NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9510 8.3393 109.7362 45.0346 0.0000 173.6873 2 S 4.6150 7.8199 114.5757 55.3123 65.3372 171.6296 3 S 4.8200 8.5840 117.8832 56.7030 66.4950 174.8841 4 G 4.1672 8.0624 109.8660 43.7667 0.0000 173.2006 5 S 4.1031 8.8772 119.2785 61.3084 63.2066 175.3184 6 S 4.1731 8.0243 115.5724 57.5283 62.5783 173.2937 7 G 4.0786 8.2712 116.3036 42.7367 0.0000 170.5549 8 P 4.5970 0.0000 0.0000 62.9451 32.8726 175.0538 9 R 4.9802 8.0885 117.2084 55.0110 34.5579 174.3553 10 A 4.9492 8.6451 120.8690 50.1346 23.0580 174.9069 11 K 4.9129 8.7193 120.9500 54.1743 35.4163 175.4473 12 A 4.2179 8.4530 129.0116 52.3101 19.0302 177.9316 13 L 4.3567 8.5964 120.7991 56.3383 43.3846 176.1753 14 C 4.7499 7.8354 113.5710 57.7747 32.3021 172.5588 15 N 4.4019 8.7300 118.1184 53.8156 36.7256 173.9346 16 Y 4.1531 8.3912 123.6408 56.8753 39.2133 175.8014 17 R 4.5268 7.5447 113.7444 56.7684 30.6168 178.4964 18 G 3.8224 7.1304 113.3478 46.3397 0.0000 175.9026 19 K 4.4227 8.4595 126.0745 54.6634 33.3925 175.0145 20 N 4.9910 8.2692 120.5582 50.1620 42.2701 173.0140 21 P 4.1997 0.0000 0.0000 63.3511 31.5638 176.8713 22 G 3.9962 8.6940 115.1462 46.9442 0.0000 169.4173 23 D 5.2598 7.6421 115.4049 52.5232 45.4434 174.7852 24 L 4.9002 8.6090 121.4647 53.8017 43.7097 175.8086 25 K 4.8509 8.7796 125.6105 54.9501 33.5913 175.7684 26 F 5.1520 7.8166 119.0981 55.1742 41.8957 172.8466 27 N 5.1813 8.8921 118.4322 50.9930 39.5629 174.1348 28 K 4.1129 8.6128 121.6259 58.0998 32.7466 174.1109 29 G 4.2508 9.0057 115.4771 45.8801 0.0000 173.9145 30 D 4.3428 8.2998 119.4273 54.9370 42.0416 176.4558 31 V 4.9217 8.1965 122.5579 60.8760 32.9528 174.7357 32 I 4.2756 7.8624 129.0915 59.8656 39.1724 174.8946 33 L 4.4711 8.3754 126.8409 53.9476 42.9179 175.9978 34 L 4.2914 7.9576 125.0675 55.4418 40.7767 177.1351 35 R 4.1487 8.6738 124.9415 58.3906 31.2146 176.4999 36 R 4.3715 8.6631 121.1897 54.8184 33.1835 174.1112 37 Q 4.7385 8.8161 128.9843 54.5407 27.9686 175.0760 38 L 4.1361 8.4239 123.7112 57.1102 42.0044 177.0469 39 D 4.6616 7.4815 115.7603 53.6334 44.9645 175.4376 40 E 4.6534 8.6796 116.6957 57.1347 29.7204 176.7332 41 N 4.8448 8.0468 118.2857 53.5925 41.8804 174.1437 42 W 4.9938 7.7933 116.2540 54.9329 34.3754 174.0240 43 Y 4.9816 8.6938 118.2790 56.6471 42.0662 174.1478 44 Q 4.7808 9.0063 126.3105 54.8952 30.7995 173.8180 45 G 4.2536 8.6654 116.5444 44.3505 0.0000 169.6847 46 E 5.3067 8.7784 119.5002 54.7609 32.9392 175.2682 47 I 4.5246 8.6012 125.2657 60.5896 41.0717 174.8148 48 N 4.1852 9.9064 124.4606 54.4897 36.0497 174.2990 49 G 3.8225 8.3267 99.7554 46.5398 0.0000 174.0912 50 V 4.2727 7.9271 119.9409 60.6857 32.9299 174.4949 51 S 5.0161 8.5794 123.9855 57.8364 63.9070 173.8174 52 G 4.3413 8.3766 110.5276 46.1155 0.0000 171.5873 53 I 5.1733 8.3057 113.0409 59.1114 40.4185 174.7426 54 F 5.4459 8.6161 119.1375 54.4809 41.6572 172.4845 55 P 3.7959 0.0000 0.0000 62.3899 31.7822 175.8627 56 A 4.4205 7.6445 119.8355 52.8793 19.3713 179.5339 57 S 4.1911 7.6768 109.8371 60.4432 63.8836 175.5447 58 S 4.4418 7.8761 115.4481 59.9969 64.1682 174.1474 59 V 4.8909 7.2706 112.0424 59.3609 35.4338 174.7302 60 E 4.6717 8.9509 120.6322 54.5298 32.3008 177.1036 61 V 4.3127 8.3616 122.5502 63.0359 31.5180 177.4781 62 I 3.8323 7.5506 112.3882 62.7061 37.8388 176.5848 63 S 4.0734 7.0440 118.3843 60.0350 64.1424 171.6798 64 G 4.1012 9.2752 114.0468 44.6041 0.0000 173.6302 65 P 4.4793 0.0000 0.0000 62.5618 33.0145 177.1328 66 S 4.4537 8.0779 114.6494 57.0526 66.1352 174.2404 67 S 4.2975 8.6391 120.7248 57.6640 63.0329 173.9747 68 G 3.7460 8.5387 114.2483 45.9289 0.0000 173.3661 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 G 8.34 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 0.00 0.00 0.00 2 S 7.82 4.61 0.00 4.03 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 3 S 8.58 4.82 0.00 3.84 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 4 G 8.06 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 0.00 0.00 0.00 0.00 5 S 8.88 4.10 0.00 3.98 4.03 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 0.00 0.00 0.00 6 S 8.02 4.17 0.00 3.84 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 7 G 8.27 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 8 P 0.00 4.60 0.00 2.02 2.14 0.00 3.65 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 1.99 1.93 0.00 9 R 8.09 4.98 0.00 1.61 1.76 0.00 3.11 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 10 A 8.65 4.95 1.16 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 0.00 0.00 11 K 8.72 4.91 0.00 1.74 1.57 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.50 7.81 12 A 8.45 4.22 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 13 L 8.60 4.36 0.00 1.69 1.75 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.84 4.75 0.00 2.98 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 15 N 8.73 4.40 0.00 2.78 2.85 0.00 0.00 5.64 7.52 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 16 Y 8.39 4.15 0.00 2.23 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 17 R 7.54 4.53 0.00 1.90 1.99 0.00 3.32 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 18 G 7.13 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 0.00 0.00 0.00 19 K 8.46 4.42 0.00 1.66 1.71 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.32 7.81 20 N 8.27 4.99 0.00 2.62 2.72 0.00 0.00 6.76 7.55 0.00 0.00 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 P 0.00 4.20 0.00 2.20 2.12 0.00 3.97 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 22 G 8.69 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 23 D 7.64 5.26 0.00 2.75 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 24 L 8.61 4.90 0.00 2.03 1.99 1.30 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.78 4.85 0.00 1.70 1.70 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.42 7.81 26 F 7.82 5.15 0.00 3.00 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 27 N 8.89 5.18 0.00 2.76 3.00 0.00 0.00 6.73 7.51 0.00 0.00 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 K 8.61 4.11 0.00 1.68 1.83 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.26 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.61 7.81 29 G 9.01 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 0.00 0.00 0.00 0.00 30 D 8.30 4.34 0.00 2.83 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 31 V 8.20 4.92 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 0.67 0.00 0.00 0.88 0.00 0.00 32 I 7.86 4.28 1.43 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 0.97 0.57 0.97 0.00 0.00 33 L 8.38 4.47 0.00 1.66 1.60 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.96 4.29 0.00 1.49 1.56 0.65 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.67 4.15 0.00 1.84 2.16 0.00 3.24 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 36 R 8.66 4.37 0.00 1.80 1.74 0.00 3.31 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 37 Q 8.82 4.74 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.88 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 38 L 8.42 4.14 0.00 1.69 1.70 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.48 4.66 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.68 4.65 0.00 2.11 2.07 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 2.27 2.33 0.00 41 N 8.05 4.84 0.00 2.80 2.93 0.00 0.00 6.82 7.72 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 42 W 7.79 4.99 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.69 4.98 0.00 1.75 2.27 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 44 Q 9.01 4.78 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.48 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 45 G 8.67 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 0.00 0.00 0.00 0.00 46 E 8.78 5.31 0.00 1.94 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 2.22 2.46 0.00 47 I 8.60 4.52 1.84 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 1.33 1.56 0.96 0.00 0.00 48 N 9.91 4.19 0.00 2.88 2.85 0.00 0.00 7.08 7.67 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 49 G 8.33 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 0.00 0.00 0.00 50 V 7.93 4.27 2.29 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 1.23 0.00 0.00 1.07 0.00 0.00 51 S 8.58 5.02 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 4.34 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 0.00 53 I 8.31 5.17 2.13 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.06 0.97 0.00 0.00 54 F 8.62 5.45 0.00 2.90 3.31 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 55 P 0.00 3.80 0.00 1.77 1.17 0.00 3.31 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 56 A 7.64 4.42 0.95 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 0.00 0.00 57 S 7.68 4.19 0.00 3.95 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 58 S 7.88 4.44 0.00 3.98 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 59 V 7.27 4.89 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 0.21 0.00 0.00 1.20 0.00 0.00 60 E 8.95 4.67 0.00 1.83 1.78 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 2.21 2.21 0.00 61 V 8.36 4.31 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 0.93 0.00 0.00 0.91 0.00 0.00 62 I 7.55 3.83 1.86 0.00 0.00 0.84 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 0.56 0.90 0.00 0.00 63 S 7.04 4.07 0.00 4.13 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 64 G 9.28 4.10 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 0.00 0.00 0.00 65 P 0.00 4.48 0.00 2.18 2.06 0.00 3.95 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 1.97 1.97 0.00 66 S 8.08 4.45 0.00 3.81 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 67 S 8.64 4.30 0.00 3.82 3.75 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 68 G 8.54 3.75 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 0.00 0.00 0.00