NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3170 8.2493 123.5824 51.9016 19.2588 177.5517 2 D 4.4471 7.8322 120.9938 51.1000 37.5327 173.2191 3 Q 4.5110 8.7387 125.1314 54.5843 31.2151 177.7396 4 L 4.2409 8.5026 123.7129 54.9952 42.4122 177.7500 5 T 4.3523 8.4853 113.7241 60.8880 71.3233 175.8286 6 E 3.9488 8.6104 121.1637 59.7672 29.4463 179.6059 7 E 3.9095 8.0272 118.0003 59.4858 29.6632 179.2274 8 Q 3.5034 7.8204 117.6741 58.7226 28.6378 178.9648 9 I 3.7913 7.7868 120.7028 64.1187 37.0764 178.3154 10 A 3.9504 8.0220 121.6535 55.2336 18.3000 179.1356 11 E 3.8605 8.0441 117.8122 59.6113 29.5204 179.1202 12 F 4.7312 7.7274 117.6224 60.6052 39.0108 177.5862 13 K 3.6968 8.5439 119.4321 59.4142 31.8254 178.7119 14 E 4.0404 8.7518 120.1347 58.8737 29.1906 179.2385 15 A 4.1455 7.9144 119.5355 55.1816 18.6307 179.1277 16 F 4.0004 8.7530 119.8501 61.3612 38.9559 177.5248 17 S 4.2132 8.7598 114.4206 61.4314 62.4875 176.3949 18 L 3.9093 7.6492 121.7455 56.7976 41.2756 177.9158 19 F 4.3407 7.6203 114.9744 57.1105 39.0140 176.1323 20 D 4.6418 7.5161 123.0181 52.6110 39.4895 176.0276 21 K 4.0761 8.2078 123.8354 58.2558 32.5598 177.8003 22 D 4.6223 8.1536 115.8981 53.3969 41.2971 176.2664 23 G 3.8722 8.0992 107.5394 46.8457 0.0000 174.3220 24 D 4.5944 8.6409 117.8894 52.3691 40.3722 176.9910 25 G 4.0684 10.1700 110.3232 46.0257 0.0000 172.8005 26 T 5.6011 7.9036 107.9037 59.6937 72.1193 173.1044 27 I 4.7630 8.9634 115.8024 59.2224 41.5399 174.8293 28 T 4.6071 8.3058 113.5883 61.2053 70.3158 175.8846 29 T 3.9207 8.2564 112.3322 65.0128 68.4125 176.7906 30 K 4.0933 7.6402 118.7215 58.3308 32.3714 178.0162 31 E 4.3630 7.8226 117.3823 56.0646 29.7678 177.6096 32 L 3.9991 7.5742 121.7341 58.1080 42.1921 178.8068 33 G 3.6669 8.0533 105.0725 48.3240 0.0000 175.4429 34 T 3.8131 7.6881 117.8347 66.1722 68.2498 176.6933 35 V 3.0618 6.9802 118.9702 65.9860 31.7694 177.6532 36 M 4.2751 8.2192 118.5680 58.6078 31.8879 178.9259 37 R 4.4386 8.6034 120.1190 58.8106 30.0260 179.3065 38 S 4.3077 8.2159 113.0481 60.8673 63.1748 175.6736 39 L 4.4637 7.7686 120.7654 54.9595 41.8276 177.0659 40 G 4.0694 8.3949 107.3390 46.0561 0.0000 173.4566 41 Q 4.7020 8.0483 116.1169 53.7696 32.4533 174.3413 42 N 5.0760 8.3265 118.5178 51.0090 39.0204 171.6666 43 P 4.6735 0.0000 0.0000 61.6026 33.1478 177.5740 44 T 4.3258 8.1126 111.6475 60.9214 71.2084 175.9667 45 E 3.9316 8.5432 120.0397 59.5445 29.5012 179.4543 46 A 3.9858 7.9375 120.2996 55.2325 18.4984 179.3966 47 E 3.9466 7.9361 116.4939 59.3819 29.4991 179.6117 48 L 3.9860 7.9338 119.1187 57.9092 41.6247 179.5281 49 Q 4.0044 8.3844 118.3692 58.9192 28.6590 178.4122 50 D 4.2845 8.1546 119.0795 57.6772 41.2611 178.2205 51 M 4.0732 8.0948 119.1601 58.3281 31.8475 178.9363 52 I 3.7648 7.7968 120.0965 64.4753 37.1351 178.2491 53 N 4.4330 8.2891 116.3492 55.8829 38.3223 177.2125 54 E 4.1130 7.8455 119.5539 59.3933 29.8668 179.1350 55 V 3.7485 7.5207 116.0742 64.4421 32.2846 175.5913 56 D 4.9305 7.5934 117.7712 53.0663 41.1427 176.4977 57 A 4.1168 8.0346 123.4422 55.3559 18.8588 179.0048 58 D 4.3830 7.9674 113.5893 55.6145 41.5789 176.7272 59 G 4.0485 8.8187 107.8240 45.7929 0.0000 173.5796 60 N 4.6789 8.7160 114.8143 51.2819 37.6147 174.9616 61 G 4.7021 10.0369 108.2692 46.6537 0.0000 172.9131 62 T 4.8392 7.4299 106.3928 59.6662 72.3892 173.1966 63 I 4.9843 9.0828 124.0858 59.7436 40.9961 174.7880 64 D 5.2506 8.7045 125.7799 51.9658 41.9237 177.3638 65 F 3.2389 8.3465 120.8405 60.8006 39.1801 175.4728 66 P 3.9748 0.0000 0.0000 65.9864 30.9861 178.1473 67 E 3.9215 8.8849 118.7607 58.9897 29.3605 179.0840 68 F 4.0078 8.1197 120.8432 61.1364 39.3700 177.2487 69 L 3.7637 7.8059 119.0327 57.9471 41.3375 179.6369 70 T 3.7711 7.8642 115.7372 66.7500 68.3585 176.7590 71 M 3.9234 7.7628 120.6750 58.4015 31.8967 178.7166 72 M 3.6050 7.5072 118.5320 58.2305 31.8493 178.6452 73 A 3.9668 7.6863 119.5848 55.2876 18.5782 179.6383 74 R 3.9715 7.6908 115.7105 59.1911 30.1831 179.0939 75 K 4.0951 7.6990 117.4636 59.0816 32.1280 177.5564 76 M 4.3513 7.8040 122.9595 55.5468 32.0439 175.9540 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 A 8.25 4.32 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.83 4.45 0.00 2.86 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 3 Q 8.74 4.51 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 L 8.50 4.24 0.00 1.73 1.80 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.49 4.35 4.23 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 1.22 0.00 0.00 6 E 8.61 3.95 0.00 2.02 2.04 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 2.41 2.41 0.00 7 E 8.03 3.91 0.00 1.92 1.93 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 2.37 2.32 0.00 8 Q 7.82 3.50 0.00 2.15 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 9 I 7.79 3.79 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.79 1.13 0.00 0.00 10 A 8.02 3.95 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 11 E 8.04 3.86 0.00 2.02 1.85 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 2.36 2.36 0.00 12 F 7.73 4.73 0.00 3.61 3.37 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 13 K 8.54 3.70 0.00 1.83 1.78 0.00 1.41 0.00 0.00 1.45 0.00 0.00 2.53 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.06 0.21 7.81 14 E 8.75 4.04 0.00 2.10 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 2.33 2.42 0.00 15 A 7.91 4.15 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.75 4.00 0.00 3.15 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 17 S 8.76 4.21 0.00 4.04 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 18 L 7.65 3.91 0.00 1.82 1.18 0.96 0.96 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 19 F 7.62 4.34 0.00 2.71 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 20 D 7.52 4.64 0.00 2.59 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 21 K 8.21 4.08 0.00 1.76 1.82 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 22 D 8.15 4.62 0.00 2.88 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 23 G 8.10 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.64 4.59 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.17 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.90 5.60 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 I 8.96 4.76 1.61 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.21 -0.08 0.00 0.00 28 T 8.31 4.61 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 T 8.26 3.92 4.25 0.00 0.00 0.00 0.00 0.00 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 30 K 7.64 4.09 0.00 1.80 1.92 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.48 7.81 31 E 7.82 4.36 0.00 1.95 1.85 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 2.32 2.30 0.00 32 L 7.57 4.00 0.00 1.82 1.75 1.22 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.05 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.81 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 1.30 0.00 0.00 35 V 6.98 3.06 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 0.77 0.00 0.00 0.10 0.00 0.00 36 M 8.22 4.28 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.69 0.00 37 R 8.60 4.44 0.00 1.97 2.00 0.00 3.13 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 38 S 8.22 4.31 0.00 4.15 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 39 L 7.77 4.46 0.00 1.92 1.90 1.19 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.39 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.05 4.70 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 42 N 8.33 5.08 0.00 2.61 2.67 0.00 0.00 7.05 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 43 P 0.00 4.67 0.00 2.20 2.00 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 44 T 8.11 4.33 4.23 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 1.20 0.00 0.00 45 E 8.54 3.93 0.00 2.03 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 0.00 2.39 2.37 0.00 46 A 7.94 3.99 1.30 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 0.00 0.00 0.00 47 E 7.94 3.95 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 2.31 2.33 0.00 48 L 7.93 3.99 0.00 1.86 1.70 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.38 4.00 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 50 D 8.15 4.28 0.00 2.79 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 M 8.09 4.07 0.00 2.04 2.22 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 2.57 2.84 0.00 52 I 7.80 3.76 2.04 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 1.53 1.26 0.92 0.00 0.00 53 N 8.29 4.43 0.00 2.79 2.88 0.00 0.00 7.12 7.92 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 54 E 7.85 4.11 0.00 1.93 1.97 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 2.31 2.33 0.00 55 V 7.52 3.75 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 0.92 0.00 0.00 0.98 0.00 0.00 56 D 7.59 4.93 0.00 2.64 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 57 A 8.03 4.12 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 58 D 7.97 4.38 0.00 2.64 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 59 G 8.82 4.05 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 0.00 0.00 0.00 60 N 8.72 4.68 0.00 2.97 3.06 0.00 0.00 6.18 7.68 0.00 0.00 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 G 10.04 4.70 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 0.00 0.00 0.00 62 T 7.43 4.84 4.29 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 1.31 0.00 0.00 63 I 9.08 4.98 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 1.16 0.00 0.00 64 D 8.70 5.25 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.35 3.24 0.00 2.57 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 66 P 0.00 3.97 0.00 2.25 2.26 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.08 0.00 67 E 8.88 3.92 0.00 2.29 2.05 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 2.33 2.40 0.00 68 F 8.12 4.01 0.00 3.28 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 69 L 7.81 3.76 0.00 1.53 1.50 0.58 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.86 3.77 4.27 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 1.14 0.00 0.00 71 M 7.76 3.92 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 72 M 7.51 3.60 0.00 1.41 1.82 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 73 A 7.69 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.69 3.97 0.00 1.92 1.93 0.00 3.28 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 75 K 7.70 4.10 0.00 1.83 1.77 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.49 7.81 76 M 7.80 4.35 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.78 0.00