NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3150 8.2644 123.5855 51.8514 19.3645 176.1437 10 D 4.1834 7.8613 120.9658 54.5058 42.4750 174.6928 11 C 4.1474 8.9032 120.7371 58.2416 40.3645 174.9490 12 E 3.9393 8.2313 122.3392 59.2877 29.2490 178.3989 13 V 3.6855 7.7422 117.8440 66.1383 31.6765 178.1654 14 C 4.2376 8.1892 117.6682 59.6776 44.2262 175.2634 15 K 3.9585 8.5548 121.4421 59.7333 31.7303 178.6413 16 E 4.0696 8.4644 118.8678 59.2454 29.3375 179.1311 17 F 4.2691 8.4863 120.8246 61.4448 39.4955 177.2608 18 L 3.9461 8.3182 118.6691 57.8400 41.2934 179.2815 19 N 4.5581 8.5524 116.7291 56.2284 38.4789 177.3637 20 R 3.8846 8.3185 120.4261 59.3148 30.1916 178.3778 21 F 3.0331 7.8672 120.3337 61.0792 39.3903 176.4197 22 Y 4.2587 8.0589 116.7709 61.2646 37.7430 178.8372 23 K 3.9677 8.3385 120.6437 59.4818 32.2448 178.8814 24 S 4.1331 8.0254 114.5494 61.3876 62.8511 176.5571 25 L 3.7481 7.5396 122.5335 57.3573 41.3702 179.5366 26 I 3.7673 7.8942 119.6981 64.6974 36.8978 178.3590 27 D 4.4398 8.3935 118.4897 56.8139 40.6572 178.0606 28 R 4.4478 7.8288 116.2159 54.8665 30.3704 176.3878 29 G 3.9945 7.8324 106.4177 46.3364 0.0000 174.3338 30 V 3.8397 7.6109 118.6680 61.7342 32.2063 175.6176 31 N 4.5917 8.5689 123.9843 53.7222 39.5352 175.9548 32 F 4.4118 8.7939 122.9836 56.4516 38.2604 176.1291 33 S 4.7698 7.3591 117.2502 56.8118 66.5404 174.7032 34 L 3.9648 8.4308 123.3645 58.5469 41.4898 179.6461 35 D 4.3680 8.0836 117.8386 57.6674 40.7326 179.0277 36 T 3.8673 7.5046 115.7550 66.6677 68.4238 176.7088 37 I 3.6856 8.0661 122.1181 64.3575 37.1684 177.8580 38 E 3.8851 8.4097 120.2280 59.3817 29.3913 178.8314 39 K 3.9675 8.1426 119.3877 59.6306 32.2568 178.5956 40 E 4.0748 8.6809 119.3347 59.2378 29.3258 179.1758 41 L 3.3881 8.3788 120.8271 57.9515 41.9062 178.8677 42 I 3.6845 7.5505 118.5997 64.5375 37.3421 178.0098 43 S 4.2696 8.4610 114.1094 61.4648 62.0590 175.9717 44 F 4.2070 8.6329 122.5228 61.3741 39.2966 175.8206 45 C 4.6430 8.6290 114.9223 58.0022 39.9286 175.5025 46 L 3.9252 7.5180 121.0351 58.1624 41.2708 178.0134 47 D 4.7543 7.8940 114.7193 54.3325 40.9277 176.8049 48 T 4.1904 7.5547 110.8826 61.4054 69.7715 173.7434 49 K 4.7260 8.0113 121.3414 54.9159 37.3569 178.7798 50 G 3.7890 8.2426 109.4765 46.5888 0.0000 176.7157 51 K 3.8805 8.6135 121.7180 59.2208 31.6205 178.3886 52 E 3.6026 7.9851 118.4522 59.0454 29.4002 178.7211 53 N 4.3845 7.8892 118.2533 55.9122 39.0194 176.9341 54 R 3.6556 7.9211 120.2022 59.1788 30.1609 178.1629 55 L 4.0631 7.9464 120.2358 58.4850 41.9651 178.2878 56 C 4.2213 8.1514 116.5213 60.0761 41.2925 175.5106 57 Y 3.9904 7.8330 122.3149 60.4377 38.2153 177.8256 58 Y 4.1902 7.6808 115.7226 60.2601 37.9459 177.5408 59 L 4.3601 7.9431 118.9401 54.5291 41.7773 178.0356 60 G 3.7470 7.8589 107.1102 45.6003 0.0000 173.7526 61 A 4.6284 8.1007 120.2049 51.4864 18.9189 176.8100 62 T 4.7276 7.4259 107.9340 60.2430 71.6969 175.1706 63 K 3.9229 8.7234 121.5815 59.4958 32.0636 177.7443 64 D 4.6690 8.1091 115.1394 53.0672 39.5188 175.6345 65 A 4.5323 7.6740 122.7956 50.8472 21.2131 177.4277 66 A 4.3422 7.9399 121.4297 51.4437 19.6101 178.6617 67 T 3.8506 8.5422 116.1617 64.7163 68.5756 176.3290 68 K 3.8829 8.0122 122.4410 59.7095 32.3065 178.6067 69 I 3.6995 7.6283 119.5135 64.1172 36.9708 177.8932 70 L 4.1868 7.6528 122.4812 57.7736 41.8686 179.3213 71 S 4.1183 8.1993 115.0472 61.5773 62.5415 176.4135 72 E 4.0685 7.7307 120.2728 58.4654 29.3693 179.0236 73 V 3.8929 7.5632 118.8067 65.7252 31.9075 178.0546 74 T 4.0726 8.1575 109.6631 64.4082 67.2013 177.0220 75 R 3.9153 8.1129 121.0473 58.8900 30.1576 177.2755 76 P 4.6158 0.0000 0.0000 65.7579 31.2506 178.5916 77 M 4.8281 8.2915 118.9990 57.8070 31.6453 178.6915 78 S 4.4176 8.0899 113.4996 60.3580 63.0835 175.3763 79 V 4.2455 6.8801 113.8255 60.8371 31.7417 175.0147 80 H 3.8961 8.1769 115.1721 56.4759 26.4910 175.0009 81 M 4.1105 8.1170 118.2854 55.0649 32.8772 174.1104 82 P 4.4031 0.0000 0.0000 62.8665 32.3962 177.0005 83 A 4.1048 9.1090 123.9919 55.7710 18.1667 179.7234 84 M 4.0036 8.1324 116.0043 58.8616 32.3221 178.5064 85 K 4.0489 8.0487 118.1554 59.2723 32.1902 179.4551 86 I 3.7217 7.7502 119.6648 64.6353 37.1300 178.8853 87 C 4.2727 8.3372 117.3184 60.2255 39.8280 176.1166 88 E 3.8508 8.3423 119.2902 59.1211 29.0605 178.9944 89 K 4.0580 8.1142 119.7016 59.6754 32.3414 178.9126 90 L 4.0055 7.9160 118.9467 57.1945 41.2852 179.1364 91 K 3.8375 7.9539 119.2743 59.4523 32.0755 178.6329 92 K 4.1238 7.5846 117.7072 59.6083 31.9384 178.0695 93 L 4.3581 7.8695 119.9432 54.1868 41.6159 175.8869 94 D 4.7440 7.2874 120.6982 51.9634 43.4850 177.1555 95 S 4.2129 8.5089 122.7352 60.8642 63.0378 175.7450 96 Q 3.9112 8.1074 123.6784 58.9119 28.3839 177.8287 97 I 3.3641 6.6031 119.1525 63.7188 38.1251 176.1579 98 C 4.5969 8.0793 114.9250 57.2265 40.2865 174.4473 99 E 4.2217 7.6329 119.5818 55.3312 30.1770 176.2867 100 L 4.1039 7.4271 119.2772 54.9156 42.3147 176.5944 101 K 4.6539 8.0755 120.4304 54.5407 35.9803 176.0930 102 Y 4.2543 8.5227 119.8234 57.3230 38.5495 175.4810 103 E 3.9230 8.9080 122.3988 56.8572 30.0061 177.2866 104 K 3.8884 8.9116 127.0134 58.2395 32.5129 176.2796 105 T 3.1104 7.8844 108.6386 63.5324 64.7664 172.1536 *106 L 4.1530 8.0777 125.8183 54.1301 41.6354 175.3719 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 9 A 8.26 4.31 1.31 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 0.00 0.00 10 D 7.86 4.18 0.00 2.71 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 11 C 8.90 4.15 0.00 3.18 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.23 3.94 0.00 2.23 1.98 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 2.44 2.51 0.00 13 V 7.74 3.69 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 0.72 0.00 0.00 0.84 0.00 0.00 14 C 8.19 4.24 0.00 3.03 3.26 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 15 K 8.55 3.96 0.00 1.94 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.55 7.81 16 E 8.46 4.07 0.00 2.22 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 2.62 2.61 0.00 17 F 8.49 4.27 0.00 3.36 3.27 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 18 L 8.32 3.95 0.00 1.75 1.51 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.55 4.56 0.00 3.08 2.96 0.00 0.00 6.63 7.89 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 20 R 8.32 3.88 0.00 2.05 2.13 0.00 3.21 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 21 F 7.87 3.03 0.00 1.97 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 22 Y 8.06 4.26 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 23 K 8.34 3.97 0.00 1.97 1.97 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.64 7.81 24 S 8.03 4.13 0.00 4.10 4.09 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 0.00 0.00 0.00 0.00 25 L 7.54 3.75 0.00 1.68 1.41 -0.03 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.89 3.77 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.30 0.89 0.00 0.00 27 D 8.39 4.44 0.00 2.63 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 28 R 7.83 4.45 0.00 1.88 1.94 0.00 3.33 0.00 0.00 3.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 29 G 7.83 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 0.00 0.00 0.00 30 V 7.61 3.84 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 0.68 0.00 0.00 0.88 0.00 0.00 31 N 8.57 4.59 0.00 2.78 2.79 0.00 0.00 6.98 7.45 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 32 F 8.79 4.41 0.00 2.93 3.03 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 33 S 7.36 4.77 0.00 4.06 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 34 L 8.43 3.96 0.00 1.72 1.79 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.08 4.37 0.00 2.69 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 36 T 7.50 3.87 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 1.20 0.00 0.00 37 I 8.07 3.69 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.87 1.01 0.00 0.00 38 E 8.41 3.89 0.00 2.08 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 2.31 2.32 0.00 39 K 8.14 3.97 0.00 1.89 1.81 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 40 E 8.68 4.07 0.00 2.34 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 0.00 2.49 2.42 0.00 41 L 8.38 3.39 0.00 1.27 1.51 0.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.55 3.68 2.00 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 1.40 0.75 0.92 0.00 0.00 43 S 8.46 4.27 0.00 3.99 4.11 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 44 F 8.63 4.21 0.00 3.29 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 45 C 8.63 4.64 0.00 3.31 3.14 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 46 L 7.52 3.93 0.00 1.80 1.75 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.89 4.75 0.00 2.62 2.66 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 48 T 7.55 4.19 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 1.28 0.00 0.00 49 K 8.01 4.73 0.00 1.79 1.69 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.39 7.81 50 G 8.24 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 51 K 8.61 3.88 0.00 1.37 1.52 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.34 7.81 52 E 7.99 3.60 0.00 2.11 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 53 N 7.89 4.38 0.00 2.91 2.88 0.00 0.00 6.65 8.10 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 54 R 7.92 3.66 0.00 1.80 1.94 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.33 0.00 55 L 7.95 4.06 0.00 1.63 1.47 0.93 0.77 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 56 C 8.15 4.22 0.00 3.08 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 57 Y 7.83 3.99 0.00 2.94 2.86 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 0.00 0.00 0.00 0.00 58 Y 7.68 4.19 0.00 3.15 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.94 4.36 0.00 1.81 1.64 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.86 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 61 A 8.10 4.63 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 62 T 7.43 4.73 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 1.22 0.00 0.00 63 K 8.72 3.92 0.00 1.77 1.93 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.44 7.81 64 D 8.11 4.67 0.00 2.80 2.76 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 65 A 7.67 4.53 1.23 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 66 A 7.94 4.34 1.23 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 67 T 8.54 3.85 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 68 K 8.01 3.88 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.53 7.81 69 I 7.63 3.70 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.93 0.00 0.00 70 L 7.65 4.19 0.00 1.91 1.80 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.20 4.12 0.00 4.09 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 72 E 7.73 4.07 0.00 2.02 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 2.59 2.44 0.00 73 V 7.56 3.89 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 1.00 0.00 0.00 0.98 0.00 0.00 74 T 8.16 4.07 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 75 R 8.11 3.92 0.00 1.98 2.04 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 76 P 0.00 4.62 0.00 2.22 2.15 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 77 M 8.29 4.83 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.46 0.00 78 S 8.09 4.42 0.00 4.12 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 79 V 6.88 4.25 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 0.74 0.00 0.00 1.05 0.00 0.00 80 H 8.18 3.90 0.00 3.14 3.05 0.00 5.67 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 M 8.12 4.11 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 82 P 0.00 4.40 0.00 2.27 2.02 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 83 A 9.11 4.10 1.42 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 0.00 0.00 84 M 8.13 4.00 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.72 0.00 85 K 8.05 4.05 0.00 2.09 1.87 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.51 7.81 86 I 7.75 3.72 2.02 0.00 0.00 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 1.70 0.90 0.92 0.00 0.00 87 C 8.34 4.27 0.00 3.13 3.14 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 88 E 8.34 3.85 0.00 1.92 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 2.55 2.47 0.00 89 K 8.11 4.06 0.00 1.95 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 90 L 7.92 4.01 0.00 1.82 1.64 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.95 3.84 0.00 1.84 1.97 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 92 K 7.58 4.12 0.00 1.82 1.84 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.61 7.81 93 L 7.87 4.36 0.00 1.71 1.57 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.29 4.74 0.00 2.62 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 0.00 0.00 0.00 0.00 95 S 8.51 4.21 0.00 4.03 4.06 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 96 Q 8.11 3.91 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 97 I 6.60 3.36 1.32 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 0.91 0.78 0.00 0.00 98 C 8.08 4.60 0.00 2.96 3.23 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 99 E 7.63 4.22 0.00 2.20 1.96 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 2.42 2.43 0.00 100 L 7.43 4.10 0.00 1.54 1.47 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.08 4.65 0.00 1.69 1.69 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.59 7.81 102 Y 8.52 4.25 0.00 2.95 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 0.00 103 E 8.91 3.92 0.00 1.97 1.96 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 2.43 2.35 0.00 104 K 8.91 3.89 0.00 1.78 1.84 0.00 1.98 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81 105 T 7.88 3.11 4.46 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 1.28 0.00 0.00 *106 L 8.08 4.15 0.00 1.45 1.47 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.