098 177.7482 53 N 5.0564 7.8062 113.5367 52.7965 39.6868 173.9306 54 Y 4.0601 7.6713 119.8516 57.4307 39.5508 175.0393 55 D 4.5051 7.7502 126.0113 52.0879 42.7385 176.4792 56 S 3.8155 7.8682 123.5449 61.4596 63.0973 176.2153 57 M 4.1204 7.9149 121.8498 58.0204 31.8541 178.3906 58 K 3.9520 8.3652 119.8486 59.4024 32.3334 178.3064 59 D 4.3635 8.1617 118.3599 57.4139 41.1364 178.0345 60 F 4.3702 8.5473 121.2885 61.2792 39.3079 176.5768 61 E 3.6353 8.7257 119.3896 59.2567 29.3042 178.6271 62 E 3.8983 8.2369 118.4896 59.8113 29.4133 179.3644 63 M 3.9354 7.9885 118.6652 58.1278 31.8708 178.8696 64 R 3.8927 7.9846 119.2799 59.4184 30.0678 178.8212 65 K 3.9281 8.0220 116.8245 58.8693 32.0639 178.4158 66 A 4.2600 7.4910 119.1875 51.9276 18.7126 177.6730 67 G 3.7894 8.0086 105.7428 46.3301 0.0000 175.2318 68 I 3.7696 7.0702 115.1297 62.2456 38.0657 176.3086 69 F 4.8782 7.4415 119.3418 56.9843 39.8113 175.1274 70 Q 4.3075 8.9358 124.5636 57.6251 29.4581 176.5191 71 S 4.5160 8.1511 109.3567 58.0713 63.9444 173.6583 72 A 4.5568 7.8876 123.5416 50.8494 20.8249 175.9741 73 K 4.2557 8.7751 120.9345 57.1589 32.3641 176.9062 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 2 T 8.17 4.21 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 3 A 8.36 4.14 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 4 L 8.44 4.72 0.00 1.61 1.56 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.25 4.25 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 6 K 8.49 3.90 0.00 1.72 1.77 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.57 0.00 2.21 2.03 0.00 3.81 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 1.97 1.94 0.00 8 Q 8.42 4.09 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.63 4.67 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 10 R 7.84 4.61 0.00 1.76 1.81 0.00 3.36 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 11 G 8.60 4.06 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 0.00 12 L 7.92 4.00 0.00 1.70 1.72 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.85 3.91 0.00 1.76 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.95 4.01 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 0.00 0.00 0.00 0.00 0.00 15 R 8.20 3.84 0.00 2.02 2.13 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 16 R 8.00 3.98 0.00 2.06 2.15 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 17 L 8.11 3.96 0.00 1.83 1.86 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.24 3.93 0.00 2.09 2.03 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 19 F 8.27 4.15 0.00 3.04 3.21 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 20 H 8.42 4.18 0.00 3.43 3.34 0.00 5.86 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 21 I 8.06 3.77 1.93 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 1.64 0.88 0.91 0.00 0.00 22 V 7.77 3.67 2.19 0.00 0.00 0.00 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 0.90 0.00 0.00 23 G 7.83 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.03 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 25 F 8.29 4.08 0.00 3.17 3.26 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 26 M 8.17 3.96 0.00 2.08 2.23 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 2.64 3.00 0.00 27 V 7.88 3.63 2.17 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 0.99 0.00 0.00 0.95 0.00 0.00 28 S 7.82 4.15 0.00 3.91 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 29 L 7.63 3.94 0.00 1.73 1.58 0.38 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.13 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.42 4.28 0.00 3.16 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 32 A 8.48 3.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 3.83 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 1.19 0.00 0.00 34 F 8.21 4.30 0.00 3.14 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 35 Y 8.25 3.65 0.00 2.50 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 36 K 8.22 4.62 0.00 1.87 1.85 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.61 7.81 37 F 8.21 4.76 0.00 2.87 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 38 A 7.72 3.68 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 39 V 6.85 3.81 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 0.00 0.00 0.66 0.00 0.00 0.28 0.00 0.00 40 A 7.37 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 3.84 0.00 1.87 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 2.53 2.35 0.00 42 K 7.28 3.64 0.00 1.77 1.74 0.00 1.58 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.22 7.81 43 R 7.86 3.93 0.00 2.06 2.03 0.00 3.25 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 44 K 7.98 4.00 0.00 1.99 1.86 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.55 7.81 45 K 8.45 3.97 0.00 1.87 1.76 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.45 7.81 46 A 8.19 3.95 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 0.00 0.00 0.00 0.00 0.00 47 Y 8.19 3.81 0.00 3.17 3.20 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 0.00 0.00 0.00 0.00 48 A 8.41 4.17 1.46 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 0.00 0.00 0.00 49 D 8.47 4.32 0.00 2.84 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 50 F 8.03 4.00 0.00 2.82 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 51 Y 8.30 4.55 0.00 3.38 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 52 R 7.68 4.08 0.00 2.05 2.01 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 53 N 7.81 5.06 0.00 2.68 2.74 0.00 0.00 6.84 7.46 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 54 Y 7.67 4.06 0.00 2.84 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 55 D 7.75 4.51 0.00 2.56 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 3.82 0.00 4.13 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 57 M 7.91 4.12 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 58 K 8.37 3.95 0.00 1.92 1.86 0.00 1.60 0.00 0.00 1.52 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.42 7.81 59 D 8.16 4.36 0.00 2.97 2.95 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 60 F 8.55 4.37 0.00 3.17 3.33 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 0.00 0.00 0.00 61 E 8.73 3.64 0.00 2.30 1.90 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 2.32 2.37 0.00 62 E 8.24 3.90 0.00 2.23 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 2.31 2.52 0.00 63 M 7.99 3.94 0.00 1.70 2.31 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.51 0.00 64 R 7.98 3.89 0.00 1.21 1.71 0.00 3.34 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 65 K 8.02 3.93 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 A 7.49 4.26 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 67 G 8.01 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 68 I 7.07 3.77 1.56 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.73 0.00 0.00 69 F 7.44 4.88 0.00 3.43 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 70 Q 8.94 4.31 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 71 S 8.15 4.52 0.00 4.01 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 72 A 7.89 4.56 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.78 4.26 0.00 1.79 1.75 0.00 1.96 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81