NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.2866 8.2649 123.5809 52.2812 19.9467 176.3044 8 L 4.1508 8.2983 122.3390 54.6346 41.9795 171.1874 *10 V 4.0846 8.1989 113.4563 61.5431 33.5605 174.0623 11 T 5.0532 8.3010 118.6834 62.4088 69.7105 175.5538 12 R 4.3315 9.0030 126.0482 55.0661 31.1866 177.0473 13 E 3.8789 8.8294 120.1139 59.5362 29.3819 177.2917 14 D 4.5290 7.9843 114.8376 53.3887 39.8038 176.9646 15 G 3.8862 8.1609 109.7170 45.0963 0.0000 174.2618 16 S 4.2673 8.0235 114.6873 58.2563 64.8345 173.0545 17 F 5.6871 9.0769 119.7778 55.9413 41.5635 174.5376 18 L 5.1748 8.9107 123.8175 53.5074 42.8485 176.2246 19 I 4.8427 8.5814 124.3264 59.2707 41.0935 174.8319 20 D 4.6008 9.3451 127.0488 53.9050 41.8650 177.4912 21 G 3.8954 9.0270 114.0765 47.8074 0.0000 174.8469 22 T 4.1576 8.2476 108.3786 61.9360 69.4723 174.8426 23 L 3.9451 7.9738 126.4872 54.6224 42.6412 174.5624 24 P 4.8286 0.0000 0.0000 62.5138 33.2550 177.4837 25 I 3.7585 8.9240 122.9469 64.5507 36.9246 178.7713 26 E 4.0052 8.1879 118.9406 59.5596 29.3864 178.9482 27 E 3.9300 8.1147 118.7780 58.8969 29.7050 178.2330 28 L 3.8507 8.2622 120.9413 58.3362 42.1155 179.1344 29 R 3.9900 8.4508 118.3046 59.4406 29.7506 178.7272 30 E 3.9856 8.0159 119.1739 59.0095 29.3807 179.0927 31 V 3.5665 7.4389 117.6449 65.9230 31.7793 177.6969 32 L 4.1428 7.9474 116.3273 54.5737 41.9400 176.8939 33 G 3.9134 7.4977 105.4414 46.5486 0.0000 173.4772 34 A 4.6648 8.3212 121.5782 51.2704 22.4540 177.4585 35 E 3.5308 8.7754 121.7789 57.5237 30.9104 176.8772 *42 N 4.5507 9.6734 123.2268 53.6947 39.1865 174.3926 43 N 4.9596 9.0886 117.7821 52.8690 38.4923 174.3416 44 Y 4.9700 6.9478 114.8036 56.9108 40.6782 174.0246 45 H 4.9474 8.7525 112.8008 54.9993 30.6918 172.7398 46 T 4.9665 7.4700 109.2862 59.2522 71.5411 173.8258 47 L 3.8317 8.6478 124.4390 58.2337 42.4520 178.2912 48 A 4.1176 8.6721 121.8856 55.3129 18.4961 180.6539 49 G 3.6419 7.7863 102.2999 46.4840 0.0000 175.1865 *51 C 4.3183 8.2726 118.5643 59.5591 30.2433 176.3263 52 I 3.7752 7.7672 120.1725 64.4662 36.3596 178.4054 53 S 4.0220 7.8311 112.7993 61.4202 62.2997 175.2354 54 Y 3.7250 7.3922 120.2014 60.8109 38.5462 177.8121 55 F 4.2578 7.9201 117.1217 57.9880 39.0655 176.3049 56 G 3.8364 8.5719 106.0267 45.7820 0.0000 173.0314 57 R 4.2739 7.3728 113.5493 55.2905 31.1552 173.6275 58 I 3.9545 8.2966 120.0860 60.0618 37.2260 174.7189 59 P 4.3431 0.0000 0.0000 62.0817 32.4232 175.8185 60 H 4.3183 9.2941 117.0394 55.0744 29.3050 175.5946 61 V 3.8314 8.1477 122.0296 64.9518 31.6445 176.2412 62 G 4.1413 9.1323 115.6850 44.6280 0.0000 173.8127 63 E 4.4280 7.8958 119.4599 56.8235 30.5783 175.6179 64 Y 5.7508 8.0988 119.3002 56.3312 41.4924 173.3388 65 F 4.9957 9.1201 114.4262 55.7515 42.0120 172.5457 66 D 5.4446 8.6738 119.0212 52.5271 42.6199 176.3165 67 W 5.0240 9.5319 132.7226 56.9615 33.7732 174.5266 68 A 3.4486 9.3565 129.1456 53.2300 15.7400 177.5084 69 G 3.9064 8.3498 105.1662 46.6055 0.0000 173.4125 70 W 5.1426 8.2685 118.8287 54.5330 33.5712 174.1596 71 R 4.9652 9.2432 123.6051 55.1391 31.5223 174.8633 72 I 4.8745 8.4899 127.7185 59.5175 39.0278 174.1430 73 E 5.2367 9.0304 128.2000 54.1946 32.9216 174.8376 74 I 4.3401 8.8729 128.0860 61.6447 37.6578 176.8045 75 V 4.4419 8.6331 118.7412 61.3243 34.4955 175.4761 76 D 4.6115 7.9383 120.3271 52.6644 44.5610 173.3937 77 L 4.9319 8.6820 127.9442 53.6263 44.4469 175.6464 78 D 4.7443 9.4147 128.4591 53.1727 41.7761 178.1664 79 G 3.7805 8.0890 117.3442 46.8548 0.0000 173.8831 80 A 4.2927 8.7586 127.8523 51.8755 19.4781 177.6293 81 R 4.0681 7.8882 118.2612 55.2653 30.3755 175.7952 82 I 4.2570 8.1956 126.7624 61.5104 36.0924 175.5528 83 D 4.5419 8.9404 125.2719 55.3266 42.2317 175.5600 *85 L 4.5415 7.7135 117.2583 55.2621 43.7793 175.0516 86 L 5.0823 8.9105 124.2674 53.4352 44.4065 174.8685 87 L 5.4058 9.3320 126.5403 53.2132 44.4703 175.4507 88 Q 4.8901 9.0200 122.4499 53.7389 32.6165 174.8129 89 R 3.1095 7.9101 124.0254 55.4638 30.6891 175.9653 90 L 3.8779 7.7829 126.8170 55.5811 42.3437 177.1120 91 N 4.4453 8.6038 119.7801 53.8471 38.5146 174.0797 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 7 A 8.26 4.29 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 8 L 8.30 4.15 0.00 1.76 1.64 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *10 V 8.20 4.08 2.12 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 0.80 0.00 0.00 0.98 0.00 0.00 11 T 8.30 5.05 4.37 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 1.35 0.00 0.00 12 R 9.00 4.33 0.00 1.96 1.87 0.00 3.18 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 13 E 8.83 3.88 0.00 1.92 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 2.29 2.32 0.00 14 D 7.98 4.53 0.00 2.77 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 15 G 8.16 3.89 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 0.00 0.00 0.00 16 S 8.02 4.27 0.00 4.11 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 17 F 9.08 5.69 0.00 2.97 2.78 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 0.00 0.00 0.00 18 L 8.91 5.17 0.00 1.56 1.63 0.95 0.97 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 19 I 8.58 4.84 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.90 0.00 0.00 20 D 9.35 4.60 0.00 2.73 2.51 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 0.00 0.00 0.00 0.00 21 G 9.03 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.25 4.16 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 1.23 0.00 0.00 23 L 7.97 3.95 0.00 1.75 1.54 0.87 0.73 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 24 P 0.00 4.83 0.00 2.21 2.00 0.00 3.64 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 2.12 2.19 0.00 25 I 8.92 3.76 1.97 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.25 1.08 0.00 0.00 26 E 8.19 4.01 0.00 2.03 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 0.00 2.43 2.41 0.00 27 E 8.11 3.93 0.00 1.99 1.91 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 2.36 2.28 0.00 28 L 8.26 3.85 0.00 1.79 1.86 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.45 3.99 0.00 2.12 2.15 0.00 3.28 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 30 E 8.02 3.99 0.00 1.98 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 0.00 2.44 2.30 0.00 31 V 7.44 3.57 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 0.43 0.00 0.00 0.86 0.00 0.00 32 L 7.95 4.14 0.00 1.40 1.06 0.56 -0.13 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 33 G 7.50 3.91 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 0.00 0.00 0.00 34 A 8.32 4.66 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 3.53 0.00 2.04 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 2.11 2.07 0.00 *42 N 9.67 4.55 0.00 1.94 2.35 0.00 0.00 6.64 8.00 0.00 0.00 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 N 9.09 4.96 0.00 2.83 2.88 0.00 0.00 5.72 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 44 Y 6.95 4.97 0.00 2.97 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 45 H 8.75 4.95 0.00 3.28 3.49 0.00 5.40 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.47 4.97 4.32 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 1.08 0.00 0.00 47 L 8.65 3.83 0.00 1.48 1.81 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.67 4.12 1.37 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 0.00 0.00 49 G 7.79 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 4.32 0.00 3.26 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 52 I 7.77 3.78 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 0.92 0.00 0.00 53 S 7.83 4.02 0.00 3.95 3.62 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 54 Y 7.39 3.73 0.00 2.02 1.87 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 55 F 7.92 4.26 0.00 3.22 3.04 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 0.00 0.00 0.00 56 G 8.57 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 0.00 0.00 0.00 57 R 7.37 4.27 0.00 1.86 1.88 0.00 3.03 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 58 I 8.30 3.95 1.82 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 1.45 0.52 0.86 0.00 0.00 59 P 0.00 4.34 0.00 1.59 0.60 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 60 H 9.29 4.32 0.00 3.13 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.15 3.83 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 62 G 9.13 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 0.00 0.00 0.00 63 E 7.90 4.43 0.00 1.86 1.76 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 2.26 2.29 0.00 64 Y 8.10 5.75 0.00 3.09 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 65 F 9.12 5.00 0.00 2.10 2.14 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 66 D 8.67 5.44 0.00 2.67 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 67 W 9.53 5.02 0.00 3.35 2.97 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 68 A 9.36 3.45 0.23 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 69 G 8.35 3.91 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 0.00 0.00 0.00 70 W 8.27 5.14 0.00 3.48 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 71 R 9.24 4.97 0.00 1.86 1.73 0.00 2.70 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 72 I 8.49 4.87 0.71 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 1.02 0.30 0.76 0.00 0.00 73 E 9.03 5.24 0.00 2.05 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 2.27 2.55 0.00 74 I 8.87 4.34 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.92 0.00 0.00 75 V 8.63 4.44 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 0.72 0.00 0.00 0.96 0.00 0.00 76 D 7.94 4.61 0.00 2.75 2.46 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 77 L 8.68 4.93 0.00 1.61 1.50 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 78 D 9.41 4.74 0.00 2.67 2.59 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 79 G 8.09 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.76 4.29 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 81 R 7.89 4.07 0.00 1.87 2.00 0.00 3.09 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 82 I 8.20 4.26 1.88 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 1.30 0.66 0.94 0.00 0.00 83 D 8.94 4.54 0.00 2.82 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 *85 L 7.71 4.54 0.00 1.65 1.63 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.91 5.08 0.00 1.74 1.54 1.01 0.64 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 87 L 9.33 5.41 0.00 1.79 1.82 0.93 0.64 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 88 Q 9.02 4.89 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 89 R 7.91 3.11 0.00 0.67 1.18 0.00 2.78 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.91 0.00 90 L 7.78 3.88 0.00 1.47 1.49 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.60 4.45 0.00 2.77 2.73 0.00 0.00 6.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.