NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4077 8.1927 115.2898 58.2432 63.0811 174.9247 11 E 3.5334 8.6869 115.4990 58.2907 29.4950 177.8182 12 A 3.9967 8.7188 122.0558 55.3342 18.9817 178.4599 13 C 4.0098 8.1770 115.0469 63.1149 28.2084 176.5067 14 R 3.9623 7.5605 117.1195 59.3504 28.8512 178.7045 15 D 4.3644 7.9544 119.8102 56.9741 40.8282 178.6217 16 G 3.7821 8.4192 106.6398 47.9076 0.0000 174.9959 17 L 3.9433 8.0389 121.9643 57.9877 42.1807 178.9683 18 R 4.0373 8.3308 116.4067 59.0921 30.2530 178.4021 19 A 4.1904 8.2379 120.9108 55.2831 18.2610 180.4900 20 V 3.6123 7.7470 116.5754 63.6817 32.5128 177.8213 *22 E 4.2488 8.1622 116.6796 56.2154 31.4865 177.7968 23 C 3.9266 8.1988 116.4179 63.0531 27.9500 176.1328 24 R 3.7776 8.2660 120.1650 59.6931 29.3881 178.0605 25 N 4.3309 8.1560 115.4837 56.4856 38.5843 177.4156 26 V 3.6681 8.7294 120.8284 66.2493 31.6362 178.2622 27 T 3.9012 8.1049 109.5809 64.8107 68.4434 176.0359 28 H 4.1659 7.7464 119.3177 58.8536 28.7442 177.0840 29 L 3.9359 7.5377 120.5116 58.2090 41.7981 178.6216 30 L 3.9314 7.9262 120.0401 58.4645 41.9900 178.8779 31 Q 3.9854 8.4589 119.7028 59.0506 28.9201 178.2497 32 Q 3.9659 8.1873 119.2944 59.0590 28.7995 178.4516 33 E 3.9808 8.5558 119.9988 59.3256 29.3782 179.2468 34 L 4.0297 8.6277 119.4108 58.3442 41.6148 179.7448 35 T 3.8669 7.9024 115.4983 66.4338 68.2554 176.3192 36 E 3.8473 8.1633 121.0046 59.2967 29.7878 178.3733 37 A 3.8592 8.3045 121.2781 55.4667 18.3122 179.4745 38 Q 4.0043 8.3156 117.8340 59.2672 29.1980 178.0117 39 K 3.9402 8.3724 121.1736 59.6429 32.0719 178.3354 40 G 3.6581 8.3047 106.0430 48.2911 0.0000 175.4771 41 F 4.3606 7.8944 120.5952 59.9427 38.9137 177.9600 42 Q 4.0289 8.3736 117.6080 59.2963 28.5613 178.3386 43 D 4.4214 8.7441 120.1397 57.4346 40.7349 179.4603 44 V 3.5427 8.2560 119.0362 65.9238 31.6015 177.3843 45 E 3.9095 8.8740 119.2774 59.4688 29.3868 178.2791 46 A 3.9922 7.9511 120.4450 55.7138 18.3897 179.5412 47 Q 3.9266 7.9650 115.2738 59.1767 28.7458 178.5957 48 A 3.9536 8.3932 121.6571 55.5331 18.3254 179.1864 49 A 3.9915 8.2584 118.1135 56.1386 18.4769 179.4883 50 T 3.7611 8.0571 113.7660 66.9269 68.4658 175.7820 51 C 3.8317 8.4329 119.9111 62.9105 31.4076 175.3764 52 N 4.1536 8.7035 117.9912 57.5640 38.6399 176.2551 53 H 4.3166 8.5126 116.0392 58.8012 28.9694 177.6590 54 T 4.0651 8.6022 118.2013 66.5248 68.0421 176.5300 55 V 3.6117 7.7410 116.8839 64.4184 32.2499 176.1639 *57 A 4.4274 7.8864 121.3150 52.2162 20.3562 179.8344 58 L 4.0779 7.8588 115.3282 55.0946 41.3992 179.3297 *60 A 4.2701 8.2115 122.8105 52.4537 20.5399 180.0843 61 S 4.1103 8.0518 111.9310 61.7009 62.7700 176.4186 62 L 4.0409 8.0758 122.9709 58.4216 41.8867 178.5815 63 D 4.4694 8.1717 117.8493 57.4394 40.7653 178.8547 64 A 3.9318 8.2697 121.2289 55.1091 18.5113 178.9208 65 E 3.8561 8.7986 118.2689 59.6729 29.5664 179.3826 66 K 3.9653 8.5974 118.2584 59.3743 32.0328 179.1682 67 A 3.9745 7.9993 120.9897 55.0942 18.3134 179.4636 68 Q 3.9462 8.6210 118.5436 59.7245 29.2198 177.9513 69 G 3.7931 8.5396 106.4779 48.3449 0.0000 174.6911 70 Q 3.9600 8.6950 121.8510 58.5793 29.1431 179.5420 71 K 3.9217 8.2634 120.3077 59.4263 32.3160 178.6955 72 K 3.9727 8.6103 120.2931 59.5423 31.9992 178.9412 73 V 3.5965 7.9831 118.6214 65.6818 31.4162 177.5195 74 E 3.8626 8.2423 119.1382 59.3579 29.3224 178.0720 75 E 3.8820 8.3305 118.3331 59.5837 29.8472 178.8601 76 L 4.1264 8.0371 118.3829 57.9680 41.9895 179.0791 77 E 4.0833 8.4660 118.7172 59.3290 29.3255 179.7769 78 G 3.6445 8.0254 105.7681 48.0006 0.0000 175.2713 79 E 3.9812 7.9828 121.6629 59.0800 29.4627 179.6927 80 I 3.6805 7.6788 119.2145 64.7319 37.3260 178.5561 81 T 3.8410 7.8358 110.2919 64.6752 68.4614 176.7934 82 T 3.8012 7.9083 118.7825 66.4921 68.5369 176.4695 83 L 3.9493 8.2179 121.0881 58.0316 41.7009 179.0733 84 N 4.3128 8.7179 116.6879 57.0315 38.5796 177.1837 85 H 4.3287 8.2922 117.1913 58.9044 28.8514 178.1067 86 K 4.0739 8.3530 120.3931 58.9484 31.8014 179.3313 87 L 3.9303 8.5037 121.2352 58.3474 42.0221 178.8951 88 Q 4.0654 8.0521 117.9826 59.0952 28.5409 178.8630 89 D 4.2925 8.0801 119.2070 57.2529 40.8313 178.3655 90 A 3.9676 8.0309 121.2146 55.5889 18.5020 179.6463 91 S 3.9913 8.6512 111.3169 61.3259 62.2372 176.4226 92 A 3.9668 8.1925 123.8866 55.0679 18.1516 179.0822 93 E 3.8610 8.3850 118.1088 59.3181 29.5879 179.1600 94 V 3.5502 8.0633 118.4230 66.1490 31.7101 177.6310 95 E 3.9230 7.9487 117.7232 59.5023 29.3406 179.4246 96 R 3.8523 8.3021 118.7121 59.5202 30.2316 178.5008 97 L 3.9942 8.2664 119.0430 57.8865 41.5787 179.6325 98 R 3.9454 8.6271 118.2599 59.6089 29.9620 179.0416 99 R 3.8885 7.8991 117.1369 58.9491 30.0411 178.2839 100 E 3.8705 8.2785 118.8533 59.6624 29.6274 178.5649 101 N 4.2138 8.5485 116.9807 56.8452 38.9422 176.1522 102 Q 3.8948 8.3434 121.0341 59.3389 29.0762 178.3764 103 V 3.5508 7.8614 119.0285 66.2747 31.4830 177.8629 104 L 4.0040 8.0851 118.6466 57.9168 41.6209 179.7664 105 S 4.1391 8.0725 114.1454 61.2801 62.6170 176.7410 106 V 3.5417 7.5632 120.9700 66.0155 31.4368 177.6857 107 R 4.0502 8.1174 116.6954 59.5330 29.9204 178.8912 108 I 3.8482 7.5709 118.3528 64.2366 37.2897 176.5133 109 A 4.2956 7.6730 124.1331 52.3700 18.4295 176.9577 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 10 S 8.19 4.41 0.00 3.87 3.72 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 11 E 8.69 3.53 0.00 2.20 1.92 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 2.37 2.50 0.00 12 A 8.72 4.00 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 13 C 8.18 4.01 0.00 3.20 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 14 R 7.56 3.96 0.00 1.95 2.19 0.00 2.77 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 15 D 7.95 4.36 0.00 2.85 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 16 G 8.42 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 17 L 8.04 3.94 0.00 1.93 1.77 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.33 4.04 0.00 1.77 1.98 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 19 A 8.24 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.75 3.61 2.22 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 1.11 0.00 0.00 0.93 0.00 0.00 *22 E 8.16 4.25 0.00 2.21 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 2.30 2.28 0.00 23 C 8.20 3.93 0.00 3.06 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 R 8.27 3.78 0.00 1.83 1.90 0.00 3.12 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 25 N 8.16 4.33 0.00 2.88 2.89 0.00 0.00 6.61 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 26 V 8.73 3.67 2.21 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 1.04 0.00 0.00 0.93 0.00 0.00 27 T 8.10 3.90 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 1.23 0.00 0.00 28 H 7.75 4.17 0.00 3.33 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.54 3.94 0.00 1.81 1.95 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.93 3.93 0.00 1.81 1.84 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.46 3.99 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 32 Q 8.19 3.97 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 33 E 8.56 3.98 0.00 2.08 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 2.45 2.50 0.00 34 L 8.63 4.03 0.00 1.81 1.76 0.94 0.95 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 35 T 7.90 3.87 4.43 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 1.22 0.00 0.00 36 E 8.16 3.85 0.00 2.15 1.94 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 2.29 2.34 0.00 37 A 8.30 3.86 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 4.00 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 39 K 8.37 3.94 0.00 1.85 2.05 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.57 7.81 40 G 8.30 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.89 4.36 0.00 3.28 3.06 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 0.00 0.00 0.00 0.00 42 Q 8.37 4.03 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 43 D 8.74 4.42 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 3.54 2.34 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 1.15 0.00 0.00 0.95 0.00 0.00 45 E 8.87 3.91 0.00 2.19 1.99 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 2.33 2.37 0.00 46 A 7.95 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.97 3.93 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 48 A 8.39 3.95 1.35 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 0.00 0.00 0.00 49 A 8.26 3.99 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 50 T 8.06 3.76 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 1.22 0.00 0.00 51 C 8.43 3.83 0.00 3.01 3.12 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 0.00 0.00 0.00 52 N 8.70 4.15 0.00 2.91 3.03 0.00 0.00 7.40 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 53 H 8.51 4.32 0.00 3.28 3.37 0.00 5.91 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.60 4.07 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 1.22 0.00 0.00 55 V 7.74 3.61 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 0.80 0.00 0.00 0.97 0.00 0.00 *57 A 7.89 4.43 1.41 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 0.00 0.00 0.00 58 L 7.86 4.08 0.00 1.86 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *60 A 8.21 4.27 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.11 0.00 4.00 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 62 L 8.08 4.04 0.00 1.96 1.64 0.92 1.14 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 63 D 8.17 4.47 0.00 2.80 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 64 A 8.27 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.80 3.86 0.00 2.17 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 0.00 2.31 2.42 0.00 66 K 8.60 3.97 0.00 1.92 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.56 7.81 67 A 8.00 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.62 3.95 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 69 G 8.54 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 0.00 0.00 0.00 70 Q 8.70 3.96 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 71 K 8.26 3.92 0.00 1.91 1.96 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 72 K 8.61 3.97 0.00 1.85 1.93 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 73 V 7.98 3.60 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 1.01 0.00 0.00 0.93 0.00 0.00 74 E 8.24 3.86 0.00 2.31 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 2.30 2.32 0.00 75 E 8.33 3.88 0.00 2.20 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 2.33 2.39 0.00 76 L 8.04 4.13 0.00 1.74 1.68 0.92 0.79 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 77 E 8.47 4.08 0.00 2.15 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 2.34 0.00 78 G 8.03 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 79 E 7.98 3.98 0.00 2.27 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 2.33 2.36 0.00 80 I 7.68 3.68 2.00 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 1.68 0.78 0.89 0.00 0.00 81 T 7.84 3.84 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 1.17 0.00 0.00 82 T 7.91 3.80 4.42 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 1.21 0.00 0.00 83 L 8.22 3.95 0.00 1.93 1.70 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.72 4.31 0.00 2.85 2.89 0.00 0.00 7.12 8.73 0.00 0.00 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 H 8.29 4.33 0.00 3.36 3.32 0.00 5.64 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 86 K 8.35 4.07 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.62 7.81 87 L 8.50 3.93 0.00 1.79 1.87 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.05 4.07 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 89 D 8.08 4.29 0.00 2.88 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 90 A 8.03 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.65 3.99 0.00 3.88 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 92 A 8.19 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.39 3.86 0.00 2.08 2.16 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 2.31 2.37 0.00 94 V 8.06 3.55 2.22 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 0.98 0.00 0.00 0.93 0.00 0.00 95 E 7.95 3.92 0.00 2.22 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 2.44 2.48 0.00 96 R 8.30 3.85 0.00 1.85 2.09 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 97 L 8.27 3.99 0.00 1.90 1.70 0.92 0.82 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 98 R 8.63 3.95 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 99 R 7.90 3.89 0.00 2.06 1.95 0.00 3.16 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 100 E 8.28 3.87 0.00 2.04 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 0.00 2.32 2.36 0.00 101 N 8.55 4.21 0.00 3.03 2.87 0.00 0.00 6.92 6.78 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 0.00 102 Q 8.34 3.89 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 103 V 7.86 3.55 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 1.01 0.00 0.00 0.93 0.00 0.00 104 L 8.09 4.00 0.00 1.86 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.07 4.14 0.00 4.07 4.12 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 0.00 0.00 0.00 106 V 7.56 3.54 2.22 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 0.85 0.00 0.00 0.97 0.00 0.00 107 R 8.12 4.05 0.00 2.04 2.00 0.00 3.22 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 108 I 7.57 3.85 2.03 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 1.45 0.66 0.91 0.00 0.00 109 A 7.67 4.30 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.