NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4159 8.1933 115.2896 58.4977 64.4665 174.8978 *5 T 4.3040 7.7259 116.6596 64.2709 70.2953 176.0960 6 Q 3.9841 8.0894 119.7532 59.1607 28.7460 178.8138 7 S 4.1100 8.1117 114.0282 61.3696 62.4069 176.1893 8 L 4.0847 7.8561 121.2313 57.6017 41.4635 179.4251 9 R 3.9959 8.0800 118.2860 58.9139 29.8191 178.9988 10 E 3.9102 7.8958 118.6061 59.4123 29.3368 179.0653 11 V 3.5693 7.5094 116.7984 66.4629 31.5284 177.8481 12 I 3.8439 7.5420 117.8235 64.0650 37.4459 177.8883 13 K 4.0158 8.0946 120.3023 59.2239 32.5654 179.1384 14 A 4.4286 8.1259 123.5487 52.1334 17.3773 179.0906 *16 T 4.1950 7.9511 122.0015 64.3681 70.7990 176.3873 17 K 4.3453 7.2771 118.0959 54.3943 33.0326 180.7178 18 A 4.1515 7.6962 120.4432 53.3797 18.5611 177.5350 19 R 4.4505 8.3895 116.9100 55.9986 31.1111 176.4084 20 N 4.7570 7.7057 116.5285 52.1200 39.5438 174.8995 21 F 4.2365 8.8496 118.1416 61.5462 39.2929 177.0384 22 E 4.1014 9.3570 118.4503 58.1676 29.1710 178.9325 23 R 3.8809 7.7103 116.5887 59.1716 29.1150 178.7007 24 V 3.7347 7.2033 111.0989 62.6168 31.6341 176.4858 25 L 4.5684 7.6591 118.6296 54.1143 42.0545 178.2841 26 G 3.7938 7.9374 110.0854 48.3995 0.0000 175.0559 27 K 4.2667 7.8894 116.7751 56.8080 32.7317 177.1547 28 I 4.1522 7.5065 113.2801 60.8465 38.3612 175.3058 29 T 4.7293 8.5098 111.7890 59.7138 72.2094 172.4882 30 L 4.3582 8.4780 125.6190 55.3194 42.4690 175.9910 31 V 4.1925 9.0559 127.4985 64.5513 32.1760 175.7427 32 S 4.7908 7.6150 112.4797 57.2622 66.2884 172.3798 33 A 5.1755 8.4098 121.4680 50.4096 21.7801 175.2568 34 A 4.5498 9.3514 123.9483 49.6779 22.7072 173.6790 35 P 4.5573 0.0000 0.0000 64.3102 31.5777 176.9962 36 G 3.9656 9.3903 110.8082 45.7218 0.0000 172.2161 37 K 5.5593 8.2805 121.0847 54.1880 35.9715 175.1706 38 V 4.8852 8.3632 125.9987 61.2138 35.3637 173.6283 39 I 4.9994 8.9426 128.4063 59.8069 39.9728 174.4772 40 C 5.3170 9.2828 123.7944 58.2028 32.8246 172.7070 41 E 5.1984 8.6453 118.7378 53.5007 34.0781 174.1352 *43 K 4.3574 8.4683 120.3380 56.4117 33.2729 175.8460 44 V 3.8530 8.9688 128.7609 63.3108 32.5405 175.0570 45 E 4.9543 8.7532 126.2415 53.8145 33.0596 176.2621 46 E 3.8896 8.6733 119.8886 59.4358 29.5430 178.2810 47 E 4.1232 8.0118 114.6418 58.2089 30.1591 176.7623 48 H 4.8022 8.3046 116.8419 55.7594 29.3394 174.5152 49 T 5.4793 7.7164 109.7481 59.7514 70.8246 173.6552 50 N 5.2118 8.0268 118.5982 51.5248 39.4699 174.9705 51 A 3.9820 8.7511 119.2479 55.2470 18.6104 178.6077 52 I 4.1821 7.9993 107.0114 60.5861 37.7069 176.7335 53 G 3.8743 8.1660 108.8838 45.7964 0.0000 173.4976 54 T 4.6025 7.5115 109.9698 59.2268 72.0634 173.4674 55 L 4.4921 8.5836 124.5769 55.7811 42.6483 176.1142 56 H 4.1872 9.1888 126.9978 55.8515 30.4706 176.3430 57 G 3.7928 8.9170 112.7620 47.9853 0.0000 175.7610 58 G 3.7825 8.3941 107.4435 47.6092 0.0000 175.5592 59 L 4.0524 7.9222 122.2416 58.1017 42.1286 178.8714 60 T 3.8655 8.3076 115.7357 66.6118 68.4194 176.3178 61 A 4.0160 8.2246 122.5182 55.5879 18.4508 179.7866 62 T 3.9186 8.2213 114.4450 66.7299 68.5212 176.8603 63 L 3.9685 8.5621 121.4919 57.7107 41.5855 179.5184 64 V 3.5166 8.0470 118.4286 66.0737 31.2405 177.1467 65 D 4.1913 7.8501 116.2580 57.6543 41.3885 178.1131 66 N 4.5029 8.1583 116.3882 56.5955 38.4734 177.7756 67 I 3.7919 7.5958 119.6064 64.1223 37.2531 178.0981 68 S 4.3132 8.3403 114.5626 61.4657 62.1840 177.1401 69 T 4.1007 7.6304 116.8940 63.6626 68.3047 176.2268 *71 A 4.2834 8.0353 125.7924 52.2877 20.5547 180.0184 72 L 4.0735 7.5973 115.8455 57.8210 41.3377 179.7015 73 L 4.0649 7.9549 118.3040 57.1586 41.9102 177.4258 74 C 4.6468 7.9223 116.6975 59.7541 29.2626 172.9352 75 T 5.0669 7.2552 108.7264 59.3219 71.8843 173.6738 76 E 4.0872 8.8358 120.6309 59.6523 28.9369 179.0484 77 R 3.9122 8.1819 118.6321 57.4530 30.3386 177.0360 78 G 4.1594 7.9174 104.0985 45.4753 0.0000 172.6408 79 A 4.4790 7.2248 122.4677 49.8660 19.9579 176.9689 80 P 4.1862 0.0000 0.0000 64.8258 31.6867 178.1277 81 G 3.9839 8.0676 102.6577 44.7789 0.0000 172.0319 82 V 4.5038 8.1262 118.4383 60.5016 34.4719 175.1010 83 S 4.3329 8.7607 122.7315 59.3912 62.9256 172.7559 84 V 4.2295 8.8407 122.5359 64.2646 33.2718 174.8501 85 D 4.8960 7.4798 117.3280 52.6296 45.9720 172.9923 *87 N 4.8056 8.5304 114.9453 53.3807 38.8532 173.5128 88 I 4.9517 8.2560 122.0895 59.7183 40.9583 174.5914 89 T 4.4461 8.5366 123.5276 62.1081 70.3880 173.4872 90 Y 4.8558 8.4871 124.2349 56.5979 40.2103 175.2663 *92 S 4.3172 8.3221 115.2140 57.6542 64.6874 171.5522 93 P 4.7283 0.0000 0.0000 62.5586 32.4257 175.5907 94 A 4.6803 8.6207 126.6443 50.8166 21.1374 177.3724 95 K 4.4962 8.7511 123.7859 53.5765 32.9458 172.9287 96 L 4.2177 8.1775 119.9962 57.5135 42.3182 177.8186 97 G 4.0123 9.1377 113.2887 45.6129 0.0000 173.6542 98 E 4.2164 7.9029 121.1222 56.2863 31.2178 174.9606 99 D 5.3435 8.6307 124.4684 52.6461 43.1142 175.4515 100 I 5.0390 8.3424 115.9749 59.0082 41.4822 174.1777 101 V 4.6001 8.9793 123.3628 61.2368 34.3197 174.1817 102 I 4.8010 9.2034 129.5341 60.0898 39.3820 174.6118 103 T 4.9882 9.0021 124.9117 61.6394 71.0457 173.2173 104 A 5.2254 8.8153 128.6999 50.3728 21.8563 174.7076 105 H 5.3270 9.3137 119.4590 53.8380 32.4821 173.1729 106 V 4.1484 8.7651 124.1938 62.4194 31.1710 175.8040 107 L 4.2705 9.2062 129.9395 57.3161 42.3245 177.5087 108 K 4.5074 7.9284 116.8892 56.4259 35.4215 173.8838 109 Q 5.0595 8.8664 121.9431 55.0078 31.5678 174.1846 110 G 4.4384 8.7328 114.3923 44.4740 0.0000 172.9594 111 K 4.0559 8.8557 119.5745 57.6360 31.7822 173.1977 112 T 4.7051 7.8054 109.4591 61.0045 69.7758 173.2796 113 L 5.1856 7.9110 120.0133 53.3011 45.8102 175.1034 114 A 4.9537 8.7137 124.1077 49.9975 22.5119 174.8168 115 F 5.4603 9.3859 120.7583 55.8560 42.3364 174.6793 116 T 5.2463 9.0795 112.4232 60.0324 72.8944 172.5255 117 S 5.1211 9.1891 116.4055 56.6194 66.3006 172.8356 118 V 4.9838 9.1330 125.8251 61.4025 34.8060 173.4316 119 D 5.4051 9.2976 128.0428 52.5627 43.6349 175.0535 120 L 5.2167 8.7360 123.7472 53.4340 43.7306 175.7760 121 T 5.1016 8.8525 113.8190 59.4406 72.9725 172.6425 122 N 4.6461 9.1471 122.6917 53.4557 39.3282 175.3684 123 K 3.8585 9.1008 128.9950 59.9816 32.3137 178.1092 124 A 4.1344 8.3455 121.2300 55.4909 18.8925 178.5332 125 T 4.0881 8.3639 112.0021 63.8793 68.9865 177.1516 126 G 3.8936 8.8724 111.0017 45.7192 0.0000 174.4356 127 K 4.1572 7.4030 123.6987 54.7773 32.8327 181.2339 128 L 4.2496 8.5496 127.6383 54.9472 42.0340 176.3768 129 I 4.7881 9.3886 128.0175 62.6881 38.2394 175.7728 130 A 4.5614 7.3535 120.1171 51.3563 22.5525 174.8083 131 Q 4.8042 8.6738 120.0976 54.3225 32.6764 174.1986 132 G 4.4422 9.3342 113.2938 44.4108 0.0000 171.8986 133 R 5.2577 8.8004 121.2186 54.3374 33.2854 174.6877 134 H 5.1896 9.4130 122.9664 54.7537 33.5359 171.7990 135 T 4.8667 9.0063 122.4733 61.7389 70.8911 173.5490 136 K 4.9170 8.8106 125.6854 54.7157 36.2486 174.4762 137 H 5.1667 9.2940 123.7110 54.7093 31.6047 174.7711 138 L 4.2796 8.4004 125.4469 54.8314 41.2661 176.5786 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 3 S 8.19 4.42 0.00 3.87 3.90 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 *5 T 7.73 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 1.21 0.00 0.00 6 Q 8.09 3.98 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 7 S 8.11 4.11 0.00 3.90 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 8 L 7.86 4.08 0.00 1.77 1.69 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.08 4.00 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 10 E 7.90 3.91 0.00 2.16 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 2.33 2.47 0.00 11 V 7.51 3.57 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 0.83 0.00 0.00 0.99 0.00 0.00 12 I 7.54 3.84 1.99 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 1.40 0.87 0.91 0.00 0.00 13 K 8.09 4.02 0.00 1.97 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 A 8.13 4.43 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 *16 T 7.95 4.19 4.34 0.00 0.00 0.00 0.00 0.00 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 17 K 7.28 4.35 0.00 1.82 1.70 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 1.23 7.81 18 A 7.70 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 19 R 8.39 4.45 0.00 1.92 2.04 0.00 3.04 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 20 N 7.71 4.76 0.00 3.04 3.07 0.00 0.00 5.88 8.12 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 21 F 8.85 4.24 0.00 3.13 3.15 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 22 E 9.36 4.10 0.00 2.09 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 2.38 2.49 0.00 23 R 7.71 3.88 0.00 2.04 2.37 0.00 2.74 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 24 V 7.20 3.73 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 0.26 0.00 0.00 0.41 0.00 0.00 25 L 7.66 4.57 0.00 1.72 1.60 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.94 3.79 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 0.00 0.00 0.00 27 K 7.89 4.27 0.00 1.82 1.90 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.39 7.81 28 I 7.51 4.15 1.85 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 1.58 0.51 0.92 0.00 0.00 29 T 8.51 4.73 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 1.21 0.00 0.00 30 L 8.48 4.36 0.00 1.65 1.60 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.06 4.19 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 0.83 0.00 0.00 0.93 0.00 0.00 32 S 7.61 4.79 0.00 3.89 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 33 A 8.41 5.18 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 34 A 9.35 4.55 1.20 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 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.56 0.00 2.06 2.05 0.00 3.81 0.00 0.00 3.66 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 36 G 9.39 3.97 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 0.00 37 K 8.28 5.56 0.00 1.76 1.59 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.10 7.81 38 V 8.36 4.89 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 1.00 0.00 0.00 0.92 0.00 0.00 39 I 8.94 5.00 1.86 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 1.19 0.53 0.90 0.00 0.00 40 C 9.28 5.32 0.00 2.78 2.76 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 41 E 8.65 5.20 0.00 1.86 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 2.21 2.06 0.00 *43 K 8.47 4.36 0.00 1.91 1.79 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 44 V 8.97 3.85 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 0.86 0.00 0.00 1.00 0.00 0.00 45 E 8.75 4.95 0.00 1.86 1.74 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 2.26 2.42 0.00 46 E 8.67 3.89 0.00 2.02 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 2.37 2.36 0.00 47 E 8.01 4.12 0.00 2.04 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 1.99 1.96 0.00 48 H 8.30 4.80 0.00 3.35 3.31 0.00 5.62 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 49 T 7.72 5.48 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 1.32 0.00 0.00 50 N 8.03 5.21 0.00 2.90 2.93 0.00 0.00 5.80 7.02 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 51 A 8.75 3.98 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 52 I 8.00 4.18 1.86 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 1.27 0.73 0.89 0.00 0.00 53 G 8.17 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 54 T 7.51 4.60 4.34 0.00 0.00 0.00 0.00 0.00 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 55 L 8.58 4.49 0.00 1.66 1.67 1.02 0.96 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 56 H 9.19 4.19 0.00 3.36 3.20 0.00 5.85 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 57 G 8.92 3.79 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 0.00 0.00 0.00 58 G 8.39 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 59 L 7.92 4.05 0.00 1.82 1.87 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.31 3.87 4.69 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 1.26 0.00 0.00 61 A 8.22 4.02 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 62 T 8.22 3.92 4.46 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 1.31 0.00 0.00 63 L 8.56 3.97 0.00 1.88 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.05 3.52 2.19 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 1.01 0.00 0.00 0.96 0.00 0.00 65 D 7.85 4.19 0.00 2.66 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 66 N 8.16 4.50 0.00 2.93 2.85 0.00 0.00 7.13 6.83 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 67 I 7.60 3.79 1.96 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 1.40 0.56 0.90 0.00 0.00 68 S 8.34 4.31 0.00 4.07 4.10 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 0.00 0.00 0.00 0.00 69 T 7.63 4.10 4.46 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 1.22 0.00 0.00 *71 A 8.04 4.28 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 72 L 7.60 4.07 0.00 1.85 1.84 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.95 4.06 0.00 1.62 1.73 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.92 4.65 0.00 3.15 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 75 T 7.26 5.07 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 1.25 0.00 0.00 76 E 8.84 4.09 0.00 1.98 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 77 R 8.18 3.91 0.00 1.84 1.91 0.00 3.32 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 78 G 7.92 4.16 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 0.00 0.00 0.00 79 A 7.22 4.48 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 80 P 0.00 4.19 0.00 2.19 2.19 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 81 G 8.07 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 82 V 8.13 4.50 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 0.97 0.00 0.00 0.93 0.00 0.00 83 S 8.76 4.33 0.00 3.82 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 84 V 8.84 4.23 2.16 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 0.75 0.00 0.00 0.94 0.00 0.00 85 D 7.48 4.90 0.00 2.62 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 *87 N 8.53 4.81 0.00 2.86 3.01 0.00 0.00 5.73 7.85 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 88 I 8.26 4.95 1.56 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 0.60 0.23 0.00 0.00 89 T 8.54 4.45 4.16 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 1.20 0.00 0.00 90 Y 8.49 4.86 0.00 2.87 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 *92 S 8.32 4.32 0.00 3.94 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 93 P 0.00 4.73 0.00 1.97 2.02 0.00 3.65 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 2.03 2.10 0.00 94 A 8.62 4.68 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 95 K 8.75 4.50 0.00 1.73 1.70 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.24 7.81 96 L 8.18 4.22 0.00 1.60 1.61 0.97 1.14 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 97 G 9.14 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 0.00 0.00 0.00 98 E 7.90 4.22 0.00 2.15 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 2.31 2.30 0.00 99 D 8.63 5.34 0.00 2.63 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 0.00 100 I 8.34 5.04 1.88 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 1.23 1.07 0.92 0.00 0.00 101 V 8.98 4.60 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 1.10 0.00 0.00 0.93 0.00 0.00 102 I 9.20 4.80 1.86 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 1.22 0.46 0.90 0.00 0.00 103 T 9.00 4.99 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 1.15 0.00 0.00 104 A 8.82 5.23 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.31 5.33 0.00 3.02 3.17 0.00 5.61 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 0.00 106 V 8.77 4.15 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 0.78 0.00 0.00 1.01 0.00 0.00 107 L 9.21 4.27 0.00 1.75 1.74 0.96 0.79 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 0.00 108 K 7.93 4.51 0.00 1.88 1.65 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.70 7.81 109 Q 8.87 5.06 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 110 G 8.73 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 0.00 0.00 0.00 0.00 111 K 8.86 4.06 0.00 1.79 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 112 T 7.81 4.71 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 1.25 0.00 0.00 113 L 7.91 5.19 0.00 1.59 1.16 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.71 4.95 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 0.00 115 F 9.39 5.46 0.00 2.98 2.94 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 0.00 116 T 9.08 5.25 4.38 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 1.25 0.00 0.00 117 S 9.19 5.12 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 0.00 118 V 9.13 4.98 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 0.93 0.00 0.00 0.94 0.00 0.00 119 D 9.30 5.41 0.00 2.60 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.74 5.22 0.00 1.56 1.59 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.85 5.10 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 0.00 122 N 9.15 4.65 0.00 2.77 2.75 0.00 0.00 7.09 6.60 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 0.00 123 K 9.10 3.86 0.00 1.79 1.92 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 124 A 8.35 4.13 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 0.00 125 T 8.36 4.09 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 0.00 126 G 8.87 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 0.00 0.00 0.00 127 K 7.40 4.16 0.00 1.58 1.71 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.26 7.81 128 L 8.55 4.25 0.00 1.63 1.62 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 129 I 9.39 4.79 1.95 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 1.14 1.12 1.05 0.00 0.00 130 A 7.35 4.56 1.11 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 0.00 131 Q 8.67 4.80 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.67 0.00 132 G 9.33 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 0.00 0.00 0.00 0.00 133 R 8.80 5.26 0.00 1.91 1.86 0.00 3.29 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 134 H 9.41 5.19 0.00 3.16 3.12 0.00 5.74 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 0.00 135 T 9.01 4.87 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 1.01 0.00 0.00 136 K 8.81 4.92 0.00 1.46 1.55 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 1.01 7.81 137 H 9.29 5.17 0.00 3.12 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.40 4.28 0.00 1.46 1.48 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.