NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3165 8.1727 120.0828 56.2084 34.0875 174.0766 3 L 4.6748 8.3995 126.4820 54.0980 43.1435 173.7505 4 A 4.5471 8.6840 125.6355 51.1002 23.9849 174.3765 5 V 4.5893 8.0598 118.9510 60.8936 34.4682 174.9931 6 V 4.3196 8.3662 127.5544 62.9946 32.1082 176.4052 7 T 4.4682 8.7341 116.2224 60.7510 70.1689 174.0175 8 G 3.9798 7.1053 108.5530 46.1729 0.0000 171.1990 9 Q 4.8132 8.3857 115.7721 54.8176 31.7670 174.2255 10 I 4.6207 9.2574 121.8726 59.5089 40.5469 175.3411 11 V 4.2243 8.4369 125.0615 61.6076 33.2161 175.0276 12 C 4.6586 8.5875 126.7473 58.0887 28.4932 174.3504 13 T 3.8342 8.4287 121.0366 66.3040 68.2991 175.6696 14 V 3.9511 7.5727 125.1770 61.7826 31.0713 174.8922 15 R 4.6992 8.0035 122.4881 54.0346 32.8966 174.1841 16 H 4.0939 8.5957 117.9719 56.2235 30.4000 175.4310 17 H 4.1281 8.6946 124.1526 59.3279 28.6497 176.9332 18 G 4.3913 8.3428 103.4907 46.0376 0.0000 173.7291 19 L 4.3309 8.5364 120.6952 53.8760 43.5556 177.6837 20 A 3.5904 7.3062 120.3549 53.8952 17.6490 178.0535 21 H 5.0688 8.5653 110.1439 57.8586 29.6201 173.1234 22 D 4.7311 7.5887 117.3018 53.2529 42.3970 176.8122 23 K 4.2162 8.3508 122.7506 56.4528 33.9507 175.7441 24 L 4.5472 8.4901 125.9576 53.2904 43.0367 174.5536 25 L 5.1435 8.6036 131.6857 53.7330 44.2952 176.6589 *27 V 4.2299 8.2307 116.7914 62.4064 33.4073 174.0844 28 E 5.0863 8.6953 124.7312 54.1909 33.0718 174.6487 *30 I 4.1192 8.3919 111.6804 60.4886 38.8235 174.8283 31 D 4.6479 8.1007 121.0647 51.3312 40.4997 175.6937 32 P 4.3378 0.0000 0.0000 64.9085 31.0488 176.8353 33 Q 4.3687 8.1786 116.8020 56.2847 29.3707 176.4149 34 G 3.4678 8.8330 107.2324 44.9696 0.0000 172.7981 35 N 4.6264 9.5300 119.6920 50.9758 39.3412 173.2505 36 P 4.5535 0.0000 0.0000 62.9730 32.0436 175.9820 37 D 4.5482 8.5985 118.9722 54.2800 41.4944 177.5521 38 G 3.8789 8.2887 107.7603 44.9572 0.0000 173.2599 39 Q 4.3137 7.7608 119.6504 54.8399 29.4007 174.0335 40 C 5.1669 7.9916 122.7152 57.8811 34.5668 172.0588 41 A 4.4071 8.5656 123.8994 51.7091 22.4531 175.5088 42 V 4.7106 8.4036 118.5258 61.6953 33.5975 174.7305 43 A 4.9231 8.9394 127.0063 50.3414 23.4075 175.0715 44 I 4.4386 8.4870 121.0827 60.8879 38.5801 174.6182 45 D 4.9135 8.4758 127.4034 52.5396 42.0446 175.7273 46 N 5.1598 8.6453 126.2888 53.0569 39.6848 174.4262 47 I 4.5646 7.9731 107.1678 59.3764 40.1164 174.6234 48 G 3.7221 8.2119 108.9401 46.2381 0.0000 173.9095 49 A 4.1514 8.8177 122.0217 51.7386 19.3316 177.9253 50 G 4.2254 8.7151 108.9282 43.1282 0.0000 172.6497 51 T 4.0639 8.2624 114.4790 63.3611 67.5989 174.0036 52 G 4.1455 9.0536 117.8925 45.2035 0.0000 173.3069 53 E 4.5262 8.1148 120.2839 55.6657 30.7909 176.6279 54 W 4.6954 9.2020 124.5870 57.2497 30.8816 175.8772 55 V 5.0255 9.4246 116.6905 60.1557 36.2102 173.4162 56 L 5.2124 8.4034 119.5202 53.6537 44.6264 176.5438 57 L 5.2392 9.1839 124.6255 53.4311 44.2474 175.7678 58 V 4.7155 8.1811 119.1833 61.0062 35.5389 173.4147 59 S 5.1867 8.0891 114.1446 59.4832 65.5068 175.9246 60 G 3.8712 8.6799 106.6645 45.3087 0.0000 175.2593 61 S 4.0610 8.6244 112.6278 61.2254 63.1487 176.5717 62 S 4.2594 7.9816 114.1302 60.2732 62.4713 174.8328 63 A 4.1109 8.0466 122.8468 54.3322 18.5675 178.2186 64 R 4.5134 7.0689 115.1847 54.9030 28.8019 176.9017 65 Q 4.1246 7.7976 111.4464 57.2466 28.7420 178.4630 *71 T 4.2220 7.8609 116.3444 63.5426 70.4005 173.2259 72 S 4.8398 7.9360 116.2533 56.3183 62.6516 171.4293 73 P 4.5224 0.0000 0.0000 62.6251 31.4771 176.4346 74 V 3.6657 7.5677 118.8270 63.9117 32.1554 174.7041 75 D 4.8107 8.7141 123.5492 54.3689 44.6560 174.8920 76 L 5.2612 7.8211 119.7780 53.2043 45.5744 174.8672 77 C 5.3330 9.0085 126.0919 57.3696 34.9026 173.2051 78 V 4.2539 8.4968 127.2268 61.9716 31.1160 175.8958 79 I 4.2514 9.0998 119.0899 62.3770 39.4949 176.0903 80 G 4.1816 7.5122 105.9730 45.0577 0.0000 172.9309 81 I 4.5265 8.4125 123.0920 60.7999 38.2530 175.8246 82 V 3.9400 8.4710 127.0334 62.7530 31.4048 175.6474 83 D 4.6220 9.1105 128.7734 57.0953 41.8232 175.8410 84 E 5.0520 7.5592 112.4187 56.0422 32.1289 175.1758 85 V 4.7628 8.9446 119.9360 61.0861 35.2536 174.5072 86 V 4.4703 8.4241 125.3742 61.0060 33.4179 173.0025 87 S 4.4434 9.1743 119.1789 59.1718 65.6058 174.4900 88 G 3.8218 7.2633 108.9412 45.2702 0.0000 175.5265 89 G 4.0369 8.0906 104.9305 45.4907 0.0000 173.0435 90 Q 4.6334 7.4909 117.2515 53.7779 31.0999 175.0822 91 V 4.2187 8.2161 119.8255 62.8593 31.7253 175.6913 92 I 4.2467 8.4396 121.7192 62.1992 39.0552 176.0621 93 F 4.6266 7.9684 124.4793 56.4680 42.4891 172.9346 94 H 4.6257 7.5688 124.2458 54.0629 32.7079 172.8893 95 K 3.9908 7.5400 121.6913 56.5718 32.8423 176.5093 96 L 4.2279 7.2814 123.7513 55.5696 42.7455 175.7553 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 2 K 8.17 4.32 0.00 1.75 1.76 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.49 7.81 3 L 8.40 4.67 0.00 1.70 1.48 1.03 0.70 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 4 A 8.68 4.55 1.19 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 0.00 0.00 5 V 8.06 4.59 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 0.92 0.00 0.00 0.10 0.00 0.00 6 V 8.37 4.32 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 0.99 0.00 0.00 1.00 0.00 0.00 7 T 8.73 4.47 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 1.18 0.00 0.00 8 G 7.11 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 0.00 0.00 0.00 9 Q 8.39 4.81 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 10 I 9.26 4.62 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 1.11 0.68 0.91 0.00 0.00 11 V 8.44 4.22 2.09 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 0.82 0.00 0.00 0.94 0.00 0.00 12 C 8.59 4.66 0.00 2.97 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 13 T 8.43 3.83 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 1.22 0.00 0.00 14 V 7.57 3.95 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 0.81 0.00 0.00 0.93 0.00 0.00 15 R 8.00 4.70 0.00 1.89 1.84 0.00 3.10 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 16 H 8.60 4.09 0.00 3.15 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.69 4.13 0.00 3.18 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.34 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.54 4.33 0.00 1.82 1.71 0.93 0.69 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 20 A 7.31 3.59 1.06 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 0.00 0.00 21 H 8.57 5.07 0.00 3.12 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.59 4.73 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.22 0.00 1.85 1.67 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.48 7.81 24 L 8.49 4.55 0.00 1.86 1.59 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.60 5.14 0.00 1.78 1.45 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *27 V 8.23 4.23 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 0.70 0.00 0.00 0.97 0.00 0.00 28 E 8.70 5.09 0.00 1.95 1.56 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 2.10 2.15 0.00 *30 I 8.39 4.12 1.45 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.22 0.67 0.00 0.00 31 D 8.10 4.65 0.00 2.85 2.78 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 32 P 0.00 4.34 0.00 2.28 2.29 0.00 3.73 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 2.02 2.02 0.00 33 Q 8.18 4.37 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 34 G 8.83 3.47 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 0.00 0.00 0.00 0.00 35 N 9.53 4.63 0.00 2.85 2.71 0.00 0.00 6.76 7.91 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 36 P 0.00 4.55 0.00 2.19 1.96 0.00 3.69 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 1.93 1.93 0.00 37 D 8.60 4.55 0.00 2.60 2.70 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 38 G 8.29 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 39 Q 7.76 4.31 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 40 C 7.99 5.17 0.00 2.91 2.75 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 41 A 8.57 4.41 1.15 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 42 V 8.40 4.71 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 0.85 0.00 0.00 0.92 0.00 0.00 43 A 8.94 4.92 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 44 I 8.49 4.44 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 1.11 0.94 0.91 0.00 0.00 45 D 8.48 4.91 0.00 2.71 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 0.00 0.00 0.00 46 N 8.65 5.16 0.00 2.67 2.71 0.00 0.00 6.98 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 47 I 7.97 4.56 1.89 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 1.42 0.94 0.98 0.00 0.00 48 G 8.21 3.72 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 0.00 0.00 0.00 49 A 8.82 4.15 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 50 G 8.72 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 0.00 0.00 0.00 0.00 51 T 8.26 4.06 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 1.24 0.00 0.00 52 G 9.05 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 53 E 8.11 4.53 0.00 2.26 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 2.43 2.38 0.00 54 W 9.20 4.70 0.00 2.92 2.88 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 55 V 9.42 5.03 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 0.98 0.00 0.00 56 L 8.40 5.21 0.00 1.81 1.54 0.96 0.69 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 57 L 9.18 5.24 0.00 1.57 1.56 0.90 0.78 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 58 V 8.18 4.72 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 0.83 0.00 0.00 0.93 0.00 0.00 59 S 8.09 5.19 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.68 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 61 S 8.62 4.06 0.00 4.01 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 0.00 62 S 7.98 4.26 0.00 3.85 3.92 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 0.00 0.00 0.00 63 A 8.05 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.07 4.51 0.00 1.83 1.88 0.00 3.55 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 65 Q 7.80 4.12 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 *71 T 7.86 4.22 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 72 S 7.94 4.84 0.00 3.82 3.77 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 73 P 0.00 4.52 0.00 2.08 1.82 0.00 3.97 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 74 V 7.57 3.67 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 0.77 0.00 0.00 0.92 0.00 0.00 75 D 8.71 4.81 0.00 2.70 2.55 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 76 L 7.82 5.26 0.00 1.74 1.56 0.98 0.81 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 77 C 9.01 5.33 0.00 2.98 2.70 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 78 V 8.50 4.25 2.09 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 0.85 0.00 0.00 1.01 0.00 0.00 79 I 9.10 4.25 1.88 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 1.17 0.72 0.98 0.00 0.00 80 G 7.51 4.18 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 0.00 81 I 8.41 4.53 1.91 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 1.28 0.61 0.99 0.00 0.00 82 V 8.47 3.94 2.26 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 0.94 0.00 0.00 1.04 0.00 0.00 83 D 9.11 4.62 0.00 2.63 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 84 E 7.56 5.05 0.00 1.97 1.66 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 2.05 2.20 0.00 85 V 8.94 4.76 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 1.11 0.00 0.00 1.12 0.00 0.00 86 V 8.42 4.47 2.10 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 0.79 0.00 0.00 1.01 0.00 0.00 87 S 9.17 4.44 0.00 3.88 3.72 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 88 G 7.26 3.82 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 0.00 0.00 0.00 89 G 8.09 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 90 Q 7.49 4.63 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 91 V 8.22 4.22 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 0.91 0.00 0.00 0.92 0.00 0.00 92 I 8.44 4.25 1.97 0.00 0.00 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 1.37 0.90 1.01 0.00 0.00 93 F 7.97 4.63 0.00 2.55 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 94 H 7.57 4.63 0.00 2.83 2.91 0.00 5.96 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 95 K 7.54 3.99 0.00 1.75 1.60 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.41 7.81 96 L 7.28 4.23 0.00 1.61 1.44 0.89 0.79 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 * Residues marked with a * may have inaccurate shift predictions.