NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 R 4.2790 8.1127 117.2813 56.5405 30.2076 175.1191 25 V 3.4513 7.6934 126.2687 65.7406 32.3409 176.6430 26 R 4.1137 8.2951 118.1678 58.0114 31.1244 177.3554 27 A 4.1247 8.0782 120.8125 54.4069 18.7390 177.8498 28 E 4.3079 7.3209 112.9054 55.7833 30.2535 175.3833 29 L 4.1313 8.4087 121.1132 55.6665 41.8138 176.0866 30 L 4.4057 8.3315 125.9627 55.4923 42.8658 177.2294 31 T 4.2251 7.7415 114.7188 63.9193 69.9914 173.9996 32 C 4.2366 8.7080 120.0950 60.1150 25.7910 173.3156 33 P 4.2917 0.0000 0.0000 64.9112 31.4180 177.4462 34 E 4.4976 7.8852 115.7526 55.1617 30.1703 175.2548 35 L 3.7621 7.5524 119.8108 55.6140 42.5505 176.5582 36 N 4.4175 8.5356 123.8733 53.9964 37.6444 175.0680 37 T 4.2926 8.0825 114.4977 62.2686 69.3571 176.7631 38 S 4.3199 7.9712 118.0443 60.3423 63.0515 174.6897 39 L 4.6280 8.0134 117.8595 54.2464 43.8128 176.7871 40 A 4.5694 8.2530 118.9447 51.2244 20.0958 175.9250 41 G 4.3605 8.4350 102.6018 44.6660 0.0000 172.3800 42 T 4.9142 8.3556 113.8291 61.5402 71.5375 173.7466 43 I 4.3118 8.3111 126.5635 61.4085 37.3850 175.7836 44 I 4.5097 8.4698 125.5633 61.3414 39.8200 175.4043 45 E 4.7821 7.7540 120.0620 55.3542 32.6953 173.8596 46 I 5.0054 8.1358 124.8952 60.2041 41.6989 172.7823 47 D 4.4328 8.9586 125.1790 53.0156 44.6035 174.5108 48 K 3.9579 8.7161 122.3221 58.0981 32.1768 175.6094 49 N 4.4134 9.2678 121.4244 53.9677 36.4356 172.5092 50 Y 5.3088 7.9768 118.3394 56.5072 42.7416 173.5536 51 A 4.5834 7.2613 124.4600 50.5919 23.3890 175.0395 52 K 4.8920 8.7534 121.4079 54.6234 35.8662 175.2782 53 S 5.1971 9.1127 120.4726 56.8019 67.4360 172.4458 54 I 5.0589 8.5398 113.0106 58.9876 41.0057 174.0252 55 L 4.8890 9.1651 127.1931 53.4353 44.2854 175.1999 56 I 4.6453 8.3698 128.4681 60.2079 37.7185 176.0871 57 T 4.1337 8.3081 118.7139 61.9297 69.2075 173.8823 58 T 4.6953 8.0794 113.5785 59.2952 71.9781 174.0994 59 S 4.2472 8.4652 115.6661 60.5780 63.0414 174.5965 60 E 4.1332 7.3051 120.7493 56.6816 29.0583 177.0684 *62 V 4.0792 7.6529 110.1595 61.4526 32.8455 175.7386 63 A 4.3910 9.2666 126.0042 53.5021 19.8673 176.5046 64 D 4.6975 7.5141 113.7229 52.5191 42.2842 174.9502 65 D 4.6574 8.6132 116.7673 53.8374 39.1893 176.7592 66 Q 4.3728 8.9398 117.6669 56.0300 29.7083 176.5888 67 G 3.9260 7.9331 106.8030 44.6743 0.0000 172.8264 68 L 4.3838 7.9096 122.7906 55.0407 43.2231 175.5805 69 I 4.5447 8.1423 127.5101 59.9026 38.5903 175.6429 70 F 4.3793 9.1671 129.4721 58.8451 39.8791 175.8293 71 D 4.3378 8.4235 125.4604 57.1040 40.4697 178.5985 72 A 3.9604 7.0427 120.8886 54.8843 18.3140 179.4006 73 F 3.7245 8.1586 116.1303 60.3551 38.8726 177.6904 74 I 3.7584 7.8515 118.6957 63.6316 37.6934 177.4822 75 F 3.8710 8.3898 120.9576 61.2087 39.1602 176.4114 76 A 4.0878 8.8382 121.0335 55.4386 18.0660 179.4407 77 A 4.5761 8.2641 119.9305 54.9107 18.4603 179.7592 78 A 3.7676 7.8565 119.3477 54.9073 18.4361 179.1552 79 N 3.9137 8.3755 116.7571 56.9984 38.9773 176.4405 80 Y 4.2865 8.1429 120.9929 60.8769 39.1175 178.3521 81 V 3.3434 7.9783 119.9664 64.3942 30.9850 178.2178 82 A 3.9075 8.0236 121.5895 55.2055 18.1852 179.6852 83 Q 3.7073 8.0286 116.0958 58.9076 28.5059 178.8092 84 A 3.9373 7.6785 121.4496 54.8148 18.3925 179.5184 85 S 4.2820 7.6746 111.9448 60.6591 63.1388 175.7601 86 I 4.0525 7.1048 115.1828 59.9289 38.8929 174.9628 87 N 4.0740 8.2768 117.5879 54.3243 37.5905 173.6603 88 K 4.4918 7.6721 114.8480 54.4617 34.3118 176.9653 89 E 3.8426 8.5800 122.9280 58.3965 29.8220 176.4310 90 F 5.0559 7.6391 118.4583 55.7967 41.0771 174.5456 91 S 5.1747 8.4492 116.8751 57.1973 66.3391 173.2166 92 V 4.7166 8.7523 113.1695 60.3561 36.6691 173.7379 93 I 4.9433 8.3061 122.3502 60.0795 38.3036 176.1927 94 I 4.4265 8.3724 118.0500 60.2690 38.9759 175.3994 95 G 4.2836 7.6190 106.2561 46.1585 0.0000 172.5649 96 S 5.2876 8.5810 114.7609 56.8151 66.4562 173.6647 97 K 4.3768 9.1123 122.1051 55.1579 34.5997 174.5939 98 C 4.9082 8.5055 124.3701 57.6890 31.8484 173.5061 99 F 4.6523 8.5995 120.6240 55.6738 41.4683 174.4941 100 F 4.9094 8.8694 122.8076 56.1031 38.9738 175.2507 101 Y 4.3700 8.5286 122.4540 60.3364 38.2777 176.4971 102 A 4.7395 7.7314 120.2344 49.9953 22.1338 173.8968 103 P 4.6677 0.0000 0.0000 62.5835 32.7020 176.2949 104 L 4.4035 8.5910 121.0835 54.7294 43.2514 175.6299 105 K 5.0278 8.9800 122.2393 54.0435 35.5087 175.3116 106 L 4.0685 8.6000 128.4777 56.6113 42.3037 176.9704 107 G 4.1301 8.8106 114.4147 45.5861 0.0000 173.8610 108 D 4.7134 8.4470 120.5595 54.1894 42.1552 175.6878 109 V 4.8057 8.2669 121.4686 59.8890 33.6694 174.5925 110 L 4.6322 9.0570 128.1383 53.9949 43.8453 174.5222 111 E 5.0327 9.4855 127.8347 54.6653 31.5264 174.2524 112 L 5.3890 8.9014 127.3830 53.0689 44.8048 175.3877 113 E 5.0891 9.2126 121.6403 54.4287 33.5023 174.7505 114 A 5.2591 8.7016 124.6890 50.4335 22.6177 174.5811 115 H 5.3943 9.3101 118.9777 53.8891 32.1353 172.7390 116 A 4.8661 8.8614 126.1551 50.9516 19.6555 176.9576 117 L 4.2521 8.7323 123.5452 54.0169 42.5083 177.2151 118 F 3.8580 9.0314 125.4366 58.6774 39.7203 173.8888 119 D 4.3290 6.9291 122.5172 54.1109 43.6040 175.2070 120 E 4.4346 8.7901 125.2651 56.6447 31.7835 176.7662 121 T 4.3012 7.5042 105.7681 61.7375 69.2926 174.4989 122 S 4.6547 7.4865 115.8850 56.5682 65.6679 173.8106 123 K 4.1740 8.6370 125.6698 58.5039 33.1833 176.3920 124 K 4.9075 7.7384 121.4896 55.3009 33.2569 176.3194 125 R 4.7405 9.1000 125.8439 54.5560 34.5930 173.7148 126 D 5.3029 8.6648 122.3741 52.8868 43.2041 175.3420 127 V 4.7652 8.8070 123.5291 60.9899 34.5549 174.2756 128 K 4.7709 9.2863 128.1658 55.5479 33.4251 175.7461 129 V 5.0498 9.2594 126.2120 60.9897 34.3770 174.7168 130 V 4.9659 8.9430 126.1357 59.9121 34.7158 174.5251 131 G 4.6159 9.5057 110.6140 44.8821 0.0000 171.8144 132 H 5.4032 9.5307 120.0172 53.6922 33.3808 172.8815 133 V 4.5775 8.5879 121.3302 60.6453 33.6028 176.4521 134 K 3.6145 8.9141 129.8876 58.0002 31.1217 176.1693 135 E 4.3764 9.0669 125.3457 57.0741 29.9074 175.2114 136 I 4.3311 7.8078 122.3672 59.5455 38.2935 175.5170 137 K 4.2188 8.3754 126.6317 56.1076 33.0452 175.4708 *139 F 4.6653 8.2327 124.4884 58.2100 40.9133 173.1576 140 E 4.7338 7.5367 124.9961 54.7135 33.4222 173.9993 141 G 4.1524 8.4869 110.6079 45.7976 0.0000 171.9928 142 T 5.1710 8.5379 118.3768 61.4786 71.2076 173.2660 143 I 4.9270 8.7736 126.6338 59.2557 41.5325 174.0852 144 Q 4.9992 9.1185 128.1539 54.8314 30.2136 174.8844 145 V 4.7903 8.5243 118.2626 59.7762 34.2013 175.6674 146 V 5.7061 8.9679 117.3415 58.6142 35.2136 174.7590 147 S 5.3114 8.6977 117.8176 56.8249 65.6599 173.1576 148 T 4.6575 8.3718 112.1574 60.0500 70.9200 174.1331 149 D 4.6179 8.6646 120.4189 56.0367 41.2827 176.4040 150 E 3.6887 7.3309 116.5354 53.6203 33.7467 174.1731 151 H 3.3924 6.5189 118.5876 56.7912 29.8877 176.2208 152 I 3.5058 8.2028 127.4714 62.5830 37.4298 175.5710 153 F 4.6781 8.0940 123.5460 58.1627 39.4842 174.9200 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 24 R 8.11 4.28 0.00 1.97 2.17 0.00 3.08 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 25 V 7.69 3.45 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 0.94 0.00 0.00 0.91 0.00 0.00 26 R 8.30 4.11 0.00 1.84 1.98 0.00 3.45 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 27 A 8.08 4.12 1.32 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 0.00 0.00 0.00 28 E 7.32 4.31 0.00 1.82 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 2.36 2.20 0.00 29 L 8.41 4.13 0.00 1.79 1.59 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.33 4.41 0.00 1.57 1.58 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.74 4.23 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 1.27 0.00 0.00 32 C 8.71 4.24 0.00 3.20 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 33 P 0.00 4.29 0.00 2.04 2.13 0.00 3.65 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 34 E 7.89 4.50 0.00 1.88 1.90 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 2.19 2.31 0.00 35 L 7.55 3.76 0.00 1.64 1.17 0.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.54 4.42 0.00 2.74 2.71 0.00 0.00 6.97 7.22 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 37 T 8.08 4.29 4.50 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 1.22 0.00 0.00 38 S 7.97 4.32 0.00 4.04 3.94 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 0.00 0.00 0.00 39 L 8.01 4.63 0.00 1.70 1.98 1.00 0.55 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 40 A 8.25 4.57 1.14 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 0.00 0.00 41 G 8.44 4.36 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 0.00 42 T 8.36 4.91 4.27 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 1.25 0.00 0.00 43 I 8.31 4.31 1.71 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.14 0.73 0.00 0.00 44 I 8.47 4.51 1.99 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 1.31 0.87 0.91 0.00 0.00 45 E 7.75 4.78 0.00 2.04 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 2.56 2.37 0.00 46 I 8.14 5.01 1.82 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 1.17 0.78 0.90 0.00 0.00 47 D 8.96 4.43 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.72 3.96 0.00 1.78 1.78 0.00 1.97 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 49 N 9.27 4.41 0.00 3.03 2.97 0.00 0.00 6.50 7.48 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 50 Y 7.98 5.31 0.00 2.96 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 51 A 7.26 4.58 0.97 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 0.00 0.00 0.00 0.00 0.00 52 K 8.75 4.89 0.00 1.61 1.52 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.36 7.81 53 S 9.11 5.20 0.00 3.90 3.70 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 54 I 8.54 5.06 1.88 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 1.12 0.86 0.92 0.00 0.00 55 L 9.17 4.89 0.00 1.73 1.57 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.37 4.65 1.87 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 1.41 0.69 0.90 0.00 0.00 57 T 8.31 4.13 4.22 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 1.27 0.00 0.00 58 T 8.08 4.70 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 1.23 0.00 0.00 59 S 8.47 4.25 0.00 3.97 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 60 E 7.31 4.13 0.00 1.87 1.86 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 2.31 2.28 0.00 *62 V 7.65 4.08 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 0.67 0.00 0.00 0.97 0.00 0.00 63 A 9.27 4.39 1.46 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 0.00 0.00 0.00 64 D 7.51 4.70 0.00 2.82 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 65 D 8.61 4.66 0.00 2.79 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 66 Q 8.94 4.37 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 67 G 7.93 3.93 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 0.00 0.00 0.00 68 L 7.91 4.38 0.00 1.83 1.74 0.97 1.06 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 69 I 8.14 4.54 2.04 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 1.27 0.99 1.03 0.00 0.00 70 F 9.17 4.38 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 71 D 8.42 4.34 0.00 2.02 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 0.00 0.00 0.00 72 A 7.04 3.96 1.07 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 0.00 0.00 0.00 0.00 0.00 73 F 8.16 3.72 0.00 3.37 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.76 1.87 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.37 1.07 0.00 0.00 75 F 8.39 3.87 0.00 3.28 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 76 A 8.84 4.09 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 0.00 0.00 77 A 8.26 4.58 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 78 A 7.86 3.77 1.07 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 0.00 0.00 0.00 0.00 0.00 79 N 8.38 3.91 0.00 2.40 2.90 0.00 0.00 6.82 7.44 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 80 Y 8.14 4.29 0.00 2.99 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 81 V 7.98 3.34 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 0.68 0.00 0.00 0.74 0.00 0.00 82 A 8.02 3.91 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 83 Q 8.03 3.71 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 84 A 7.68 3.94 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 85 S 7.67 4.28 0.00 4.01 3.99 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 0.00 0.00 0.00 86 I 7.10 4.05 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 0.88 0.00 0.00 87 N 8.28 4.07 0.00 2.96 2.85 0.00 0.00 7.16 6.26 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 88 K 7.67 4.49 0.00 1.75 1.67 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.33 7.81 89 E 8.58 3.84 0.00 1.53 1.16 0.00 0.00 0.00 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 1.84 0.00 90 F 7.64 5.06 0.00 3.10 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 91 S 8.45 5.17 0.00 3.82 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 92 V 8.75 4.72 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 0.69 0.00 0.00 0.94 0.00 0.00 93 I 8.31 4.94 1.93 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 1.43 0.42 1.05 0.00 0.00 94 I 8.37 4.43 1.89 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 1.25 0.69 0.93 0.00 0.00 95 G 7.62 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 0.00 0.00 0.00 0.00 96 S 8.58 5.29 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 4.38 0.00 1.70 1.52 0.00 1.40 0.00 0.00 1.14 0.00 0.00 2.45 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.45 7.81 98 C 8.51 4.91 0.00 2.82 2.40 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 99 F 8.60 4.65 0.00 2.29 1.85 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 0.00 100 F 8.87 4.91 0.00 2.88 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 0.00 101 Y 8.53 4.37 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 0.00 102 A 7.73 4.74 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 0.00 103 P 0.00 4.67 0.00 2.14 2.10 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 104 L 8.59 4.40 0.00 1.75 1.68 1.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.98 5.03 0.00 1.83 1.64 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 106 L 8.60 4.07 0.00 1.60 1.58 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.81 4.13 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 0.00 0.00 0.00 108 D 8.45 4.71 0.00 2.76 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 0.00 109 V 8.27 4.81 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 0.71 0.00 0.00 0.95 0.00 0.00 110 L 9.06 4.63 0.00 1.79 1.59 1.03 0.59 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 0.00 111 E 9.49 5.03 0.00 2.05 1.85 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 2.26 2.28 0.00 112 L 8.90 5.39 0.00 1.60 1.51 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.21 5.09 0.00 1.96 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 2.27 2.29 0.00 114 A 8.70 5.26 1.07 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 0.00 0.00 0.00 0.00 0.00 115 H 9.31 5.39 0.00 3.09 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.86 4.87 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 0.00 117 L 8.73 4.25 0.00 1.57 1.68 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 118 F 9.03 3.86 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 6.93 4.33 0.00 2.60 2.41 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 0.00 120 E 8.79 4.43 0.00 1.84 1.86 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 2.01 1.78 0.00 121 T 7.50 4.30 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 1.22 0.00 0.00 122 S 7.49 4.65 0.00 3.78 4.06 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 0.00 123 K 8.64 4.17 0.00 1.80 1.92 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.66 1.49 7.81 124 K 7.74 4.91 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 125 R 9.10 4.74 0.00 1.68 1.73 0.00 3.29 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 126 D 8.66 5.30 0.00 2.61 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 0.00 127 V 8.81 4.77 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 1.10 0.00 0.00 0.92 0.00 0.00 128 K 9.29 4.77 0.00 1.89 1.78 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.41 7.81 129 V 9.26 5.05 2.28 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 1.23 0.00 0.00 0.99 0.00 0.00 130 V 8.94 4.97 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 0.80 0.00 0.00 1.01 0.00 0.00 131 G 9.51 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 9.53 5.40 0.00 3.11 3.38 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.59 4.58 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 1.02 0.00 0.00 1.00 0.00 0.00 134 K 8.91 3.61 0.00 1.95 0.93 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.43 7.81 135 E 9.07 4.38 0.00 2.06 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 0.00 2.23 2.39 0.00 136 I 7.81 4.33 2.05 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 1.21 0.83 0.96 0.00 0.00 137 K 8.38 4.22 0.00 1.66 1.59 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.41 1.29 7.81 *139 F 8.23 4.67 0.00 3.25 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 0.00 140 E 7.54 4.73 0.00 2.32 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 2.20 2.28 0.00 141 G 8.49 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 0.00 142 T 8.54 5.17 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 1.22 0.00 0.00 143 I 8.77 4.93 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.72 0.86 0.00 0.00 144 Q 9.12 5.00 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 145 V 8.52 4.79 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 0.74 0.00 0.00 0.92 0.00 0.00 146 V 8.97 5.71 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 0.56 0.00 0.00 0.94 0.00 0.00 147 S 8.70 5.31 0.00 3.87 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 0.00 148 T 8.37 4.66 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 1.19 0.00 0.00 149 D 8.66 4.62 0.00 2.65 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 0.00 150 E 7.33 3.69 0.00 1.40 1.12 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 1.74 2.01 0.00 151 H 6.52 3.39 0.00 2.44 2.70 0.00 5.91 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.20 3.51 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.49 0.93 0.00 0.00 153 F 8.09 4.68 0.00 3.29 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 * Residues marked with a * may have inaccurate shift predictions.