NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 4.0904 8.0093 120.7851 60.8559 39.0813 175.0504 10 S 4.4127 8.5121 122.3965 57.0272 64.4037 171.7864 11 L 4.7185 8.8800 122.6249 53.0978 44.4390 177.6910 12 D 4.5793 8.4039 121.4845 53.8738 41.7106 175.9512 13 W 5.1368 8.2595 120.8483 55.9088 30.7098 177.3131 14 S 4.6756 8.9546 117.5284 57.6552 65.3832 175.6254 15 T 3.9786 8.3632 112.5534 65.0153 68.3722 176.3474 16 E 3.9895 8.1385 120.9807 59.3192 29.5582 178.9611 17 E 3.8293 8.1152 118.2884 59.0796 29.4215 179.4621 18 V 3.7887 7.8516 118.3816 66.2701 31.5593 178.1927 19 I 3.7059 7.6805 119.0495 64.5032 36.9458 178.1951 20 D 4.3479 8.0198 119.7949 57.2696 40.6910 179.0419 21 V 3.7981 7.8277 118.9757 65.7912 31.5399 178.2698 22 V 3.8431 8.0373 118.1769 66.5386 31.4418 177.7346 23 H 4.3418 8.6229 116.2928 58.7217 28.4748 177.5883 24 F 4.0377 8.1425 122.4020 61.4463 39.2683 177.3546 25 F 3.4352 7.8397 116.7203 60.2062 38.5520 177.7612 26 Q 4.0689 8.2468 117.6813 58.6087 28.4827 178.4865 27 A 3.9235 7.7764 122.1352 54.9011 18.1286 179.7145 28 I 3.4281 6.8201 117.4279 64.5437 37.4459 178.1087 29 E 4.1704 8.1017 119.3716 59.5573 29.3074 179.1883 30 Q 3.9772 8.2887 119.3145 59.1797 28.7450 178.2782 31 A 3.9290 7.9618 121.6446 54.7483 18.1612 178.2165 32 Y 4.2674 7.8360 112.6130 56.5103 38.6164 175.4618 33 D 4.4513 8.2748 119.3360 54.8633 39.8395 176.6688 34 Q 4.1599 9.2445 117.4629 56.0947 30.1299 176.6320 35 G 3.8808 8.9035 104.8206 45.2433 0.0000 172.5147 36 I 4.5015 8.1038 117.0874 57.7435 41.4411 174.1402 37 A 4.4915 8.3857 127.6907 51.8152 19.9662 178.6338 38 R 3.8034 8.9932 124.9718 59.5880 30.1910 178.9465 39 E 3.9388 8.1531 116.7896 59.4350 29.4875 178.5172 40 D 4.2191 7.9565 118.3690 56.9681 41.4512 177.6975 41 L 3.9356 7.9444 120.7570 58.3384 42.1002 178.9915 42 L 4.2428 8.3209 119.1932 57.6602 41.4698 179.8189 43 G 3.6484 8.1818 105.9122 47.7783 0.0000 176.0142 44 K 4.1319 8.2691 121.0742 59.2632 31.9590 178.9434 45 Y 4.0983 8.3854 120.0745 60.5588 38.5438 177.6295 46 R 3.6821 8.2554 119.0706 59.5073 30.5881 178.1468 47 R 3.9120 7.9354 118.3543 59.2625 30.0660 178.0693 48 F 3.8295 8.0804 120.5132 61.2947 39.0465 177.2392 49 K 3.9811 7.7242 116.6320 58.6944 31.8043 178.9125 50 E 3.9648 7.4023 118.3430 59.1142 29.3993 178.7380 51 I 3.8012 7.1644 118.4506 62.0690 38.7277 176.3119 52 V 4.2316 7.0461 119.2155 60.0780 30.7071 173.1407 53 P 4.2853 0.0000 0.0000 64.5350 32.3047 178.5243 54 S 4.1707 7.8137 114.6646 57.8784 63.5328 174.4468 55 K 3.9648 8.6248 129.8746 59.6032 32.1107 179.0859 56 S 4.1035 7.9348 115.1076 61.5765 62.7889 176.0995 57 E 3.9737 8.3226 122.0624 59.0184 29.2561 178.3725 58 E 3.9652 8.1355 119.4728 59.3647 29.7376 179.0051 59 K 3.9029 7.9506 118.3854 59.5088 32.0637 179.4486 60 Q 4.0837 8.1570 118.3628 58.9407 28.6313 178.7106 61 L 4.2555 8.3975 120.2110 57.8763 41.7650 179.5064 62 F 4.7366 8.9375 118.1065 60.9333 38.8264 177.7324 63 R 4.0150 8.4607 118.0138 59.3986 29.6725 178.3381 64 A 4.0292 8.0770 119.5909 55.4293 18.5727 178.7087 65 Y 3.9083 8.3445 118.1241 60.6662 38.6653 177.5382 66 E 4.3779 8.2719 118.9818 57.5464 29.6931 178.3973 67 Q 4.0534 7.5452 120.0209 58.4468 29.1974 176.3962 68 E 4.3830 7.8412 116.5228 55.9569 31.3134 175.3254 69 N 4.7461 7.3059 117.1534 51.2246 41.0753 174.5966 70 D 4.7369 8.2406 124.2054 53.0911 39.6125 174.2842 71 V 3.9284 6.9026 113.8907 58.6521 36.5249 175.8021 72 S 4.6774 8.9280 114.1738 56.2403 64.2666 173.9171 73 C 3.8369 9.1665 128.7923 62.6965 27.6869 175.4565 74 Y 4.2900 7.9938 120.5028 61.1413 38.5358 178.1863 75 Q 3.7768 8.3144 118.7705 58.9547 28.7711 179.0287 76 T 3.7246 7.7945 116.9051 66.7452 68.4469 176.9094 77 I 3.5223 7.5596 121.6900 63.8868 37.0038 178.3793 78 K 3.6450 7.8789 120.8978 59.1647 31.8615 178.7655 79 K 3.8087 7.8747 119.6050 59.4889 31.9298 178.6327 80 A 3.9366 7.5070 119.5663 55.1913 18.3108 179.5822 81 R 3.9974 7.9561 115.9518 59.2501 30.2663 178.5031 82 E 4.2538 8.0996 116.6596 59.3717 30.3897 176.7962 83 E 4.4626 8.3985 121.2558 55.4363 30.3282 174.8647 *85 E 4.1241 8.5156 121.4759 57.3385 30.9370 175.7579 86 E 4.1776 8.7155 122.5824 58.4963 31.0168 175.8861 87 H 5.1058 8.1881 118.9373 54.2269 32.1742 173.1967 88 I 4.3558 8.5412 127.0637 59.5200 39.3467 175.8989 89 Q 4.3390 8.1851 126.0798 55.0547 29.2905 174.4266 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 I 8.01 4.09 1.86 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 1.47 1.34 0.91 0.00 0.00 10 S 8.51 4.41 0.00 4.11 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.88 4.72 0.00 1.69 1.69 0.94 1.08 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 12 D 8.40 4.58 0.00 2.69 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 13 W 8.26 5.14 0.00 3.32 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 14 S 8.95 4.68 0.00 4.19 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 15 T 8.36 3.98 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 16 E 8.14 3.99 0.00 2.06 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 2.40 2.47 0.00 17 E 8.12 3.83 0.00 2.11 1.52 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 2.16 2.24 0.00 18 V 7.85 3.79 2.37 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 1.20 0.00 0.00 1.33 0.00 0.00 19 I 7.68 3.71 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.82 0.73 0.00 0.00 20 D 8.02 4.35 0.00 2.73 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 21 V 7.83 3.80 2.32 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 1.53 0.00 0.00 0.34 0.00 0.00 22 V 8.04 3.84 2.29 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 1.09 0.00 0.00 1.12 0.00 0.00 23 H 8.62 4.34 0.00 3.41 3.34 0.00 5.68 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 24 F 8.14 4.04 0.00 3.08 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 25 F 7.84 3.44 0.00 3.08 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 26 Q 8.25 4.07 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 27 A 7.78 3.92 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 28 I 6.82 3.43 1.68 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.02 0.86 0.00 0.00 29 E 8.10 4.17 0.00 2.21 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 0.00 2.67 2.60 0.00 30 Q 8.29 3.98 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 31 A 7.96 3.93 1.28 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 0.00 0.00 0.00 32 Y 7.84 4.27 0.00 3.05 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 33 D 8.27 4.45 0.00 2.75 2.42 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 34 Q 9.24 4.16 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 35 G 8.90 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 36 I 8.10 4.50 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.33 0.80 0.00 0.00 37 A 8.39 4.49 1.28 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 0.00 0.00 0.00 38 R 8.99 3.80 0.00 1.94 1.93 0.00 3.27 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 39 E 8.15 3.94 0.00 2.20 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 2.36 2.31 0.00 40 D 7.96 4.22 0.00 2.72 2.87 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 41 L 7.94 3.94 0.00 1.74 1.75 0.77 0.45 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 42 L 8.32 4.24 0.00 1.81 1.78 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.18 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.13 0.00 2.11 2.06 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.80 1.60 7.81 45 Y 8.39 4.10 0.00 3.23 3.22 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 46 R 8.26 3.68 0.00 1.87 2.13 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 47 R 7.94 3.91 0.00 1.96 2.06 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 48 F 8.08 3.83 0.00 2.66 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 49 K 7.72 3.98 0.00 1.48 1.57 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.50 0.95 7.81 50 E 7.40 3.96 0.00 2.01 1.87 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 2.24 2.39 0.00 51 I 7.16 3.80 1.37 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.28 -0.25 0.00 0.00 52 V 7.05 4.23 0.99 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 0.67 0.00 0.00 0.47 0.00 0.00 53 P 0.00 4.29 0.00 2.15 2.07 0.00 3.81 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 1.93 1.89 0.00 54 S 7.81 4.17 0.00 3.89 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 55 K 8.62 3.96 0.00 1.90 1.77 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.58 7.81 56 S 7.93 4.10 0.00 3.90 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 57 E 8.32 3.97 0.00 2.06 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 2.42 2.37 0.00 58 E 8.14 3.97 0.00 2.05 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 1.47 1.70 0.00 59 K 7.95 3.90 0.00 2.01 1.85 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.61 7.81 60 Q 8.16 4.08 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 61 L 8.40 4.26 0.00 2.34 2.44 1.45 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.94 4.74 0.00 3.33 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 4.02 0.00 2.01 2.03 0.00 3.14 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 64 A 8.08 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.34 3.91 0.00 2.76 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 66 E 8.27 4.38 0.00 2.23 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 2.61 2.40 0.00 67 Q 7.55 4.05 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 68 E 7.84 4.38 0.00 1.71 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 2.13 2.27 0.00 69 N 7.31 4.75 0.00 2.25 2.52 0.00 0.00 6.47 7.94 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 70 D 8.24 4.74 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 6.90 3.93 1.38 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 -0.05 0.00 0.00 0.91 0.00 0.00 72 S 8.93 4.68 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 C 9.17 3.84 0.00 1.75 1.45 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 0.00 0.00 0.00 0.00 74 Y 7.99 4.29 0.00 3.35 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 75 Q 8.31 3.78 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 76 T 7.79 3.72 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 1.07 0.00 0.00 77 I 7.56 3.52 1.58 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 -0.07 0.00 0.00 78 K 7.88 3.64 0.00 1.16 1.59 0.00 1.38 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.26 7.81 79 K 7.87 3.81 0.00 1.84 1.84 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.60 7.81 80 A 7.51 3.94 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 81 R 7.96 4.00 0.00 1.86 1.99 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 82 E 8.10 4.25 0.00 1.90 1.97 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 2.28 2.47 0.00 83 E 8.40 4.46 0.00 1.96 1.78 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 2.24 2.35 0.00 *85 E 8.52 4.12 0.00 1.95 1.91 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 2.18 2.25 0.00 86 E 8.72 4.18 0.00 1.93 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 2.39 2.30 0.00 87 H 8.19 5.11 0.00 3.10 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.54 4.36 1.83 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 1.02 0.42 0.75 0.00 0.00 89 Q 8.19 4.34 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.