NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2794 8.3144 124.0420 55.1196 33.8568 174.2351 8 Q 4.0526 7.8760 124.8327 53.0946 30.8838 172.4388 9 Q 4.6270 7.5822 123.9458 55.6644 32.4887 172.7316 10 G 4.0856 7.6430 112.6909 45.5760 0.0000 171.5894 11 E 4.8575 8.8006 117.0907 56.0496 30.9051 175.9179 12 L 4.7027 8.9561 120.5967 53.5215 47.0263 174.8349 13 Y 5.1833 8.9870 118.6278 57.5298 39.9917 174.8401 14 M 5.2399 9.4023 121.2931 53.3798 36.5837 174.4110 15 W 4.3366 8.3770 132.5626 56.0878 31.6003 175.3746 16 D 4.3520 7.7366 129.1211 52.6449 41.1109 176.9862 17 S 3.7819 8.1888 120.0721 59.3691 62.7419 175.0034 18 I 3.9202 6.8843 121.9480 63.7378 37.6357 176.4614 19 D 4.3284 7.7306 120.0794 54.8188 41.1985 176.2484 20 Q 2.5708 7.1299 120.2808 56.8985 27.1243 173.9073 21 K 4.8421 6.2785 117.6304 53.3583 37.0077 177.8749 22 W 5.4013 8.9947 120.3981 56.8847 30.3083 176.0708 23 T 4.9610 9.2716 113.6022 60.0131 72.1560 172.8826 24 R 4.8542 8.6100 122.0937 55.7864 31.8164 175.1196 25 H 5.2855 9.4531 121.1182 53.8709 33.4235 172.3248 26 F 4.9184 9.0995 124.6846 57.7993 40.6842 174.3075 27 C 5.9979 8.6820 122.5398 57.2892 32.2949 172.8156 28 A 4.9879 8.2846 121.6418 50.6919 22.9438 175.2790 29 I 5.0012 8.3254 120.2868 59.5319 39.6305 175.3640 30 A 4.7356 8.5211 129.8421 51.4379 22.9357 174.9962 31 D 4.3187 8.5460 121.5098 55.8569 40.2836 174.5872 32 A 4.9073 8.8532 130.4048 53.1720 20.0730 175.7388 33 K 5.1323 8.5774 122.4524 54.8114 36.0115 177.4305 34 L 5.2842 9.0877 127.0757 52.6524 44.3278 175.0915 35 S 5.5942 9.2346 121.8232 56.6063 65.9363 173.1132 36 F 5.5495 8.7099 116.9474 55.4576 41.2144 174.8388 37 S 4.7161 8.7722 117.5474 57.3867 65.2002 173.1045 38 D 4.7265 8.3148 119.9069 53.4326 42.1612 175.6661 39 D 4.4540 8.7906 119.5283 54.8208 41.6573 177.0250 40 I 4.0845 8.7072 119.4074 62.0058 38.0326 176.7013 41 E 4.2893 8.7299 121.9295 58.7358 30.0934 178.0170 42 Q 4.4801 7.9912 115.3565 56.7329 28.2088 178.3444 43 T 4.2179 7.6905 111.5878 62.4959 67.7245 175.5223 44 M 4.5066 7.7805 125.0426 55.2021 31.9931 176.7957 45 E 4.8270 8.4256 122.4533 55.5764 37.4300 173.2942 *49 P 4.6440 0.0000 0.0000 62.1553 34.7655 177.7192 50 L 4.7186 7.3604 112.8873 52.5799 40.9201 180.4718 51 G 4.1150 9.2816 109.2497 46.3087 0.0000 172.8252 52 S 4.6165 8.3018 117.4283 56.8553 63.8314 173.9139 53 L 4.4337 8.2516 126.4978 55.0026 42.5778 177.0938 54 C 4.6634 7.8044 117.5391 59.1798 32.4037 175.4984 55 R 4.1764 7.8147 120.5624 58.8235 30.0370 179.8759 56 G 3.8219 6.8807 101.2276 46.1749 0.0000 172.7848 57 I 5.3854 8.3586 121.6264 59.3637 41.0924 174.5452 58 L 4.9196 9.2839 126.8342 53.0461 44.8279 175.3820 59 D 5.0527 8.9225 123.4725 52.9883 41.2230 176.6628 60 L 4.4161 9.0698 128.1240 57.6889 41.9827 179.8556 61 N 4.3576 8.5260 115.8694 56.0408 38.6620 175.9127 62 T 4.1811 8.4085 107.3290 62.2088 69.5398 173.5131 63 Y 5.2132 7.8051 119.3969 56.4452 41.2278 174.3846 64 N 5.2697 9.4956 116.8602 51.8105 43.3997 174.1258 65 V 4.9969 8.4234 114.0654 59.8822 33.4857 175.4360 66 V 4.7234 9.0781 127.9735 61.7516 34.5238 175.0993 67 K 5.0265 8.8221 128.0042 53.7901 34.2468 176.8234 68 A 4.5035 8.2715 124.3919 49.8167 19.6312 175.6239 69 P 4.1669 0.0000 0.0000 66.6316 31.5090 178.5907 70 Q 3.9731 7.9113 112.9321 56.9250 29.0380 176.9436 71 G 3.7155 9.5086 107.2437 45.3931 0.0000 172.2644 72 K 4.2302 8.3689 116.1072 56.8067 35.6849 175.8831 73 N 4.0486 9.4972 121.4221 54.6046 35.9183 174.8619 74 Q 3.6566 8.1107 111.3631 56.1886 27.0441 173.7265 75 K 4.2906 7.8100 118.3657 54.4568 34.0027 177.7484 76 S 3.6957 8.1914 119.6302 60.3468 63.1796 173.9760 77 F 4.9940 7.5126 118.6239 55.7743 41.5055 174.8335 78 V 5.1084 8.3981 116.3992 59.4376 36.3175 174.6208 79 F 5.4210 8.5812 117.6057 55.2680 41.6804 173.9062 80 I 4.9425 9.1377 120.2398 59.7178 41.1043 174.8158 81 L 5.1689 8.9919 127.7215 53.6106 42.2966 174.8283 82 E 5.1060 9.0027 123.0376 54.0930 31.7769 174.2990 83 P 4.7079 0.0000 0.0000 62.8925 32.0866 177.4188 84 K 4.0655 8.8092 126.3253 57.4182 31.9546 179.3312 85 Q 4.6678 7.4572 120.3242 54.0037 29.9511 176.1420 86 Q 4.7410 8.3839 125.5936 54.3742 32.8871 171.2901 87 G 4.1741 8.0706 101.4858 44.7911 0.0000 171.9790 88 D 4.4712 8.1795 119.2624 54.1400 41.3135 174.0891 89 P 4.8190 0.0000 0.0000 60.8420 32.8985 174.1386 90 P 4.7803 0.0000 0.0000 62.5302 32.4462 175.8380 91 V 4.0610 8.3466 123.4135 61.2689 33.7715 174.1810 92 E 4.6881 8.3459 127.0031 54.7657 31.6802 175.1367 93 F 5.3174 8.1909 123.1719 56.0996 42.2239 174.6909 94 A 4.8622 8.4421 120.4778 51.2403 22.7194 175.3651 95 T 4.9887 8.4595 109.6867 60.1537 71.9989 174.3830 96 D 4.6200 9.1211 120.9554 57.0498 41.1726 177.1318 97 K 4.5359 7.8911 118.5248 54.6216 34.1570 178.0867 98 V 2.5123 7.5753 122.6622 64.5077 30.7602 178.3997 99 E 3.9303 7.8680 116.8464 59.2490 29.5140 178.6160 100 E 4.2184 7.9383 119.2050 59.1377 29.7512 178.7189 101 L 4.0504 8.1290 119.8950 58.6932 41.8675 178.8305 102 F 4.1627 8.1767 119.9359 61.1860 39.0336 176.7872 103 E 3.9178 8.7178 119.1636 58.5732 29.2740 178.0824 104 W 3.9175 8.1369 118.7531 58.4698 29.5659 178.0606 105 F 3.4738 7.8957 119.9076 61.4538 38.9490 177.4727 106 Q 3.8174 7.6065 117.0915 59.2478 28.2824 179.1298 107 S 3.9838 6.9928 114.3680 62.0223 63.3716 176.9075 108 I 3.7854 7.6927 122.1822 64.2839 36.7408 178.5204 109 R 4.0145 8.0279 122.1256 59.5025 29.5748 178.6789 110 E 4.5348 8.1246 114.4072 58.8288 29.3523 180.6248 111 I 4.7389 7.8776 119.8680 62.9011 40.6786 176.7719 112 T 4.2043 7.9754 109.0474 63.2481 69.8843 175.7876 113 W 4.4758 7.7821 132.7804 55.2067 29.3185 175.5203 114 K 4.0913 7.5962 123.4483 56.6875 31.5719 176.0947 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 7 K 8.31 4.28 0.00 1.56 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 8 Q 7.88 4.05 0.00 1.88 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.00 9 Q 7.58 4.63 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 10 G 7.64 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.80 4.86 0.00 2.03 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 2.24 2.22 0.00 12 L 8.96 4.70 0.00 1.39 1.41 -0.45 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.99 5.18 0.00 2.89 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 14 M 9.40 5.24 0.00 1.58 1.60 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 1.88 0.00 15 W 8.38 4.34 0.00 2.16 2.57 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 16 D 7.74 4.35 0.00 2.64 2.23 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 17 S 8.19 3.78 0.00 3.90 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 18 I 6.88 3.92 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.38 0.81 0.00 0.00 19 D 7.73 4.33 0.00 2.47 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 20 Q 7.13 2.57 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 21 K 6.28 4.84 0.00 1.38 1.59 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.03 7.81 22 W 8.99 5.40 0.00 3.22 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 23 T 9.27 4.96 4.37 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 1.35 0.00 0.00 24 R 8.61 4.85 0.00 1.83 1.87 0.00 3.15 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.67 0.00 25 H 9.45 5.29 0.00 3.18 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.10 4.92 0.00 3.26 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 27 C 8.68 6.00 0.00 2.89 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 28 A 8.28 4.99 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 29 I 8.33 5.00 1.75 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 1.22 0.80 0.88 0.00 0.00 30 A 8.52 4.74 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 31 D 8.55 4.32 0.00 2.83 1.75 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 32 A 8.85 4.91 1.26 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 0.00 0.00 0.00 33 K 8.58 5.13 0.00 1.40 1.63 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 34 L 9.09 5.28 0.00 1.76 1.65 0.72 1.12 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 35 S 9.23 5.59 0.00 3.95 4.01 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 36 F 8.71 5.55 0.00 3.30 3.23 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 37 S 8.77 4.72 0.00 4.20 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 0.00 38 D 8.31 4.73 0.00 2.65 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 39 D 8.79 4.45 0.00 2.70 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 40 I 8.71 4.08 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 1.07 0.00 0.00 41 E 8.73 4.29 0.00 2.33 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 2.32 2.31 0.00 42 Q 7.99 4.48 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.16 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 43 T 7.69 4.22 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 1.26 0.00 0.00 44 M 7.78 4.51 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 45 E 8.43 4.83 0.00 1.92 1.80 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 2.07 1.83 0.00 *49 P 0.00 4.64 0.00 2.06 2.18 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.08 0.00 50 L 7.36 4.72 0.00 1.60 0.63 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.28 4.11 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 0.00 0.00 0.00 52 S 8.30 4.62 0.00 3.80 3.84 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 53 L 8.25 4.43 0.00 1.62 1.63 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.80 4.66 0.00 3.00 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 55 R 7.81 4.18 0.00 1.60 1.83 0.00 3.36 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 56 G 6.88 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 57 I 8.36 5.39 1.92 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 1.38 0.70 0.99 0.00 0.00 58 L 9.28 4.92 0.00 1.80 1.70 0.94 0.86 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 59 D 8.92 5.05 0.00 2.81 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 60 L 9.07 4.42 0.00 1.89 1.80 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.53 4.36 0.00 2.96 2.91 0.00 0.00 6.98 7.15 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 62 T 8.41 4.18 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 1.22 0.00 0.00 63 Y 7.81 5.21 0.00 2.90 2.93 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 64 N 9.50 5.27 0.00 2.82 2.75 0.00 0.00 7.29 7.40 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 65 V 8.42 5.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.66 0.00 0.00 66 V 9.08 4.72 2.21 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 1.10 0.00 0.00 1.12 0.00 0.00 67 K 8.82 5.03 0.00 1.57 1.56 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 0.99 7.81 68 A 8.27 4.50 1.24 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 0.00 0.00 69 P 0.00 4.17 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 Q 7.91 3.97 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 71 G 9.51 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 72 K 8.37 4.23 0.00 1.74 1.57 0.00 1.62 0.00 0.00 1.24 0.00 0.00 3.02 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.10 1.26 7.81 73 N 9.50 4.05 0.00 2.25 2.12 0.00 0.00 7.06 7.69 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 74 Q 8.11 3.66 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 75 K 7.81 4.29 0.00 1.39 1.05 0.00 1.01 0.00 0.00 1.21 0.00 0.00 2.51 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 S 8.19 3.70 0.00 2.89 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 77 F 7.51 4.99 0.00 2.94 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 78 V 8.40 5.11 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 0.73 0.00 0.00 0.97 0.00 0.00 79 F 8.58 5.42 0.00 3.25 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 80 I 9.14 4.94 1.97 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 1.23 0.76 0.95 0.00 0.00 81 L 8.99 5.17 0.00 1.66 1.22 1.25 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.00 5.11 0.00 2.14 2.15 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 2.32 2.36 0.00 83 P 0.00 4.71 0.00 2.02 1.70 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 84 K 8.81 4.07 0.00 1.78 1.71 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 85 Q 7.46 4.67 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.96 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 86 Q 8.38 4.74 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.05 1.78 0.00 87 G 8.07 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.18 4.47 0.00 2.67 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 89 P 0.00 4.82 0.00 2.05 1.98 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 90 P 0.00 4.78 0.00 1.94 2.02 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 91 V 8.35 4.06 1.75 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 0.21 0.00 0.00 0.76 0.00 0.00 92 E 8.35 4.69 0.00 1.87 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 2.24 2.24 0.00 93 F 8.19 5.32 0.00 1.51 2.15 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 94 A 8.44 4.86 0.53 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 95 T 8.46 4.99 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 1.25 0.00 0.00 96 D 9.12 4.62 0.00 2.81 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 97 K 7.89 4.54 0.00 1.96 1.63 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.44 7.81 98 V 7.58 2.51 0.92 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 0.58 0.00 0.00 0.71 0.00 0.00 99 E 7.87 3.93 0.00 2.14 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 2.24 2.34 0.00 100 E 7.94 4.22 0.00 2.29 2.30 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 2.46 2.39 0.00 101 L 8.13 4.05 0.00 1.85 1.92 1.19 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.18 4.16 0.00 3.18 3.18 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 0.00 103 E 8.72 3.92 0.00 2.30 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 2.17 2.36 0.00 104 W 8.14 3.92 0.00 3.15 2.69 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 0.00 105 F 7.90 3.47 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 0.00 106 Q 7.61 3.82 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.50 0.00 0.00 0.00 0.00 0.00 1.58 1.99 0.00 107 S 6.99 3.98 0.00 3.64 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 0.00 108 I 7.69 3.79 1.58 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 1.40 1.17 0.86 0.00 0.00 109 R 8.03 4.01 0.00 1.49 1.75 0.00 2.89 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 110 E 8.12 4.53 0.00 2.08 1.81 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 2.26 2.22 0.00 111 I 7.88 4.74 1.99 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 1.34 1.04 0.92 0.00 0.00 112 T 7.98 4.20 4.33 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 1.33 0.00 0.00 113 W 7.78 4.48 0.00 3.36 3.17 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 0.00 0.00 0.00 0.00 114 K 7.60 4.09 0.00 1.69 1.59 0.00 1.98 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.