NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1654 7.8827 121.0487 60.9808 40.3723 172.9397 2 V 5.2873 8.9646 122.2861 60.0749 34.1713 172.7776 3 C 5.3550 9.4011 124.8144 55.3419 45.2886 171.7430 4 H 5.3529 9.1802 118.0494 55.2208 29.4883 175.0676 5 T 4.6607 9.5757 118.2169 60.1486 70.8201 173.9677 6 T 4.7414 8.2877 113.6590 61.3610 69.7192 173.7087 7 A 4.5687 7.9005 123.5803 52.2460 19.1568 177.0628 8 T 4.4863 7.1903 110.4106 62.1445 70.9692 172.6787 9 S 4.1472 7.9249 115.8540 60.2901 62.7084 172.9754 10 P 4.7605 0.0000 0.0000 61.1286 32.9940 174.8598 11 I 4.3579 8.0342 113.9179 60.8103 38.6846 174.9744 12 S 4.8676 8.6115 119.6843 56.8502 66.9945 171.9849 13 A 5.7647 8.7545 119.8429 50.0578 21.9115 175.9924 14 V 4.5436 8.2672 121.4411 60.1550 35.5286 173.7972 15 T 5.4939 8.1305 117.0279 61.2861 69.8147 175.5271 16 C 4.4597 8.8108 125.1363 56.4407 35.1492 172.6457 17 P 4.5226 0.0000 0.0000 61.2739 32.2100 172.8767 18 P 4.3134 0.0000 0.0000 61.3653 29.9964 174.5795 19 G 4.0829 7.4568 115.1395 45.2321 0.0000 171.3619 20 E 4.7735 8.1859 118.1810 54.3313 32.0904 175.4165 21 N 5.0207 8.7810 117.8591 52.6826 41.3611 174.2525 22 L 4.8884 8.5617 118.8069 53.2856 45.1930 174.7841 23 C 5.4273 8.6877 117.8313 55.6595 42.2898 172.4485 24 Y 5.5892 8.6025 117.2159 55.8980 41.5939 174.2191 25 R 4.7272 9.1578 121.4533 54.7543 33.2658 173.8451 26 K 4.8908 8.7067 128.2452 56.1453 34.2167 175.3584 27 M 6.1091 9.1541 125.0621 53.4435 37.0108 174.1246 28 W 4.6459 8.8648 115.2676 55.6085 31.3090 173.7644 29 C 4.7495 9.2728 123.0907 57.2168 38.4858 173.3488 30 D 4.2462 9.7277 125.6242 51.7186 40.4571 175.0195 31 A 3.9864 7.4696 125.5274 51.5351 19.0796 177.5503 32 F 4.5255 11.2033 114.4103 57.2264 42.9839 176.3195 33 C 3.9423 8.7434 124.0952 59.9392 43.5165 175.4044 34 S 4.1759 8.1432 113.1512 61.0154 61.7328 174.1842 35 S 4.3159 7.5821 114.4437 59.9762 62.0569 175.7386 36 R 3.8561 7.1647 123.1180 53.5473 31.6573 181.9838 37 G 3.8270 8.2447 107.7969 45.3547 0.0000 173.4327 38 K 4.1995 8.8024 126.1181 56.5828 32.6148 176.6618 39 V 3.7940 9.3750 127.4883 62.7943 32.8170 174.7854 40 V 4.8346 8.4672 127.3104 61.3983 32.9167 174.2018 41 E 4.9901 9.2109 128.0316 54.6441 33.3585 174.1401 42 L 4.8633 8.7110 121.4517 52.7092 46.2280 175.9710 43 G 3.5859 6.6645 109.9654 45.9257 0.0000 170.8714 44 C 5.2242 8.2688 120.2364 55.7194 42.3485 171.8038 45 A 4.6474 9.5342 124.0717 51.7920 22.3793 176.7282 46 A 4.5918 8.7727 120.7923 52.5208 20.7150 176.3692 47 T 4.6935 7.6187 104.1025 59.9569 71.5498 174.5526 48 C 4.7339 8.2205 119.8734 53.9730 43.7468 171.4981 49 P 4.6084 0.0000 0.0000 61.7340 32.1858 176.0741 50 S 4.7078 7.9520 111.8030 56.9046 65.8451 172.9213 51 K 4.4134 7.9182 119.3186 55.3901 35.9466 175.2142 52 K 4.1987 8.4644 120.5549 55.7767 32.6502 175.7518 53 P 4.3166 0.0000 0.0000 65.4341 31.4712 176.8258 54 Y 4.3721 8.1511 117.8828 60.7470 38.5971 175.8511 55 E 4.3289 8.9514 119.6314 55.2648 32.1294 174.4201 56 E 4.8223 8.8403 123.5200 54.3395 33.6474 175.5426 57 V 4.9405 8.0276 114.1087 59.9305 35.5958 175.0639 58 T 4.4670 9.3215 117.1467 60.9121 70.0408 171.1857 59 C 6.1843 9.0779 121.5606 53.0126 43.2571 171.8188 60 C 5.2639 8.6883 115.3082 53.3240 45.6530 173.7720 61 S 4.6597 8.5558 111.8313 58.4569 63.0431 173.4015 62 T 4.6874 7.6416 117.2686 62.8473 72.0242 172.5331 63 D 4.8226 8.4315 120.6068 54.2800 42.3868 175.6793 64 K 3.5544 8.1832 121.4469 57.3817 30.2708 173.3700 65 C 4.5870 8.1850 112.7626 55.8889 42.9315 173.0648 66 N 4.9083 7.8110 118.2090 51.3573 36.7487 171.9305 67 P 4.5694 0.0000 0.0000 62.0658 33.7680 175.3307 68 H 4.1787 8.4898 118.3340 55.7026 30.1332 174.3727 69 P 4.2629 0.0000 0.0000 64.9612 31.4195 176.9036 70 K 4.4140 7.8172 117.4411 55.7683 32.2977 175.6267 71 Q 3.9857 7.6588 117.1565 55.9246 28.7876 176.2369 72 R 3.9540 8.5592 122.5585 55.5635 30.0368 174.7236 73 P 4.3034 0.0000 0.0000 63.6099 32.2294 176.7315 74 G 4.0147 8.8344 109.2457 45.9115 0.0000 173.2749 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 I 7.88 4.17 1.86 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 1.33 1.26 0.95 0.00 0.00 2 V 8.96 5.29 2.44 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 0.90 0.00 0.00 0.93 0.00 0.00 3 C 9.40 5.35 0.00 2.77 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 4 H 9.18 5.35 0.00 3.13 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.58 4.66 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 6 T 8.29 4.74 4.26 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 1.22 0.00 0.00 7 A 7.90 4.57 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 8 T 7.19 4.49 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 9 S 7.92 4.15 0.00 3.80 3.88 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 10 P 0.00 4.76 0.00 2.18 2.01 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 11 I 8.03 4.36 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.89 0.00 0.00 12 S 8.61 4.87 0.00 3.83 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 A 8.75 5.76 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 14 V 8.27 4.54 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 0.85 0.00 0.00 0.92 0.00 0.00 15 T 8.13 5.49 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 1.25 0.00 0.00 16 C 8.81 4.46 0.00 3.05 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 17 P 0.00 4.52 0.00 2.21 2.20 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 18 P 0.00 4.31 0.00 2.06 2.09 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 19 G 7.46 4.08 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 0.00 0.00 0.00 20 E 8.19 4.77 0.00 1.94 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 2.24 2.24 0.00 21 N 8.78 5.02 0.00 2.54 2.81 0.00 0.00 6.91 7.85 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 22 L 8.56 4.89 0.00 1.67 1.75 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.69 5.43 0.00 2.84 2.99 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 24 Y 8.60 5.59 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.16 4.73 0.00 1.88 1.82 0.00 3.07 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 26 K 8.71 4.89 0.00 1.83 1.67 0.00 1.44 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.25 7.81 27 M 9.15 6.11 0.00 2.00 1.92 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 2.57 2.36 0.00 28 W 8.86 4.65 0.00 3.33 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 9.27 4.75 0.00 2.89 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 30 D 9.73 4.25 0.00 2.45 2.36 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 0.00 31 A 7.47 3.99 1.20 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 0.00 0.00 32 F 11.20 4.53 0.00 3.28 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 33 C 8.74 3.94 0.00 2.94 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 34 S 8.14 4.18 0.00 3.90 3.96 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 35 S 7.58 4.32 0.00 4.27 3.36 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 0.00 36 R 7.16 3.86 0.00 2.10 1.70 0.00 3.15 0.00 0.00 3.10 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 37 G 8.24 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 0.00 0.00 0.00 38 K 8.80 4.20 0.00 1.69 1.92 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.50 7.81 39 V 9.37 3.79 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 1.11 0.00 0.00 0.73 0.00 0.00 40 V 8.47 4.83 2.23 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 0.77 0.00 0.00 0.94 0.00 0.00 41 E 9.21 4.99 0.00 2.13 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 2.29 2.49 0.00 42 L 8.71 4.86 0.00 1.46 1.42 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.66 3.59 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 0.00 0.00 0.00 0.00 44 C 8.27 5.22 0.00 2.93 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 45 A 9.53 4.65 1.36 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 0.00 0.00 0.00 46 A 8.77 4.59 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 47 T 7.62 4.69 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 48 C 8.22 4.73 0.00 2.89 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 49 P 0.00 4.61 0.00 2.15 2.00 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 50 S 7.95 4.71 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.41 0.00 1.84 1.72 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.35 7.81 52 K 8.46 4.20 0.00 1.84 1.79 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.51 7.81 53 P 0.00 4.32 0.00 2.15 2.20 0.00 3.86 0.00 0.00 5.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 54 Y 8.15 4.37 0.00 2.93 3.10 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 0.00 0.00 0.00 0.00 55 E 8.95 4.33 0.00 1.44 1.53 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 1.47 1.47 0.00 56 E 8.84 4.82 0.00 1.87 1.79 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 2.20 2.40 0.00 57 V 8.03 4.94 2.02 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 0.72 0.00 0.00 0.78 0.00 0.00 58 T 9.32 4.47 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 1.23 0.00 0.00 59 C 9.08 6.18 0.00 3.00 3.24 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 60 C 8.69 5.26 0.00 2.97 3.19 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 0.00 0.00 0.00 0.00 61 S 8.56 4.66 0.00 3.96 3.95 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 62 T 7.64 4.69 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 63 D 8.43 4.82 0.00 2.61 2.53 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 64 K 8.18 3.55 0.00 1.89 1.97 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.34 7.81 65 C 8.18 4.59 0.00 3.08 3.19 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 0.00 0.00 0.00 0.00 66 N 7.81 4.91 0.00 2.79 2.86 0.00 0.00 6.03 7.86 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 67 P 0.00 4.57 0.00 2.14 1.96 0.00 3.87 0.00 0.00 3.71 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 68 H 8.49 4.18 0.00 3.14 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.26 0.00 2.18 2.13 0.00 3.19 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 70 K 7.82 4.41 0.00 1.79 1.90 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.40 7.81 71 Q 7.66 3.99 0.00 2.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 72 R 8.56 3.95 0.00 1.79 1.90 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 73 P 0.00 4.30 0.00 2.17 2.05 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 74 G 8.83 4.01 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 0.00 0.00 0.00