NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4503 8.1927 116.7951 58.5457 65.0524 175.5576 2 L 3.8231 7.9321 120.9195 56.8077 42.2645 175.6559 3 A 4.3011 7.4213 125.1857 50.5966 17.9264 175.9150 4 A 4.3335 7.6715 125.2584 51.4196 19.8404 176.4126 5 D 4.5385 7.7065 116.9005 53.5899 42.0461 172.1177 6 T 3.4108 8.4451 120.3740 62.5425 68.1411 170.5065 7 P 4.4996 0.0000 0.0000 62.2881 32.9604 176.2852 8 T 4.1441 8.1154 115.0763 62.1766 67.0919 173.9871 9 A 4.1693 8.1644 129.3911 52.0793 18.9925 177.7361 10 C 4.8489 8.4964 119.6988 55.3537 44.2362 174.8751 11 C 4.6927 8.7954 121.8082 56.9861 39.0026 173.3631 12 F 4.1372 8.5981 123.1958 57.6326 39.5714 176.7695 13 S 3.9089 7.6699 113.1538 58.0005 66.4399 174.5492 14 Y 5.0068 7.0893 123.7851 56.8592 40.2790 174.4143 15 T 4.5940 7.8351 113.9863 61.1572 69.3086 175.3558 16 S 4.3826 8.5802 119.7206 61.3227 63.2386 175.4071 17 R 4.0649 7.7296 118.2067 55.6724 30.4003 177.3011 18 Q 3.4309 8.0181 122.4884 54.9699 29.7785 175.6197 19 I 4.1328 5.8552 111.6435 58.5376 38.4893 172.9509 20 P 5.0711 0.0000 0.0000 62.1846 31.9400 177.2570 21 Q 3.6137 7.6564 114.4703 56.4697 28.1218 176.7549 22 N 4.4001 7.0971 118.6315 55.2595 39.5606 175.9128 23 F 4.8579 6.3898 115.0549 58.1296 40.8913 175.9367 24 I 4.2854 7.1166 119.8014 61.7637 37.6850 174.3000 25 A 4.7151 8.5589 122.8851 53.1559 26.3000 175.8235 26 A 5.1183 7.2016 115.9202 53.2120 21.9301 174.7180 27 Y 4.5357 7.1732 112.3372 57.8605 40.0483 172.4780 28 F 4.4996 7.9866 115.1391 56.0772 43.9050 175.0319 29 E 4.6265 8.6410 121.2684 55.8671 29.7274 176.5377 30 T 3.1450 7.5368 112.0748 63.3603 68.6176 171.4557 31 S 4.5022 8.4958 116.0571 57.7232 67.3553 174.4926 32 S 4.3800 8.2188 116.9545 59.6134 64.1111 175.1606 33 Q 3.5121 8.6469 120.4691 56.7667 26.8538 172.8795 34 C 5.4151 7.7868 110.1999 56.1993 43.7037 173.5074 35 S 3.9091 7.6749 115.6065 58.8657 61.6860 172.4268 36 K 4.4826 8.1468 125.5077 53.6220 33.5900 175.0210 37 P 4.2482 0.0000 0.0000 65.0795 32.0173 177.5446 38 G 3.9792 7.6328 106.4363 44.9760 0.0000 171.2544 39 V 4.6702 7.8490 110.8305 59.4310 36.0809 175.2326 40 I 4.6634 8.4273 123.2390 60.5141 39.6228 175.1687 41 F 5.2506 8.7376 122.9479 55.7200 43.1444 174.6295 42 L 5.1160 8.4984 115.6604 53.7956 42.1857 177.1775 43 T 4.8265 7.8702 108.8127 61.0226 68.9943 174.5297 44 K 4.2612 8.7037 118.5613 58.7790 32.3958 177.3791 45 R 4.4622 8.0292 117.7435 56.0664 30.0509 176.6398 46 S 3.6124 8.0453 110.8978 59.5477 60.5330 172.8816 47 R 4.5160 7.4348 119.9735 53.8160 29.9188 176.0374 48 Q 4.8306 8.5309 119.9978 56.0586 29.2512 177.2204 49 V 4.3618 8.3299 116.4178 61.6837 32.9417 176.4691 50 C 4.9965 8.8466 116.9479 56.7498 40.3380 171.6232 51 A 4.9868 7.9412 117.2356 51.1515 21.7968 175.9707 52 D 4.2266 9.0933 121.8194 53.5687 42.0680 174.6331 53 P 4.1124 0.0000 0.0000 62.7473 31.8030 176.4169 54 S 3.6084 8.4569 122.0718 59.5118 59.8870 172.0274 55 E 3.7917 7.5893 119.3556 55.9759 30.4433 176.3268 56 E 3.7510 8.6748 125.3470 59.4413 29.7823 179.1943 57 W 3.9302 7.9768 115.9229 59.3152 28.1447 178.0904 58 V 2.9365 5.9847 118.5297 65.7726 30.9194 178.1393 59 Q 3.5819 7.7328 117.7110 58.6144 28.3009 180.1382 60 K 3.9079 6.8747 119.5065 59.8592 32.4198 178.3283 61 Y 4.3859 7.4096 117.3378 61.1330 37.7581 178.4248 62 V 2.7508 7.6031 117.8303 64.6507 31.6443 177.4237 63 S 4.0829 7.0988 112.6583 62.6886 62.2965 174.4666 64 D 3.9575 7.2866 115.8578 56.9043 41.1091 177.1463 65 L 4.4860 7.5700 130.3298 53.6093 41.7827 176.3697 66 E 4.1866 8.1986 127.0234 53.9966 28.2823 174.2167 67 L 4.3041 8.1926 128.3065 54.6705 41.9004 174.8074 68 S 4.2517 7.6822 111.1554 58.2284 63.6423 173.7507 69 A 4.1462 8.3159 125.8678 52.7402 18.7370 175.7337 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 S 8.19 4.45 0.00 3.90 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 2 L 7.93 3.82 0.00 1.68 1.70 0.92 0.69 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 3 A 7.42 4.30 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 4 A 7.67 4.33 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 5 D 7.71 4.54 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 3.41 4.17 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 1.13 0.00 0.00 7 P 0.00 4.50 0.00 2.16 2.08 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 8 T 8.12 4.14 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 1.25 0.00 0.00 9 A 8.16 4.17 1.13 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 0.00 0.00 10 C 8.50 4.85 0.00 3.15 2.85 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 11 C 8.80 4.69 0.00 3.03 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 12 F 8.60 4.14 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.67 3.91 0.00 3.81 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 14 Y 7.09 5.01 0.00 3.20 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 15 T 7.84 4.59 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 1.30 0.00 0.00 16 S 8.58 4.38 0.00 3.94 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 0.00 17 R 7.73 4.06 0.00 1.78 1.83 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 18 Q 8.02 3.43 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.19 0.00 0.00 0.00 0.00 0.00 1.96 1.48 0.00 19 I 5.86 4.13 1.70 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.81 0.99 0.00 0.00 20 P 0.00 5.07 0.00 1.89 2.12 0.00 3.12 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.69 0.00 21 Q 7.66 3.61 0.00 1.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 22 N 7.10 4.40 0.00 2.33 2.72 0.00 0.00 6.92 6.66 0.00 0.00 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 F 6.39 4.86 0.00 3.12 2.92 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 0.00 24 I 7.12 4.29 1.76 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.30 0.83 0.00 0.00 25 A 8.56 4.72 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.20 5.12 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 27 Y 7.17 4.54 0.00 2.58 3.08 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 0.00 0.00 0.00 28 F 7.99 4.50 0.00 2.93 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 29 E 8.64 4.63 0.00 2.04 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 2.23 2.41 0.00 30 T 7.54 3.14 4.21 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 1.16 0.00 0.00 31 S 8.50 4.50 0.00 4.09 3.76 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 0.00 0.00 0.00 32 S 8.22 4.38 0.00 3.88 3.83 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 33 Q 8.65 3.51 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.68 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 34 C 7.79 5.42 0.00 3.12 3.30 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 35 S 7.67 3.91 0.00 3.83 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 36 K 8.15 4.48 0.00 1.72 1.60 0.00 0.97 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.37 1.15 7.81 37 P 0.00 4.25 0.00 2.12 2.08 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 38 G 7.63 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 39 V 7.85 4.67 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 0.53 0.00 0.00 0.50 0.00 0.00 40 I 8.43 4.66 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 1.10 0.00 0.00 41 F 8.74 5.25 0.00 3.28 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 42 L 8.50 5.12 0.00 1.62 1.68 1.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.87 4.83 4.41 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 1.43 0.00 0.00 44 K 8.70 4.26 0.00 1.81 1.95 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.48 7.81 45 R 8.03 4.46 0.00 1.90 1.94 0.00 3.43 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 46 S 8.05 3.61 0.00 3.98 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 47 R 7.43 4.52 0.00 1.91 1.94 0.00 3.23 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 48 Q 8.53 4.83 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.07 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 49 V 8.33 4.36 2.33 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 1.11 0.00 0.00 1.13 0.00 0.00 50 C 8.85 5.00 0.00 3.52 3.65 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 51 A 7.94 4.99 1.45 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 0.00 0.00 52 D 9.09 4.23 0.00 2.88 2.60 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 53 P 0.00 4.11 0.00 1.98 1.98 0.00 3.80 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 54 S 8.46 3.61 0.00 3.94 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 0.00 55 E 7.59 3.79 0.00 1.16 1.12 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 2.19 2.25 0.00 56 E 8.67 3.75 0.00 1.99 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 2.27 2.40 0.00 57 W 7.98 3.93 0.00 3.50 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 58 V 5.98 2.94 1.47 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 0.93 0.00 0.00 -0.78 0.00 0.00 59 Q 7.73 3.58 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.50 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 60 K 6.87 3.91 0.00 1.74 1.74 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.25 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.86 1.77 7.81 61 Y 7.41 4.39 0.00 3.16 2.96 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 0.00 0.00 0.00 62 V 7.60 2.75 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 0.66 0.00 0.00 0.71 0.00 0.00 63 S 7.10 4.08 0.00 4.01 3.83 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 64 D 7.29 3.96 0.00 2.59 2.67 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 65 L 7.57 4.49 0.00 1.89 1.70 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.20 4.19 0.00 1.84 1.82 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 2.16 2.18 0.00 67 L 8.19 4.30 0.00 1.78 1.87 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.68 4.25 0.00 4.01 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 69 A 8.32 4.15 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