NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3134 8.2644 123.5925 51.5311 20.7850 176.6462 24 S 4.5662 7.8685 109.6486 55.9773 63.6369 172.0874 25 I 4.0893 8.4508 126.3165 62.2066 39.1340 175.4376 26 V 3.4243 7.6951 120.8298 62.2451 31.7601 175.8567 27 G 3.6346 7.6303 114.6053 45.4351 0.0000 169.8008 28 S 4.4950 7.2855 115.1993 56.6457 64.7993 173.5821 29 W 5.1675 8.9340 125.4924 55.0883 31.2273 175.6604 30 V 5.4688 9.4898 117.5904 59.8321 36.1793 174.0090 31 E 5.0671 9.2755 118.8525 54.0463 33.3275 173.1657 32 P 4.8101 0.0000 0.0000 62.6895 32.6103 176.3316 33 V 3.9474 8.5110 123.2384 61.4306 32.4695 173.8906 34 P 4.3320 0.0000 0.0000 64.3957 31.5162 177.0793 35 G 3.9082 8.9829 110.1093 45.6362 0.0000 173.4983 36 L 4.5385 7.7546 119.9992 51.8630 42.3941 174.7303 37 E 4.0270 8.5605 123.4652 57.7714 29.8719 177.4995 38 G 4.0396 8.9659 114.0879 45.4811 0.0000 173.2968 39 Q 4.5333 7.7014 118.6419 55.2900 30.4648 175.3912 40 V 5.1670 8.2366 113.9456 59.8243 35.7957 174.7003 41 Q 4.7308 9.6119 119.6827 54.2501 32.3942 175.3054 42 G 4.2932 7.5311 106.1758 46.4519 0.0000 171.2296 43 I 4.8930 7.8166 121.8905 59.6856 41.8158 175.3136 44 K 4.7798 8.6099 128.0142 54.0190 35.3907 174.3677 *46 E 4.5715 8.4051 118.6823 55.7768 31.2081 175.7544 47 E 4.2463 8.9232 120.5850 58.7292 29.9415 177.8297 48 G 3.8743 8.5357 110.9800 44.6548 0.0000 174.3711 49 G 3.3035 8.0115 107.1153 44.4910 0.0000 173.4899 50 V 4.3527 7.6287 119.7805 62.7711 32.1394 174.9591 51 A 5.4308 8.8081 129.0306 50.4301 21.9776 175.3272 52 S 5.1155 8.7437 113.3662 56.2027 66.9917 173.7355 53 S 4.7801 8.8827 117.2466 58.7427 63.9581 174.0438 54 V 4.0029 8.8667 123.9564 61.8648 32.9168 173.0693 55 N 4.5046 8.7770 126.9719 53.6728 35.0508 173.5251 *57 A 4.4579 8.0134 122.5701 52.3033 21.1525 178.6752 58 T 4.1152 7.9072 111.8868 65.8712 69.8219 174.7534 59 L 4.9975 7.9295 120.9962 53.0582 43.5212 176.6848 60 V 4.3197 8.9095 124.8720 61.0905 32.8115 174.1927 61 Y 4.3152 9.0121 126.1420 58.1689 38.8897 176.1730 62 E 4.6493 9.4487 120.8454 57.7856 33.1130 175.9144 63 S 5.3941 7.8504 111.5082 57.1778 66.4924 173.0627 64 W 5.8995 9.0330 117.3350 55.2071 31.3912 174.5275 65 K 4.3390 9.2614 119.2950 54.9138 36.5893 174.9310 66 Q 5.0632 8.7353 124.2640 54.4809 31.5721 174.4186 67 E 4.5783 9.2348 126.8434 55.1145 32.4198 177.4108 68 G 3.8907 8.4569 115.9798 47.1984 0.0000 173.4152 69 T 4.4476 8.6729 115.0935 60.8600 69.1675 173.2400 70 K 4.6646 8.2417 123.1842 55.7283 33.7893 175.2521 71 L 5.1395 8.5321 126.1075 53.3464 44.9558 174.6812 72 I 4.8467 9.3489 127.2238 59.6731 39.9642 174.3448 73 L 5.4828 9.3845 128.3051 53.1059 44.3395 175.6784 74 T 4.7615 8.5680 114.3817 60.3130 71.6770 174.1670 75 G 3.6059 7.2447 109.2308 46.0060 0.0000 171.8679 76 K 5.2601 8.3418 118.1892 55.5277 36.4515 175.2863 77 S 5.3605 9.3769 116.6788 56.8258 65.8799 172.8194 78 I 4.9737 8.6751 122.4629 58.9147 39.8075 175.5839 79 G 4.0659 9.2352 117.0307 46.5944 0.0000 172.1899 80 N 3.9307 9.5230 115.2852 54.1552 35.9736 175.2078 81 G 3.9233 8.7970 103.0516 46.2258 0.0000 173.7141 82 Q 4.6461 7.9436 117.5044 54.3997 33.1520 173.6576 83 T 5.1334 8.2293 114.5370 61.9925 72.2952 173.8419 84 I 4.6007 8.8269 125.8858 59.4291 40.4783 174.9494 85 E 4.7090 8.9429 127.0694 56.3352 30.4321 176.1741 86 F 5.0753 8.7564 117.2405 55.4237 42.1425 173.7439 87 V 4.8479 8.5133 119.0750 61.6851 34.1088 173.9246 88 D 5.1224 9.7663 128.9198 53.1164 42.8566 175.9723 89 T 5.3290 8.3559 118.8350 60.9807 71.9818 173.3287 *91 D 4.5262 8.3883 122.3647 54.4208 42.8326 174.5345 92 I 4.5221 8.7678 124.2954 60.5807 37.2944 175.8559 93 K 4.3461 8.9974 127.5219 57.8361 33.4107 177.3069 94 R 4.5752 7.5710 118.5417 55.0937 33.6791 173.9400 95 L 4.8183 8.3444 128.2142 54.4449 43.5778 174.3092 96 T 4.7491 9.0467 116.5793 59.5125 72.0922 174.4361 97 A 4.3455 8.7935 123.1361 54.7964 18.5365 178.0399 98 D 4.9676 7.8466 114.1197 54.5152 42.7601 175.9730 99 S 5.5159 8.4188 114.5721 56.8016 68.0868 172.9280 100 L 4.6303 8.7132 123.5940 53.3087 45.1111 175.0524 101 V 4.8340 8.6942 126.5375 61.0909 34.0928 174.2550 102 L 5.2963 8.7367 127.1893 53.2530 45.1411 174.9250 103 D 4.9317 8.7319 119.7302 53.1511 44.8613 174.8459 104 N 4.6993 8.6032 124.7344 53.5715 41.9950 176.1431 105 Q 3.4485 8.6243 127.6356 56.4148 27.2325 174.2684 106 G 3.7974 8.7673 101.9910 45.1234 0.0000 172.2664 *108 E 4.2894 7.6384 120.6675 56.3645 31.3173 174.4915 109 I 4.5359 8.3668 123.1440 59.3420 41.8200 173.3997 110 R 4.9969 8.4101 128.7782 54.7782 32.1616 174.3683 111 Y 5.1566 9.2822 122.9501 56.2432 42.0734 174.3630 112 A 5.5060 9.1470 123.8228 49.8944 22.2323 176.0936 113 K 3.7709 8.5850 122.5072 56.0265 32.8462 176.6192 114 Q 4.0549 8.5711 132.5230 56.3643 29.6583 176.7866 115 K 4.1519 8.5341 126.6364 54.8901 31.8422 173.7137 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 23 A 8.26 4.31 1.34 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 0.00 0.00 0.00 24 S 7.87 4.57 0.00 3.97 3.80 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 0.00 0.00 0.00 25 I 8.45 4.09 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.61 0.61 0.00 0.00 26 V 7.70 3.42 2.12 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 0.85 0.00 0.00 1.21 0.00 0.00 27 G 7.63 3.63 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 0.00 0.00 0.00 28 S 7.29 4.50 0.00 3.56 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 29 W 8.93 5.17 0.00 2.86 2.66 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 0.00 0.00 0.00 30 V 9.49 5.47 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 0.76 0.00 0.00 1.04 0.00 0.00 31 E 9.28 5.07 0.00 1.92 1.89 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 2.45 2.31 0.00 32 P 0.00 4.81 0.00 1.96 2.03 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 33 V 8.51 3.95 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 0.95 0.00 0.00 1.04 0.00 0.00 34 P 0.00 4.33 0.00 2.08 2.00 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 35 G 8.98 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.75 4.54 0.00 1.68 1.59 0.93 0.64 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 37 E 8.56 4.03 0.00 1.90 1.89 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 2.30 2.39 0.00 38 G 8.97 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 39 Q 7.70 4.53 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 40 V 8.24 5.17 2.12 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 0.76 0.00 0.00 0.94 0.00 0.00 41 Q 9.61 4.73 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 42 G 7.53 4.29 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 0.00 43 I 7.82 4.89 1.48 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.30 0.59 0.00 0.00 44 K 8.61 4.78 0.00 1.75 1.67 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.15 7.81 *46 E 8.41 4.57 0.00 2.14 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 2.43 0.00 47 E 8.92 4.25 0.00 2.02 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 2.42 2.34 0.00 48 G 8.54 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 49 G 8.01 3.30 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 0.00 50 V 7.63 4.35 2.17 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 0.86 0.00 0.00 0.96 0.00 0.00 51 A 8.81 5.43 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 52 S 8.74 5.12 0.00 3.93 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 53 S 8.88 4.78 0.00 3.90 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 54 V 8.87 4.00 2.18 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 0.98 0.00 0.00 0.91 0.00 0.00 55 N 8.78 4.50 0.00 3.05 2.86 0.00 0.00 7.09 7.35 0.00 0.00 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 A 8.01 4.46 1.33 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 0.00 0.00 58 T 7.91 4.12 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 1.29 0.00 0.00 59 L 7.93 5.00 0.00 1.66 1.66 1.07 0.71 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 60 V 8.91 4.32 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 1.09 0.00 0.00 0.95 0.00 0.00 61 Y 9.01 4.32 0.00 3.08 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 62 E 9.45 4.65 0.00 1.91 1.89 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 2.19 2.30 0.00 63 S 7.85 5.39 0.00 3.91 3.91 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 0.00 0.00 0.00 64 W 9.03 5.90 0.00 3.39 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 65 K 9.26 4.34 0.00 1.67 1.64 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.12 1.24 7.81 66 Q 8.74 5.06 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 67 E 9.23 4.58 0.00 2.03 1.84 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 2.20 2.21 0.00 68 G 8.46 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 69 T 8.67 4.45 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 70 K 8.24 4.66 0.00 1.85 1.79 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.54 7.81 71 L 8.53 5.14 0.00 1.76 1.52 1.16 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.35 4.85 1.93 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 1.26 0.60 0.96 0.00 0.00 73 L 9.38 5.48 0.00 1.82 1.99 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.57 4.76 4.12 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 1.21 0.00 0.00 75 G 7.24 3.61 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 0.00 0.00 0.00 76 K 8.34 5.26 0.00 1.85 1.85 0.00 1.27 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.36 7.81 77 S 9.38 5.36 0.00 3.88 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 78 I 8.68 4.97 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 1.18 0.97 0.98 0.00 0.00 79 G 9.24 4.07 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 0.00 80 N 9.52 3.93 0.00 2.89 2.92 0.00 0.00 6.97 7.65 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 81 G 8.80 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 0.00 0.00 0.00 82 Q 7.94 4.65 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 83 T 8.23 5.13 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 84 I 8.83 4.60 1.92 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 1.25 0.79 0.96 0.00 0.00 85 E 8.94 4.71 0.00 1.84 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 2.28 2.21 0.00 86 F 8.76 5.08 0.00 3.02 3.05 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 0.00 0.00 0.00 87 V 8.51 4.85 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 0.89 0.00 0.00 0.91 0.00 0.00 88 D 9.77 5.12 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 5.33 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 *91 D 8.39 4.53 0.00 2.73 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 92 I 8.77 4.52 1.89 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 1.15 0.62 0.81 0.00 0.00 93 K 9.00 4.35 0.00 1.68 1.83 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.49 7.81 94 R 7.57 4.58 0.00 1.82 1.66 0.00 3.15 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 95 L 8.34 4.82 0.00 1.50 1.46 0.90 0.92 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 96 T 9.05 4.75 4.29 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 1.23 0.00 0.00 97 A 8.79 4.35 1.33 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 0.00 0.00 98 D 7.85 4.97 0.00 2.94 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 99 S 8.42 5.52 0.00 3.77 3.71 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 0.00 0.00 0.00 0.00 100 L 8.71 4.63 0.00 0.27 0.59 0.49 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.69 4.83 2.03 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 1.01 0.00 0.00 0.89 0.00 0.00 102 L 8.74 5.30 0.00 1.63 1.52 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.73 4.93 0.00 2.62 2.46 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 0.00 104 N 8.60 4.70 0.00 2.64 2.66 0.00 0.00 7.02 8.14 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 0.00 105 Q 8.62 3.45 0.00 2.27 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.18 1.91 0.00 106 G 8.77 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 *108 E 7.64 4.29 0.00 1.94 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 2.14 2.44 0.00 109 I 8.37 4.54 1.75 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.90 0.89 0.00 0.00 110 R 8.41 5.00 0.00 1.76 1.69 0.00 3.21 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 111 Y 9.28 5.16 0.00 2.83 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 0.00 112 A 9.15 5.51 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 0.00 113 K 8.59 3.77 0.00 1.62 1.57 0.00 0.68 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.04 7.81 114 Q 8.57 4.05 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 115 K 8.53 4.15 0.00 1.82 1.56 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.