NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8137 8.3549 109.7422 45.2665 0.0000 173.1437 *2 I 4.0385 8.0115 125.7231 61.1570 39.2467 174.9030 3 R 4.9223 8.3998 124.2145 54.3458 33.8095 174.0070 4 L 5.1328 8.8584 123.9137 52.7022 44.8356 175.2791 5 L 5.1635 8.6617 124.9814 53.4460 45.5176 174.6136 6 Y 5.3052 9.2843 122.0872 56.3434 42.2094 174.2106 7 L 4.8640 9.0836 124.5991 53.7837 43.5697 175.5754 8 L 5.2665 9.4433 124.1240 52.8809 44.8225 175.5626 9 V 4.8093 8.6005 123.2947 60.6520 34.2598 175.1039 10 K 4.5584 8.6371 127.0873 55.8251 33.3626 175.1499 11 P 4.4641 0.0000 0.0000 62.2946 32.2301 176.2350 12 A 3.8324 8.4358 125.4004 53.9771 19.0461 177.5813 13 G 3.5210 8.4916 111.4189 46.0650 0.0000 173.2254 *15 S 4.2856 7.4101 115.3122 58.3544 65.9819 174.5790 16 D 4.4598 8.5500 122.8937 57.5294 40.6909 178.6712 17 E 3.9527 8.2137 119.2549 59.8628 29.6383 179.0152 18 T 3.9275 8.0621 115.6043 66.3986 68.5087 176.5060 19 F 4.2054 8.6526 123.0354 61.4271 39.4685 177.1421 20 R 3.7205 8.4201 118.2298 59.3584 29.7865 178.3165 21 A 3.9599 7.8796 120.3248 55.2424 18.3157 179.5076 22 E 3.7050 8.2431 117.2131 59.2739 29.3403 179.3096 23 C 3.5055 7.3573 116.9537 62.3066 28.0412 175.8527 24 L 3.9833 7.7825 121.8717 58.1573 41.5085 178.8038 25 R 3.8762 7.8718 117.5876 59.8167 30.0226 177.5139 26 H 4.4641 8.3110 117.1491 59.4564 29.9528 176.2555 27 Y 4.7177 8.3640 120.4883 60.7726 38.4768 179.3851 28 E 3.8960 8.5263 118.9362 56.5795 29.6810 179.0697 *30 S 3.3048 8.1404 115.8543 58.2828 64.8473 175.2672 31 H 4.1731 7.2947 115.9394 57.7018 28.4209 175.6541 32 D 4.6852 7.6537 117.4182 53.6832 41.2444 175.6382 33 V 3.9246 7.1328 120.7791 60.5065 31.7461 173.7909 34 P 4.3300 0.0000 0.0000 64.1586 31.7289 177.4300 35 G 4.1461 8.9692 110.3139 45.5206 0.0000 173.2866 36 L 4.1794 7.5152 121.7996 54.4948 42.5465 175.6960 37 H 4.4945 8.8524 127.1754 58.8647 30.6377 175.1732 38 K 4.5158 7.6181 116.3778 55.5605 35.3044 173.6822 39 Y 5.8938 8.5629 125.4645 56.2899 42.4465 173.7824 40 E 4.8614 8.7189 124.8087 54.5916 33.7543 174.2478 41 V 4.9170 8.0745 124.5525 60.1669 34.5457 174.7120 42 R 4.7606 9.1089 122.7584 54.2459 34.2837 174.7781 43 L 4.7639 8.5443 121.6836 54.5018 43.1107 176.5743 44 V 4.0350 8.4178 122.3750 62.1401 31.4243 175.6834 45 A 4.3134 8.7791 131.5503 53.9665 19.2813 176.9662 46 E 4.6494 7.8096 113.9699 54.5967 32.7440 174.3432 47 Q 4.6862 8.4322 123.9059 53.4697 31.3658 173.8770 48 P 4.2182 0.0000 0.0000 65.1702 31.9337 176.0460 *60 H 4.5320 7.9251 117.6880 55.7923 30.3704 171.9031 61 V 4.3124 8.5007 127.0057 61.4143 33.1168 174.8709 62 D 4.7795 8.9796 126.2698 55.7679 42.6666 176.0166 63 A 5.1516 7.8360 117.6897 50.9896 23.1402 175.0222 64 I 4.9399 9.2791 120.4797 59.5666 40.2271 175.3079 65 G 4.6149 9.3844 114.5257 44.5814 0.0000 171.7507 66 E 5.3677 9.1832 122.5887 54.7029 33.5366 173.5804 67 C 5.7485 9.5499 124.5868 57.9410 31.4452 172.7610 68 W 5.1782 9.1338 122.3196 54.9115 32.4811 174.6231 69 F 5.1101 9.2751 122.3761 55.5317 41.7193 176.4937 70 K 3.8954 9.2445 123.0609 59.5485 32.3523 176.5758 71 D 4.5714 7.5701 114.9586 51.6730 43.4788 175.8984 72 D 4.4183 8.6429 118.3385 57.6833 40.5802 178.9720 73 A 4.0173 8.1150 120.4189 55.0615 18.3914 179.3282 74 A 4.0345 8.7315 119.6299 55.6118 18.2838 179.2716 75 Y 3.6372 7.9646 116.7142 60.5357 38.8427 177.7440 76 A 4.1033 8.1860 121.4209 55.3226 18.5641 179.4530 77 T 4.0170 8.0733 113.5683 66.8540 68.8688 177.0462 78 Y 4.4965 8.3455 120.0013 57.7469 38.8177 177.3192 *80 A 4.2089 7.8987 119.8679 50.9013 20.7411 178.0625 81 S 4.3018 7.4530 111.2903 57.7001 63.9713 174.6553 82 D 4.3574 8.5973 128.6027 57.2094 40.6710 179.0056 83 I 3.7047 7.5678 120.2503 64.2142 37.1248 178.0803 84 R 3.8669 7.8964 119.5260 59.3620 29.7294 178.4996 85 K 3.6470 7.8149 117.9865 59.5540 32.0680 179.1016 86 A 4.0349 8.1319 120.8364 54.7412 18.2218 179.5023 87 W 4.3493 8.3128 126.9558 60.8465 30.8580 178.1902 88 F 3.9737 8.9093 118.1109 60.6624 38.0946 177.4008 89 E 3.9994 8.3527 117.4450 59.6956 29.5013 178.6380 90 H 4.4495 8.4954 118.3264 59.2513 29.9790 177.2177 91 G 3.2883 8.1091 107.5863 47.9700 0.0000 175.6172 92 K 3.9258 7.5578 119.0782 59.0563 32.0032 179.2291 93 T 4.1318 7.9939 116.5720 65.4711 68.4410 174.9481 94 F 4.9147 7.7040 111.1679 56.0059 38.9630 174.4286 95 I 4.3069 7.1727 122.9001 59.6639 37.8941 175.5639 96 G 3.7780 8.8790 114.4385 48.7972 0.0000 172.9565 97 Q 4.7921 7.7655 117.6329 54.0405 33.6700 173.8705 98 L 5.0585 8.2147 121.5035 53.6933 45.6659 174.9073 99 K 4.4631 9.0169 126.4277 54.1138 34.6454 173.0453 100 P 4.9628 0.0000 0.0000 61.6284 33.4865 175.0775 101 F 4.8740 8.6771 119.4099 55.9769 43.5509 173.3580 102 R 4.9326 8.7427 123.3291 55.0872 31.3084 175.3574 103 T 4.7406 8.4486 115.8889 60.0567 71.4135 173.3569 104 A 4.7217 8.1153 123.7199 49.4932 22.4201 174.3404 105 P 4.4816 0.0000 0.0000 62.7123 32.0638 177.2507 106 V 3.7828 8.2673 111.9251 62.4336 32.0902 176.3450 107 A 4.3079 7.7909 127.7155 52.1345 19.0574 176.6700 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 0 G 8.35 3.81 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 0.00 0.00 0.00 *2 I 8.01 4.04 2.11 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 0.83 0.00 0.00 3 R 8.40 4.92 0.00 1.50 1.34 0.00 3.02 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.44 0.00 4 L 8.86 5.13 0.00 1.78 1.33 1.28 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.66 5.16 0.00 1.58 1.46 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.28 5.31 0.00 2.92 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 7 L 9.08 4.86 0.00 1.68 1.67 1.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.44 5.27 0.00 1.82 1.68 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.60 4.81 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 1.08 0.00 0.00 0.95 0.00 0.00 10 K 8.64 4.56 0.00 1.52 0.74 0.00 1.57 0.00 0.00 1.40 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.26 7.81 11 P 0.00 4.46 0.00 1.98 2.03 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 12 A 8.44 3.83 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 13 G 8.49 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 4.29 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 16 D 8.55 4.46 0.00 2.76 2.84 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 0.00 0.00 0.00 17 E 8.21 3.95 0.00 2.11 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 2.40 2.49 0.00 18 T 8.06 3.93 4.32 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 1.27 0.00 0.00 19 F 8.65 4.21 0.00 3.21 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 20 R 8.42 3.72 0.00 2.03 2.07 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 21 A 7.88 3.96 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 22 E 8.24 3.71 0.00 1.58 1.44 0.00 0.00 0.00 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 23 C 7.36 3.51 0.00 2.87 2.84 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 0.00 0.00 0.00 24 L 7.78 3.98 0.00 1.74 1.80 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.87 3.88 0.00 1.79 2.04 0.00 3.52 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 26 H 8.31 4.46 0.00 3.21 3.68 0.00 6.01 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.36 4.72 0.00 3.17 3.31 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 28 E 8.53 3.90 0.00 2.19 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 2.41 2.61 0.00 *30 S 8.14 3.30 0.00 3.59 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 31 H 7.29 4.17 0.00 3.05 3.24 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.65 4.69 0.00 2.51 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 33 V 7.13 3.92 1.69 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 0.96 0.00 0.00 0.06 0.00 0.00 34 P 0.00 4.33 0.00 2.23 1.97 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 35 G 8.97 4.15 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 0.00 0.00 0.00 36 L 7.52 4.18 0.00 1.74 1.77 0.77 1.05 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 37 H 8.85 4.49 0.00 3.24 3.51 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.62 4.52 0.00 1.46 1.24 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.54 1.05 7.81 39 Y 8.56 5.89 0.00 3.04 2.90 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 40 E 8.72 4.86 0.00 2.18 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 2.17 2.18 0.00 41 V 8.07 4.92 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 0.96 0.00 0.00 1.04 0.00 0.00 42 R 9.11 4.76 0.00 1.73 1.81 0.00 3.26 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 43 L 8.54 4.76 0.00 1.58 1.68 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.42 4.03 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 0.74 0.00 0.00 0.96 0.00 0.00 45 A 8.78 4.31 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 46 E 7.81 4.65 0.00 1.88 1.76 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 2.18 2.32 0.00 47 Q 8.43 4.69 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 48 P 0.00 4.22 0.00 2.17 2.17 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 *60 H 7.93 4.53 0.00 3.11 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.50 4.31 2.05 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 0.92 0.00 0.00 0.94 0.00 0.00 62 D 8.98 4.78 0.00 2.33 2.27 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 63 A 7.84 5.15 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 64 I 9.28 4.94 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.91 0.96 0.00 0.00 65 G 9.38 4.61 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 0.00 0.00 0.00 66 E 9.18 5.37 0.00 1.89 1.69 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 1.47 2.07 0.00 67 C 9.55 5.75 0.00 3.25 2.64 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 68 W 9.13 5.18 0.00 3.14 2.90 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 69 F 9.28 5.11 0.00 3.00 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 70 K 9.24 3.90 0.00 1.82 1.92 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.46 7.81 71 D 7.57 4.57 0.00 3.00 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 72 D 8.64 4.42 0.00 2.74 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 73 A 8.12 4.02 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 74 A 8.73 4.03 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 0.00 0.00 0.00 0.00 0.00 75 Y 7.96 3.64 0.00 2.65 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 76 A 8.19 4.10 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 77 T 8.07 4.02 4.47 0.00 0.00 0.00 0.00 0.00 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 78 Y 8.35 4.50 0.00 3.22 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 *80 A 7.90 4.21 1.29 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 0.00 0.00 81 S 7.45 4.30 0.00 3.94 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 82 D 8.60 4.36 0.00 2.69 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 83 I 7.57 3.70 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.90 0.00 0.00 84 R 7.90 3.87 0.00 1.45 1.71 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.00 0.00 85 K 7.81 3.65 0.00 1.94 1.78 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.44 7.81 86 A 8.13 4.03 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 87 W 8.31 4.35 0.00 3.46 3.55 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 88 F 8.91 3.97 0.00 3.12 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 89 E 8.35 4.00 0.00 2.16 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 2.58 2.50 0.00 90 H 8.50 4.45 0.00 3.34 3.65 0.00 5.61 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 91 G 8.11 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 0.00 0.00 0.00 92 K 7.56 3.93 0.00 1.88 1.83 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.60 7.81 93 T 7.99 4.13 4.44 0.00 0.00 0.00 0.00 0.00 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 94 F 7.70 4.91 0.00 3.18 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 95 I 7.17 4.31 1.49 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.36 0.75 0.00 0.00 96 G 8.88 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 97 Q 7.77 4.79 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 98 L 8.21 5.06 0.00 1.49 1.41 1.10 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.02 4.46 0.00 1.80 1.56 0.00 1.27 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.11 0.54 7.81 100 P 0.00 4.96 0.00 2.01 2.20 0.00 3.51 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.01 0.00 101 F 8.68 4.87 0.00 2.73 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 0.00 102 R 8.74 4.93 0.00 1.75 1.78 0.00 3.05 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 103 T 8.45 4.74 4.14 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 1.08 0.00 0.00 104 A 8.12 4.72 1.18 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 0.00 0.00 105 P 0.00 4.48 0.00 2.19 2.06 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 106 V 8.27 3.78 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 0.68 0.00 0.00 0.92 0.00 0.00 107 A 7.79 4.31 1.22 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.