NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.2054 8.3331 119.6860 55.1087 30.8425 174.6146 0 G 3.6699 7.9001 106.7731 42.6029 0.0000 170.1745 2 N 4.7875 8.8288 124.4666 50.8235 42.7382 172.1786 3 N 4.0571 8.6765 126.4618 56.1443 38.6910 177.2697 4 K 3.8625 8.2922 121.0669 59.5743 32.2669 178.2095 5 H 3.9740 8.5022 117.7946 59.3915 29.8353 176.8014 6 A 3.9476 8.5696 122.9462 55.3592 18.0797 179.6290 7 T 3.7620 8.1835 114.5765 67.0725 68.5739 177.0308 8 S 3.8288 7.7692 116.6269 61.2789 62.6279 176.6811 9 A 3.7340 7.5662 123.6654 55.0389 18.1230 179.9135 10 V 3.6499 7.8847 116.7939 66.3731 31.6057 177.9778 11 H 4.1694 8.5642 116.3816 58.7752 28.4714 177.3669 12 E 4.0445 8.3327 121.1872 59.2307 29.4096 178.8698 13 I 3.7672 8.0503 119.9369 64.5180 37.1582 178.2920 14 I 3.7114 7.8334 120.4834 64.4267 36.9875 178.2377 15 R 3.8959 8.0870 119.3098 59.8380 29.9088 178.4659 16 E 4.0556 8.4273 118.1096 59.2225 29.3270 179.4566 17 I 3.7043 8.1072 120.3752 64.3963 37.1048 177.9960 18 C 4.0534 8.3438 117.8941 63.0194 27.8990 176.3825 19 R 3.9122 8.0169 119.3470 59.2906 29.6614 179.0162 20 L 3.8729 7.9288 118.6329 57.8767 41.5141 179.8370 21 V 3.5775 8.0968 118.4612 65.9942 31.2302 177.4907 22 D 4.3365 8.2445 117.2763 56.9354 41.0341 177.4518 23 S 4.5887 7.5336 113.0280 57.8852 63.0471 174.8496 24 G 3.8662 8.0540 110.1520 45.9183 0.0000 173.9078 25 H 4.6619 7.6839 116.1196 55.6314 29.7610 175.4206 26 S 4.4272 8.0462 115.0492 56.7768 64.4802 173.6158 *28 T 4.2214 8.2941 108.0113 61.5783 70.8820 174.6423 29 R 4.0458 8.4647 119.5367 59.7628 29.3713 178.8351 30 D 4.3671 8.0814 119.0117 57.2824 40.8497 178.3724 31 Q 3.9011 8.0787 119.9621 58.9224 29.0451 177.9003 32 F 3.9757 8.3242 121.7532 61.6968 39.4601 176.9308 33 H 3.9335 8.5388 116.0995 58.4152 28.4275 177.5378 34 E 3.8381 8.0928 121.2379 59.2837 29.5042 178.7544 35 L 3.9056 7.8490 119.1614 57.9462 41.5905 179.8650 36 S 3.9554 7.5908 114.8837 61.5171 62.4933 176.3227 37 E 3.9303 7.8886 120.7293 59.0434 29.3863 177.8997 38 Q 4.2884 7.8571 115.2828 54.6224 29.5810 175.4063 39 E 4.1111 8.3299 119.2585 57.1872 27.7210 175.5459 40 R 4.8560 8.4126 109.5189 55.2585 31.0746 177.3184 41 F 4.1883 8.5888 122.6095 62.2796 39.2602 176.6661 42 I 3.2759 8.2098 119.1855 64.1534 36.9228 178.0555 43 A 3.9515 8.2690 121.6431 55.2164 18.1597 179.3757 44 F 3.8948 8.2615 118.8442 61.4254 39.4164 177.3268 45 L 4.0459 7.8184 118.2598 57.8657 41.2074 179.2809 46 A 3.9127 7.9257 119.6851 54.9258 18.3768 179.0366 47 E 3.9074 7.9089 117.5159 58.9032 29.7119 178.5333 48 K 3.3573 7.5857 118.8482 59.0198 32.2797 177.1123 49 Y 4.6771 7.6626 115.3499 57.5654 38.0719 177.8676 50 S 4.2377 7.5675 117.7774 61.1053 62.9715 175.8401 51 S 4.3105 8.0082 114.8287 60.2732 63.1437 174.8635 52 T 4.4776 7.6407 108.0395 61.6213 70.5040 174.3191 53 I 3.8226 8.1145 122.6385 60.6631 38.3890 175.1741 54 K 4.2385 9.0756 127.4323 54.8323 32.4956 176.1202 55 L 4.9220 7.6865 124.8691 52.6877 42.1565 177.0047 56 Y 4.0524 8.6250 121.2612 60.3879 38.6982 177.0043 57 Y 4.4015 9.2531 117.5151 59.3319 38.7144 176.9058 58 L 4.8177 8.2039 115.7778 54.3667 42.8453 175.9586 59 A 4.2644 7.8500 124.0490 51.1724 18.7719 178.3263 60 D 3.3700 8.4005 123.2439 54.7271 39.4632 177.0796 61 S 4.4435 7.6112 113.1999 58.1148 63.9884 173.8249 62 S 4.5012 8.2032 118.2019 56.8539 62.8651 173.1359 63 P 4.4207 0.0000 0.0000 65.1031 31.2136 176.9823 64 L 4.3203 7.7519 117.7320 55.1247 42.0110 176.8481 65 F 4.8562 7.9883 121.7816 57.7201 40.0191 174.6709 66 E 4.3759 7.7674 126.2434 53.4028 33.1032 176.7651 67 K 3.7559 8.3979 124.2971 60.0017 32.6594 178.7624 68 D 4.3680 7.9785 119.4740 57.5719 40.7249 178.8843 69 T 3.9370 7.6634 115.4508 66.7928 68.5215 176.9475 70 S 4.2312 7.9931 117.0293 61.7664 62.8704 176.9865 71 S 4.2031 8.6168 118.3368 61.4163 62.4760 176.4282 72 F 4.1289 8.4161 123.3474 61.3846 39.1219 177.2272 73 I 3.7383 8.2584 119.4054 64.5586 37.0705 178.1781 74 E 4.1461 8.6380 119.7503 59.6899 29.2418 179.1057 75 N 4.4744 8.4253 116.7625 56.4901 38.9312 176.8159 76 A 3.7488 7.9539 122.5749 54.9834 18.3383 179.5346 77 F 4.0062 8.5059 116.5213 60.5650 38.8805 177.9718 78 G 3.6738 8.0174 104.7579 47.9658 0.0000 175.8672 79 R 3.9148 7.8914 119.5787 59.3156 30.3842 178.7065 80 H 4.3336 8.3610 115.8105 58.7256 28.5491 177.5945 81 A 4.2832 8.3317 121.3001 54.2352 18.2951 178.5081 82 N 4.5152 7.7873 115.0848 55.4316 39.1547 175.2389 83 T 4.5566 8.0485 107.3859 61.0554 70.5588 174.0392 84 V 4.8799 7.7738 114.0007 59.7644 36.2569 177.1026 85 V 4.5867 8.7908 114.0754 62.1736 31.5642 178.9302 *87 E 4.2805 9.2848 134.2569 57.0452 31.4379 177.2131 88 D 4.2619 8.1546 117.8753 56.1482 40.8702 177.0409 89 F 4.7300 7.8991 115.9723 56.7432 39.6185 175.1950 90 G 3.8815 7.9311 107.4900 46.6471 0.0000 174.1640 91 L 4.7699 7.8687 118.1692 52.8210 44.2777 176.3043 92 K 4.4332 8.5047 115.9030 57.9756 34.9639 177.2256 93 S 4.4203 8.0509 110.6406 59.7212 64.7435 174.3425 94 N 4.5839 7.7728 125.2518 52.1510 38.2235 175.3556 95 A 3.9486 8.3876 128.6813 54.2125 18.4905 178.5499 96 L 3.9769 8.1400 118.0722 57.8892 41.5573 179.4270 97 L 4.0450 7.9502 118.7364 57.1044 41.5341 179.0703 98 L 3.6726 7.4765 119.9800 57.7959 41.9307 178.5597 99 A 3.9187 7.3644 120.7498 55.1397 18.1291 179.6916 100 I 3.6524 7.4075 117.8174 64.5646 37.1742 178.3573 101 N 3.9932 7.5880 116.9319 56.2709 38.1167 177.5504 102 I 3.4871 7.5416 121.1788 64.3172 37.0495 178.0100 103 C 3.8295 8.2050 117.9794 63.0590 27.9677 176.3689 104 L 3.9255 7.5645 119.9013 57.6076 41.2684 179.3873 105 A 3.9927 7.6321 120.3879 55.1142 18.1432 179.8161 106 I 3.7023 7.6884 118.5776 64.3237 37.1278 178.5054 107 L 3.9982 8.0945 120.0304 57.8957 41.2318 179.6868 108 R 3.9383 7.7168 116.7760 59.3859 30.1004 178.5796 109 E 4.1886 7.7777 116.5096 59.6473 29.5875 179.2653 110 I 3.7895 7.9430 118.8054 64.0046 37.2390 176.4951 111 N 4.6430 8.1822 120.8059 53.3987 38.7041 174.8798 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 Q 8.33 4.21 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 0 G 7.90 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.83 4.79 0.00 2.67 2.64 0.00 0.00 7.10 6.71 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 3 N 8.68 4.06 0.00 2.78 2.78 0.00 0.00 6.72 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 4 K 8.29 3.86 0.00 1.81 2.01 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.42 7.81 5 H 8.50 3.97 0.00 3.25 3.46 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.57 3.95 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 7 T 8.18 3.76 4.31 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 1.08 0.00 0.00 8 S 7.77 3.83 0.00 3.24 3.30 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 9 A 7.57 3.73 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 V 7.88 3.65 2.24 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 1.10 0.00 0.00 1.09 0.00 0.00 11 H 8.56 4.17 0.00 3.30 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.33 4.04 0.00 2.24 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 0.00 2.44 2.50 0.00 13 I 8.05 3.77 2.18 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 1.15 0.00 0.00 14 I 7.83 3.71 2.00 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 1.43 0.90 0.90 0.00 0.00 15 R 8.09 3.90 0.00 1.93 2.16 0.00 3.16 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 16 E 8.43 4.06 0.00 2.04 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 2.53 2.61 0.00 17 I 8.11 3.70 1.92 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 1.00 0.00 0.00 18 C 8.34 4.05 0.00 3.14 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 19 R 8.02 3.91 0.00 2.01 1.96 0.00 3.15 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 20 L 7.93 3.87 0.00 1.70 1.43 0.56 -0.20 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 21 V 8.10 3.58 2.19 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 1.07 0.00 0.00 0.93 0.00 0.00 22 D 8.24 4.34 0.00 2.78 2.80 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 23 S 7.53 4.59 0.00 3.94 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 24 G 8.05 3.87 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 0.00 0.00 0.00 25 H 7.68 4.66 0.00 3.18 3.26 0.00 5.64 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 26 S 8.05 4.43 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 *28 T 8.29 4.22 4.28 0.00 0.00 0.00 0.00 0.00 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 29 R 8.46 4.05 0.00 2.20 2.30 0.00 3.01 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 30 D 8.08 4.37 0.00 2.81 2.77 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 0.00 0.00 0.00 31 Q 8.08 3.90 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 32 F 8.32 3.98 0.00 3.12 3.09 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 33 H 8.54 3.93 0.00 3.27 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.09 3.84 0.00 2.05 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 0.00 2.23 2.30 0.00 35 L 7.85 3.91 0.00 1.58 1.68 0.17 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.59 3.96 0.00 3.42 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 37 E 7.89 3.93 0.00 1.96 2.18 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 2.30 2.33 0.00 38 Q 7.86 4.29 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 39 E 8.33 4.11 0.00 2.08 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 2.26 2.23 0.00 40 R 8.41 4.86 0.00 1.95 2.08 0.00 2.83 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 41 F 8.59 4.19 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 3.28 2.14 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.92 0.00 0.00 43 A 8.27 3.95 1.34 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 44 F 8.26 3.89 0.00 3.16 3.17 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 45 L 7.82 4.05 0.00 1.74 1.68 0.54 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.93 3.91 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 47 E 7.91 3.91 0.00 2.01 1.84 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 2.11 2.12 0.00 48 K 7.59 3.36 0.00 0.79 0.91 0.00 1.44 0.00 0.00 1.36 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.71 7.81 49 Y 7.66 4.68 0.00 3.11 2.82 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 50 S 7.57 4.24 0.00 3.86 4.16 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 51 S 8.01 4.31 0.00 3.99 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 52 T 7.64 4.48 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 1.24 0.00 0.00 53 I 8.11 3.82 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 1.27 0.93 0.92 0.00 0.00 54 K 9.08 4.24 0.00 1.90 1.52 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.33 7.81 55 L 7.69 4.92 0.00 1.62 1.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.62 4.05 0.00 2.98 2.80 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 57 Y 9.25 4.40 0.00 3.27 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 58 L 8.20 4.82 0.00 1.75 1.85 1.08 0.93 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 59 A 7.85 4.26 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 60 D 8.40 3.37 0.00 2.04 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 0.00 0.00 0.00 61 S 7.61 4.44 0.00 3.93 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 62 S 8.20 4.50 0.00 3.84 4.02 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 0.00 0.00 0.00 63 P 0.00 4.42 0.00 2.24 2.19 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 64 L 7.75 4.32 0.00 1.76 1.64 0.37 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.99 4.86 0.00 3.25 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 66 E 7.77 4.38 0.00 1.71 1.57 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 2.17 2.36 0.00 67 K 8.40 3.76 0.00 2.03 2.20 0.00 1.57 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.54 7.81 68 D 7.98 4.37 0.00 2.64 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 3.94 4.38 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 1.30 0.00 0.00 70 S 7.99 4.23 0.00 3.91 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 71 S 8.62 4.20 0.00 3.95 3.98 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 72 F 8.42 4.13 0.00 3.22 3.29 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 0.00 0.00 0.00 0.00 73 I 8.26 3.74 2.20 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.90 1.27 0.00 0.00 74 E 8.64 4.15 0.00 2.03 2.25 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 2.63 2.57 0.00 75 N 8.43 4.47 0.00 2.83 2.93 0.00 0.00 7.13 7.62 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 76 A 7.95 3.75 0.93 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 0.00 0.00 77 F 8.51 4.01 0.00 3.27 3.02 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 0.00 0.00 0.00 78 G 8.02 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.89 3.91 0.00 1.79 1.87 0.00 3.08 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 1.61 1.80 0.00 80 H 8.36 4.33 0.00 3.11 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.33 4.28 1.33 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 0.00 0.00 82 N 7.79 4.52 0.00 2.77 3.07 0.00 0.00 6.93 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 83 T 8.05 4.56 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 1.21 0.00 0.00 84 V 7.77 4.88 2.31 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 0.90 0.00 0.00 1.27 0.00 0.00 85 V 8.79 4.59 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 0.77 0.00 0.00 0.96 0.00 0.00 *87 E 9.28 4.28 0.00 2.09 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 2.30 2.41 0.00 88 D 8.15 4.26 0.00 2.51 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 0.00 0.00 0.00 89 F 7.90 4.73 0.00 2.99 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 90 G 7.93 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 0.00 0.00 0.00 91 L 7.87 4.77 0.00 1.66 1.61 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.50 4.43 0.00 1.69 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.38 7.81 93 S 8.05 4.42 0.00 3.84 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 94 N 7.77 4.58 0.00 2.72 2.71 0.00 0.00 6.92 7.95 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 95 A 8.39 3.95 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 96 L 8.14 3.98 0.00 1.84 1.78 0.94 0.83 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 97 L 7.95 4.05 0.00 1.74 1.64 0.90 0.24 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 98 L 7.48 3.67 0.00 1.53 1.33 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.36 3.92 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 0.00 100 I 7.41 3.65 1.94 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 1.53 1.55 0.85 0.00 0.00 101 N 7.59 3.99 0.00 1.91 1.42 0.00 0.00 7.06 8.20 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 0.00 102 I 7.54 3.49 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.52 0.48 0.00 0.00 103 C 8.20 3.83 0.00 3.14 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 0.00 104 L 7.56 3.93 0.00 1.67 1.67 0.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.63 3.99 1.17 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 0.00 106 I 7.69 3.70 1.91 0.00 0.00 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 1.29 0.47 1.03 0.00 0.00 107 L 8.09 4.00 0.00 1.86 1.73 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.72 3.94 0.00 2.02 2.02 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 109 E 7.78 4.19 0.00 2.35 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 0.00 2.43 2.64 0.00 110 I 7.94 3.79 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.81 0.00 0.00 111 N 8.18 4.64 0.00 2.72 2.71 0.00 0.00 6.91 7.12 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 * Residues marked with a * may have inaccurate shift predictions.