NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 R 4.6388 8.1133 119.6695 56.1854 32.1313 173.9658 14 E 5.2170 8.9489 121.1242 53.7657 33.6476 169.6748 15 V 4.9643 9.1716 121.7557 61.2673 35.3961 174.0003 16 V 4.8625 8.8787 127.1303 61.1630 33.8476 174.6651 17 I 4.7021 8.6590 127.8282 59.4669 40.2859 174.5073 18 V 4.8796 8.9877 127.2675 60.9326 34.4267 173.8052 19 K 5.0449 9.2007 129.9152 54.9411 34.2750 174.8979 20 S 5.0467 9.4474 123.4942 57.0780 66.4163 173.4871 21 T 5.0212 8.1748 119.8027 60.9729 70.2551 171.6809 22 P 4.6598 0.0000 0.0000 62.0100 32.4754 176.6487 23 Q 4.1598 9.0996 121.8286 55.7790 30.0977 176.4072 24 R 4.0299 8.5811 121.5099 58.4672 30.2386 177.0356 25 G 4.0434 9.1538 112.7729 45.6820 0.0000 173.6271 26 K 4.6877 8.0564 118.2080 56.0754 33.1388 177.8313 27 F 4.0836 8.5773 122.8688 61.7702 39.3327 176.9282 28 N 4.4525 8.4751 115.3749 56.1522 38.4355 177.1616 29 A 4.0181 8.1021 121.8461 55.2017 18.5996 179.3235 30 F 3.7689 8.6399 119.1967 61.1133 39.4593 177.1065 31 A 3.9712 7.8850 121.8960 54.3551 17.9620 179.2574 32 E 3.7285 7.9430 117.6537 59.1529 29.6026 178.7478 33 L 3.7450 7.4287 120.4977 58.1542 42.1120 179.4492 34 V 3.4061 7.4196 119.3181 64.2019 31.1999 178.4123 35 G 3.5277 7.7978 106.7459 47.5063 0.0000 175.5859 36 K 3.8825 7.5138 120.5196 59.2798 32.2349 178.9240 37 L 3.7176 7.4369 119.3164 57.6681 41.3446 179.7116 38 V 3.7033 8.2021 118.6859 66.0541 31.5146 178.2957 39 S 4.1142 8.0808 114.9731 61.6802 62.4526 176.5017 40 E 4.2135 8.2136 120.1907 59.7644 29.4796 179.3516 41 T 4.2793 8.4576 115.8865 66.7601 68.3645 176.6677 42 R 3.6911 8.1146 119.7402 59.3138 30.0918 177.3734 43 D 4.5560 7.7353 115.3063 53.6928 41.7446 176.3960 44 F 3.9460 7.8697 123.9768 56.6895 40.0956 172.7534 45 P 4.3379 0.0000 0.0000 64.3111 31.5275 176.7486 46 G 4.0485 9.0661 111.6789 45.1746 0.0000 172.2073 47 C 3.5383 7.7455 120.6580 58.5693 31.3625 173.2364 48 L 4.1506 8.2760 127.7687 54.8155 42.0107 177.3135 49 G 3.9459 6.6563 109.6475 45.3097 0.0000 171.7184 50 A 4.7488 7.4273 122.8853 50.3582 22.5419 175.4542 51 Y 4.6854 8.3207 117.9167 56.1421 41.8441 174.5294 52 L 5.1026 8.3254 124.5028 52.9676 45.0592 175.1232 *54 L 4.3073 8.0990 119.3902 54.8135 42.8605 177.6925 55 A 4.7104 8.9533 125.2202 48.9887 19.2367 174.3502 56 P 2.9700 0.0000 0.0000 64.7437 31.5747 179.7364 57 E 3.9150 7.9556 115.2917 58.2383 29.6680 177.4376 58 R 4.2816 7.8298 116.6680 55.0443 30.7902 175.3210 59 N 4.2221 7.7357 115.8988 54.7100 38.0444 173.3661 60 E 5.1112 8.0999 116.2882 54.5658 33.7025 174.3549 61 Q 5.0402 9.2280 124.4416 54.1193 32.8290 174.4297 62 V 4.6873 8.5310 122.0931 61.3237 34.6086 174.6552 63 V 5.2416 8.9651 127.7425 60.4870 35.0175 173.4598 *65 H 5.0174 8.4210 115.2448 55.6000 30.1588 172.1513 66 I 4.9159 8.0582 120.5564 59.3997 40.3171 174.5930 67 W 5.0219 8.9936 125.6896 54.7083 31.8853 176.2449 68 E 4.2254 9.5389 126.7299 59.0477 29.8197 176.9128 69 T 4.8657 7.9071 107.2681 58.2231 72.1648 172.7125 70 P 4.6880 0.0000 0.0000 65.1107 31.2089 178.5994 71 D 4.3707 8.2374 117.2526 57.4733 40.8172 178.6712 72 A 4.1714 8.2124 120.9505 55.0514 18.3970 179.2688 73 L 2.4400 7.6298 118.4209 58.0777 42.0899 179.1985 74 E 3.8058 8.3002 118.3191 59.1074 29.2561 179.1582 75 A 4.0381 8.1214 120.9858 55.2747 18.4830 179.0152 76 Y 2.8634 7.5386 117.8615 60.4927 38.4889 178.3777 77 L 3.4709 7.4623 118.6527 57.7739 41.4334 179.4278 78 T 3.9065 7.8353 115.7371 66.2777 68.1910 176.5844 79 W 4.2147 8.0993 129.5009 60.3383 31.0878 177.7173 80 R 3.1085 7.7383 114.8329 57.4308 28.7492 178.2864 81 A 3.7468 7.0241 121.9576 54.8366 18.3657 177.9196 82 D 4.7657 7.6010 111.4690 54.0878 41.7155 177.0555 83 R 4.1632 7.5660 120.7782 55.4950 31.7151 177.6168 84 G 3.6874 8.7217 110.4335 47.8806 0.0000 175.5479 85 D 4.2790 7.9200 119.9942 56.4568 39.6478 178.3187 86 F 4.0650 8.0729 119.0934 59.9587 39.0105 177.5132 87 L 4.0986 8.3016 118.4389 57.2371 41.3701 178.8797 88 E 4.2563 8.2205 119.7022 59.0025 29.3886 178.5096 89 I 4.0232 7.6645 113.4623 64.4717 37.0799 177.8082 90 N 4.3963 8.1210 117.0847 55.9199 38.4178 176.3167 91 E 4.2210 8.2918 117.8469 57.5128 30.0630 176.5760 92 Y 4.5159 8.3789 115.8263 57.3200 40.2091 175.2405 93 L 4.9048 7.5996 118.8626 52.7250 43.9892 176.0760 94 E 4.1143 8.8889 123.2614 58.4214 29.8564 176.8197 95 V 4.5925 7.2288 109.2662 58.7616 35.9254 174.5153 96 E 4.1200 8.5406 118.9484 56.3346 29.8766 176.9488 97 Q 4.2845 8.5252 120.0922 56.5176 29.8798 175.6865 98 D 4.7284 9.0554 123.2683 53.3336 42.2748 174.6732 99 F 5.2633 8.8741 128.9451 56.4182 41.3154 174.6837 100 K 4.7674 8.8187 124.8101 54.9619 36.2015 175.3673 101 T 5.0836 8.3287 119.6750 62.2283 71.0920 173.1938 102 Y 4.8980 8.9915 121.2859 56.4168 43.0240 174.2126 103 Q 4.6158 8.7441 120.3421 55.2520 30.0304 175.4215 104 L 4.2700 8.5915 126.6016 54.4546 42.8389 176.6201 105 A 4.2168 8.5766 128.1836 52.5108 18.5601 176.7430 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 13 R 8.11 4.64 0.00 1.84 2.04 0.00 3.05 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 14 E 8.95 5.22 0.00 2.05 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 2.43 2.42 0.00 15 V 9.17 4.96 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 1.10 0.00 0.00 0.99 0.00 0.00 16 V 8.88 4.86 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 0.01 0.00 0.00 0.99 0.00 0.00 17 I 8.66 4.70 2.04 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.80 0.93 0.00 0.00 18 V 8.99 4.88 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 1.20 0.00 0.00 0.79 0.00 0.00 19 K 9.20 5.04 0.00 1.90 1.70 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.45 7.81 20 S 9.45 5.05 0.00 3.85 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.17 5.02 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 1.28 0.00 0.00 22 P 0.00 4.66 0.00 2.06 1.97 0.00 4.13 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 23 Q 9.10 4.16 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 24 R 8.58 4.03 0.00 1.78 1.88 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 25 G 9.15 4.04 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 0.00 0.00 0.00 26 K 8.06 4.69 0.00 2.05 2.04 0.00 1.65 0.00 0.00 1.32 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.51 7.81 27 F 8.58 4.08 0.00 3.16 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.45 0.00 2.90 2.94 0.00 0.00 6.91 7.88 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 29 A 8.10 4.02 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.64 3.77 0.00 3.24 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 31 A 7.88 3.97 1.20 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 0.00 0.00 0.00 0.00 0.00 32 E 7.94 3.73 0.00 2.00 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 2.21 2.25 0.00 33 L 7.43 3.74 0.00 1.39 1.17 0.20 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.42 3.41 0.68 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 0.62 0.00 0.00 0.83 0.00 0.00 35 G 7.80 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.51 3.88 0.00 1.78 1.80 0.00 1.59 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.43 7.81 37 L 7.44 3.72 0.00 1.64 1.37 0.71 -0.05 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 38 V 8.20 3.70 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 1.10 0.00 0.00 1.00 0.00 0.00 39 S 8.08 4.11 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 40 E 8.21 4.21 0.00 2.47 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 41 T 8.46 4.28 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 0.76 0.00 0.00 42 R 8.11 3.69 0.00 1.79 2.09 0.00 3.15 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 43 D 7.74 4.56 0.00 2.89 2.67 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 44 F 7.87 3.95 0.00 3.18 3.11 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 45 P 0.00 4.34 0.00 1.87 1.85 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 46 G 9.07 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 0.00 0.00 0.00 47 C 7.75 3.54 0.00 1.98 2.56 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 0.00 0.00 0.00 0.00 48 L 8.28 4.15 0.00 1.50 1.61 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 G 6.66 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.43 4.75 1.04 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 0.00 0.00 51 Y 8.32 4.69 0.00 3.02 2.79 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 52 L 8.33 5.10 0.00 1.55 1.55 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *54 L 8.10 4.31 0.00 1.84 1.94 1.01 0.67 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 55 A 8.95 4.71 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 56 P 0.00 2.97 0.00 1.85 1.68 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 57 E 7.96 3.91 0.00 2.04 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 2.24 2.25 0.00 58 R 7.83 4.28 0.00 1.86 2.01 0.00 3.32 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 59 N 7.74 4.22 0.00 2.81 2.87 0.00 0.00 6.79 7.03 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 60 E 8.10 5.11 0.00 2.25 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 2.35 2.38 0.00 61 Q 9.23 5.04 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 62 V 8.53 4.69 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 63 V 8.97 5.24 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 1.39 0.00 0.00 1.02 0.00 0.00 *65 H 8.42 5.02 0.00 2.97 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.06 4.92 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.90 0.00 0.00 67 W 8.99 5.02 0.00 3.45 3.33 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 68 E 9.54 4.23 0.00 1.96 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 2.36 2.36 0.00 69 T 7.91 4.87 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 1.27 0.00 0.00 70 P 0.00 4.69 0.00 2.20 2.24 0.00 3.94 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 2.15 2.17 0.00 71 D 8.24 4.37 0.00 2.82 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 72 A 8.21 4.17 1.73 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 0.00 0.00 73 L 7.63 2.44 0.00 1.19 1.62 0.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.30 3.81 0.00 1.97 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 2.53 2.43 0.00 75 A 8.12 4.04 1.59 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 0.00 0.00 76 Y 7.54 2.86 0.00 1.43 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 0.00 0.00 0.00 77 L 7.46 3.47 0.00 1.44 1.47 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.84 3.91 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 1.21 0.00 0.00 79 W 8.10 4.21 0.00 3.40 3.42 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 80 R 7.74 3.11 0.00 0.67 0.93 0.00 2.21 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.00 0.00 81 A 7.02 3.75 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 82 D 7.60 4.77 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 4.16 0.00 1.87 1.95 0.00 2.21 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.00 84 G 8.72 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.92 4.28 0.00 2.63 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 86 F 8.07 4.07 0.00 3.15 3.11 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 87 L 8.30 4.10 0.00 1.89 1.74 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.22 4.26 0.00 2.24 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 2.52 2.48 0.00 89 I 7.66 4.02 2.16 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 1.74 0.60 1.13 0.00 0.00 90 N 8.12 4.40 0.00 2.91 2.96 0.00 0.00 7.07 7.70 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 91 E 8.29 4.22 0.00 2.21 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 2.35 0.00 92 Y 8.38 4.52 0.00 3.27 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 93 L 7.60 4.90 0.00 1.53 1.53 0.76 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.89 4.11 0.00 1.86 1.95 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 0.00 2.31 2.31 0.00 95 V 7.23 4.59 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 0.82 0.00 0.00 0.93 0.00 0.00 96 E 8.54 4.12 0.00 2.09 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 2.29 2.36 0.00 97 Q 8.53 4.28 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 98 D 9.06 4.73 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.87 5.26 0.00 3.12 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 0.00 100 K 8.82 4.77 0.00 1.76 1.27 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.60 7.81 101 T 8.33 5.08 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 1.32 0.00 0.00 102 Y 8.99 4.90 0.00 2.90 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 0.00 103 Q 8.74 4.62 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 104 L 8.59 4.27 0.00 1.71 1.72 0.92 0.88 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 0.00 105 A 8.58 4.22 1.25 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.