NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3628 8.3193 115.4033 58.4816 63.5491 173.6514 4 V 4.2572 7.4111 126.4491 59.7950 31.1895 172.5050 5 Y 4.1203 8.7115 122.2750 58.5104 39.5965 176.9825 6 I 4.2809 8.3462 126.5445 60.4371 38.2777 176.0096 7 V 4.3154 8.4051 122.5751 61.4680 33.3527 175.3826 8 E 4.4922 8.0779 118.3382 54.5906 31.8857 174.3257 9 E 4.5560 8.7771 123.9332 54.8247 31.1061 175.2972 10 H 5.0438 8.4045 119.4990 54.2738 33.1292 171.9415 11 Y 4.6357 8.5841 117.3728 56.2751 40.4695 175.4579 12 I 4.5270 8.1714 124.0858 58.7412 39.6166 173.8984 13 P 4.6031 0.0000 0.0000 62.1883 32.4042 176.5227 14 Y 4.1669 9.0598 118.6838 61.7462 37.7616 179.0929 15 S 4.3407 8.2291 114.4872 61.0664 63.4109 176.5107 16 V 3.6231 7.8107 122.1167 64.0370 31.5347 178.0701 17 A 4.0752 8.1358 120.8604 54.6136 17.9521 179.2798 18 K 3.9089 7.5889 117.0555 60.0811 32.2468 179.1031 19 K 4.5215 7.8786 112.7757 56.5211 31.9879 178.0710 20 L 4.5613 7.8189 120.7923 56.1201 43.0766 177.9332 21 L 4.3773 7.9448 116.2611 55.7998 42.1034 178.5697 22 S 4.2111 8.5725 115.1297 60.8240 63.0245 176.0652 23 D 4.3727 7.5611 121.5339 56.8940 40.6344 178.4718 24 V 3.7477 7.7160 118.0281 63.3749 32.2467 176.2358 25 I 4.2726 7.0466 121.6992 61.1877 36.6626 176.1493 26 K 4.6345 7.6668 117.0420 56.0845 34.7086 177.1588 27 S 4.6148 8.0950 111.4857 58.8460 69.2668 174.6859 28 G 3.9378 7.7445 115.9491 42.3099 0.0000 173.1910 29 S 4.1037 8.4735 121.4106 57.9413 63.4847 174.6279 30 S 4.4748 8.2675 118.4669 57.2391 64.6557 173.1423 31 S 4.6164 7.9928 115.1635 56.9260 64.8044 174.3163 32 N 4.4948 8.5209 116.0837 55.6597 38.2362 176.6378 33 L 4.3712 7.6936 116.7676 55.5345 42.3424 177.7105 34 L 4.6171 7.5809 118.3101 56.1587 43.2951 178.3215 35 Q 4.0499 8.2459 117.4086 58.3550 28.4447 179.2282 36 R 4.0491 7.7853 119.8010 59.7551 30.2799 179.0800 37 T 4.0509 7.8713 114.9708 66.6003 68.2352 176.1281 38 Y 4.2549 8.7189 121.5792 60.9071 39.0026 177.4111 39 D 4.4157 8.0074 118.0757 56.7890 40.7590 178.1573 40 Y 4.2506 8.3887 120.7161 60.5604 38.2785 177.7659 41 L 3.8461 7.9455 119.5035 57.2911 41.4042 179.2079 42 N 4.2479 7.3083 115.0038 56.1882 38.6485 177.0494 43 S 4.3110 7.8117 112.6101 59.6805 63.7292 175.4945 44 V 3.9157 6.8533 121.2904 61.3128 31.7906 175.9102 45 E 3.8970 7.1714 118.8058 57.0366 29.3230 176.6365 46 K 4.5808 8.4437 122.2523 55.6982 33.3685 175.4377 47 C 4.5424 7.5203 113.0939 57.7256 31.5982 172.3858 48 D 4.6648 8.3814 118.1093 53.5934 42.3568 177.4822 49 A 4.1394 8.5506 126.3747 55.6118 18.6490 180.1166 50 E 4.1714 8.0913 116.1776 58.9050 29.6530 178.5506 51 S 4.3842 7.8046 112.1893 59.3333 62.5916 175.8654 52 A 4.0652 7.6778 123.9011 55.0310 16.8224 179.7886 53 Q 3.8911 7.7729 116.0255 58.7493 27.2898 178.5990 54 K 4.2501 8.0181 119.0616 58.5613 32.0033 179.6038 55 V 3.8659 7.5732 120.4938 64.6694 31.6327 178.9190 56 V 3.6679 7.3999 119.5987 64.2060 30.9531 178.3002 57 E 3.9748 7.4332 116.4485 59.3560 29.4450 178.6320 58 E 4.2026 7.4982 115.1828 58.1942 29.6998 178.8399 59 L 4.3854 7.3392 119.3234 56.7113 42.5881 178.4415 60 S 4.4817 7.7931 115.6426 58.2529 61.5953 172.9986 61 S 4.4659 8.0707 120.6159 59.7830 66.8915 175.0295 62 I 4.3202 7.3600 119.5649 58.7303 38.9859 175.9808 63 I 3.9455 7.9868 122.3849 61.7172 35.2599 174.2205 64 S 4.6936 7.7918 119.8592 56.5618 67.1029 172.9478 65 R 4.6281 8.0205 119.3059 54.5307 32.3456 177.2015 66 E 3.8675 8.4480 117.9006 58.5940 29.6653 178.9229 67 D 3.3700 7.7616 119.5881 55.6702 39.5210 178.8149 68 V 3.4541 7.4007 120.0374 64.4332 31.7034 178.3265 69 R 4.0332 7.3971 116.4826 57.8166 29.8143 177.9630 70 A 4.4155 7.8016 120.5099 54.0079 19.2129 179.3775 71 V 3.8025 7.3950 117.2103 64.2177 31.6833 177.8040 72 L 4.2017 7.7797 117.7127 55.5371 41.5639 178.3506 73 A 4.0902 7.6435 121.0002 53.9491 18.4262 178.1057 74 S 4.6756 7.9588 108.8215 58.3945 65.2425 175.7495 75 I 3.6284 7.4922 121.7970 64.4148 37.1376 175.0582 76 C 3.7021 7.3194 117.7986 59.5563 24.7907 170.4705 77 P 4.4913 0.0000 0.0000 62.4346 32.5019 177.1925 78 I 4.0823 8.3329 122.5456 63.7824 38.1496 176.6565 79 T 4.2967 7.5305 116.7915 62.0204 68.9674 173.9346 80 P 4.2936 0.0000 0.0000 66.3212 30.7205 178.5918 81 D 4.5083 7.9931 118.2942 57.2169 40.7140 178.0149 82 E 4.0343 7.9036 118.4520 58.5280 30.0617 178.4440 83 V 3.9624 7.3036 118.8426 63.3539 31.4404 177.7251 84 R 4.2389 7.6354 118.2930 57.4188 29.6334 177.6056 85 S 4.5235 7.3940 111.6651 59.0438 63.4519 174.7996 86 I 4.5563 7.1869 120.0475 60.0152 36.8121 175.1934 87 L 4.5830 7.6411 119.1714 54.3839 43.0317 178.8237 88 I 3.8743 7.5907 112.6807 63.5018 38.1467 176.6576 89 M 4.3442 7.9718 117.3222 55.8218 31.8022 176.0410 90 D 4.8052 7.6706 118.5465 54.5838 42.8835 178.1323 91 S 3.8737 7.5362 113.2140 60.5250 62.4953 174.1216 92 N 4.4901 7.3679 119.1730 53.5071 39.1469 175.9384 *93 R 4.1415 8.3163 117.0471 56.6549 30.1939 176.4470 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 3 S 8.32 4.36 0.00 4.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 4.26 2.04 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 0.64 0.00 0.00 0.91 0.00 0.00 5 Y 8.71 4.12 0.00 2.99 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 6 I 8.35 4.28 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.36 0.91 0.00 0.00 7 V 8.41 4.32 2.11 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 0.79 0.00 0.00 0.94 0.00 0.00 8 E 8.08 4.49 0.00 1.94 1.93 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 2.22 2.27 0.00 9 E 8.78 4.56 0.00 1.92 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 2.14 2.27 0.00 10 H 8.40 5.04 0.00 3.07 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.58 4.64 0.00 2.92 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 12 I 8.17 4.53 1.84 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 1.47 0.56 0.91 0.00 0.00 13 P 0.00 4.60 0.00 2.30 2.38 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 14 Y 9.06 4.17 0.00 2.93 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 15 S 8.23 4.34 0.00 4.15 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 16 V 7.81 3.62 2.11 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 0.85 0.00 0.00 0.99 0.00 0.00 17 A 8.14 4.08 1.36 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 0.00 0.00 18 K 7.59 3.91 0.00 1.86 1.92 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 19 K 7.88 4.52 0.00 1.92 1.86 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.40 7.81 20 L 7.82 4.56 0.00 1.95 1.68 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.94 4.38 0.00 1.86 1.81 1.04 0.76 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 22 S 8.57 4.21 0.00 4.17 4.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.37 0.00 3.00 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 24 V 7.72 3.75 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 0.77 0.00 0.00 0.94 0.00 0.00 25 I 7.05 4.27 1.81 0.00 0.00 0.48 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 0.31 0.81 0.00 0.00 26 K 7.67 4.63 0.00 1.82 1.77 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.40 7.81 27 S 8.10 4.61 0.00 3.91 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 28 G 7.74 3.94 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 0.00 0.00 0.00 29 S 8.47 4.10 0.00 3.96 3.86 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 30 S 8.27 4.47 0.00 3.97 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 31 S 7.99 4.62 0.00 4.02 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 32 N 8.52 4.49 0.00 2.86 2.92 0.00 0.00 6.86 6.74 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 33 L 7.69 4.37 0.00 1.65 1.70 0.92 0.76 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 34 L 7.58 4.62 0.00 1.82 1.66 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.25 4.05 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 36 R 7.79 4.05 0.00 1.93 1.99 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 37 T 7.87 4.05 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 1.32 0.00 0.00 38 Y 8.72 4.25 0.00 2.95 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 39 D 8.01 4.42 0.00 2.93 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 40 Y 8.39 4.25 0.00 3.13 3.24 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 0.00 0.00 0.00 0.00 41 L 7.95 3.85 0.00 1.76 1.66 1.19 1.00 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 42 N 7.31 4.25 0.00 2.83 2.77 0.00 0.00 7.02 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 43 S 7.81 4.31 0.00 3.96 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 44 V 6.85 3.92 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 0.54 0.00 0.00 0.48 0.00 0.00 45 E 7.17 3.90 0.00 2.09 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 2.32 2.44 0.00 46 K 8.44 4.58 0.00 1.58 1.70 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.38 7.81 47 C 7.52 4.54 0.00 3.03 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 48 D 8.38 4.66 0.00 2.63 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 49 A 8.55 4.14 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 50 E 8.09 4.17 0.00 2.03 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 2.40 2.40 0.00 51 S 7.80 4.38 0.00 3.94 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 52 A 7.68 4.07 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 53 Q 7.77 3.89 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 54 K 8.02 4.25 0.00 1.81 1.86 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 55 V 7.57 3.87 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 1.00 0.00 0.00 0.94 0.00 0.00 56 V 7.40 3.67 2.11 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 0.88 0.00 0.00 1.03 0.00 0.00 57 E 7.43 3.97 0.00 1.94 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 0.00 2.36 2.54 0.00 58 E 7.50 4.20 0.00 1.94 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 2.35 2.35 0.00 59 L 7.34 4.39 0.00 1.71 1.73 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.79 4.48 0.00 4.05 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 61 S 8.07 4.47 0.00 3.93 3.94 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 62 I 7.36 4.32 1.87 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 1.30 0.61 0.91 0.00 0.00 63 I 7.99 3.95 1.87 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 1.41 1.01 0.91 0.00 0.00 64 S 7.79 4.69 0.00 3.82 3.70 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 65 R 8.02 4.63 0.00 1.83 1.84 0.00 3.08 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 66 E 8.45 3.87 0.00 1.96 2.04 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 2.32 2.29 0.00 67 D 7.76 3.37 0.00 2.20 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 0.00 0.00 0.00 0.00 68 V 7.40 3.45 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 0.86 0.00 0.00 0.91 0.00 0.00 69 R 7.40 4.03 0.00 1.78 2.04 0.00 3.23 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 70 A 7.80 4.42 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 71 V 7.40 3.80 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 0.90 0.00 0.00 1.08 0.00 0.00 72 L 7.78 4.20 0.00 1.85 1.75 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.64 4.09 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 74 S 7.96 4.68 0.00 4.07 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 75 I 7.49 3.63 1.88 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 1.16 0.45 0.88 0.00 0.00 76 C 7.32 3.70 0.00 3.24 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 77 P 0.00 4.49 0.00 2.17 2.12 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 78 I 8.33 4.08 1.86 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 1.40 0.57 0.90 0.00 0.00 79 T 7.53 4.30 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 80 P 0.00 4.29 0.00 2.25 2.33 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 81 D 7.99 4.51 0.00 2.78 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 82 E 7.90 4.03 0.00 1.91 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 2.31 2.35 0.00 83 V 7.30 3.96 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 0.84 0.00 0.00 0.93 0.00 0.00 84 R 7.64 4.24 0.00 2.06 2.00 0.00 3.12 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 85 S 7.39 4.52 0.00 4.08 3.97 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 86 I 7.19 4.56 1.87 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 1.30 0.56 0.90 0.00 0.00 87 L 7.64 4.58 0.00 1.73 1.66 0.95 0.72 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 I 7.59 3.87 1.87 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 1.41 0.82 0.91 0.00 0.00 89 M 7.97 4.34 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 90 D 7.67 4.81 0.00 2.83 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 91 S 7.54 3.87 0.00 3.79 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 92 N 7.37 4.49 0.00 2.75 2.72 0.00 0.00 6.82 7.54 0.00 0.00 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 R 8.32 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.