NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 4.4244 7.8976 120.6653 62.8533 33.4707 173.9408 9 K 4.6395 8.8588 125.5257 54.2745 36.1172 173.1473 10 L 4.7380 9.3725 125.8572 54.1377 44.5431 176.0672 11 I 4.8094 8.3463 126.1347 59.4558 40.0365 173.9568 12 A 4.9900 8.9541 129.7504 49.9782 20.8032 175.3839 13 L 4.8054 8.6534 125.1497 53.3934 45.1400 174.5708 14 Y 5.2524 9.2032 124.2001 56.2558 40.6363 175.8140 15 E 4.6827 9.1673 124.4491 55.5573 31.1139 176.5464 16 Q 3.9541 8.0125 120.6182 55.6151 28.8019 175.5865 17 P 4.3951 0.0000 0.0000 62.5245 32.5534 176.9370 18 E 3.9305 8.6354 115.8826 57.9597 30.0794 177.6958 19 D 4.8143 7.7300 117.5151 51.9595 42.9945 176.0949 20 K 3.8667 8.3742 127.7177 59.2103 32.1650 178.9403 21 Q 4.0554 8.2255 119.2563 59.1947 29.0427 178.1346 22 A 4.0438 8.5720 121.8198 55.0010 18.4658 179.2170 23 F 4.1786 8.4869 119.2261 61.7487 39.4162 177.0075 24 D 4.8722 8.9766 118.7838 57.6643 40.6429 178.7749 25 E 4.0300 8.5448 119.0311 59.7183 29.4567 178.9075 26 H 3.7517 8.2709 118.2228 59.1579 29.8635 176.6073 27 Y 3.2086 8.0158 121.4471 60.6620 38.4134 178.0571 28 F 4.3722 8.2327 117.2555 59.9453 39.2250 177.0813 29 N 4.6336 8.3017 114.9629 54.4744 39.1179 176.0397 30 T 4.2465 7.2198 114.1642 65.1311 70.6023 175.7875 31 H 3.9107 7.9170 119.8372 59.0929 29.9025 177.1100 32 A 3.6631 7.6104 122.8477 54.6346 17.9536 177.7404 33 P 4.1392 0.0000 0.0000 65.6312 31.7186 178.3851 34 L 4.0710 7.5917 117.2509 58.2629 41.5351 179.8300 35 T 3.9274 7.8439 115.5295 66.4999 68.1461 176.9301 36 R 4.0837 7.9469 118.7890 58.2295 30.1429 178.1960 37 K 4.3456 7.5966 116.2703 55.9671 32.8049 176.9556 38 I 3.9011 7.3858 122.5965 60.1972 37.4003 173.8797 39 P 4.4388 0.0000 0.0000 64.3077 31.5954 176.8316 40 G 4.0815 8.9254 110.8478 45.1134 0.0000 173.4099 41 L 3.2892 7.4905 121.9749 55.1031 42.3184 176.6181 42 R 4.2600 8.3894 125.5123 57.8667 31.2219 175.3822 43 D 4.3095 7.3002 113.7698 53.4110 43.7437 173.3132 *45 K 4.2222 8.3389 116.4992 56.5753 33.7563 175.0109 46 V 4.7296 8.5969 124.3514 61.4390 33.5550 174.6395 47 T 4.6481 8.4028 123.8369 61.6734 71.3791 173.3229 48 R 4.0395 8.6541 126.3681 55.8054 31.0062 176.3920 49 I 4.0798 8.2248 126.1634 60.7439 37.2374 176.2030 50 V 4.1370 8.9885 118.2858 60.3147 32.3626 176.1595 51 G 3.9244 6.9487 107.0148 45.6202 0.0000 171.0224 52 S 4.7732 7.9538 114.9257 55.5551 65.2000 172.9043 53 P 4.2622 0.0000 0.0000 63.7513 32.3663 176.9584 *55 G 4.0415 7.7463 110.6286 45.1882 0.0000 177.0654 56 E 4.4173 9.0676 120.9899 55.9244 30.0157 175.4824 57 S 4.8194 8.0834 114.2687 55.9932 65.2693 174.1935 58 K 3.8168 8.5586 126.3888 58.5743 32.1912 176.2820 59 F 5.1357 7.9099 116.3608 56.1794 40.6842 175.0275 60 Y 4.6163 9.3932 121.7858 58.9900 41.8390 174.5199 61 L 5.0165 7.4493 118.1706 54.3637 45.8906 173.2017 *63 C 4.8747 8.5357 117.7002 59.6509 32.8857 173.1083 64 E 5.2765 8.9632 124.4192 53.6694 33.0931 174.6887 *66 Y 4.5889 8.1106 116.5002 58.4656 38.6141 174.3709 67 Y 4.9800 8.9506 120.0671 56.1753 42.0850 176.5459 68 D 4.5543 9.1411 121.0102 57.0405 41.5972 176.4534 69 D 4.5010 7.3565 114.4239 51.7125 43.5439 176.4144 70 H 4.1538 8.4391 116.9895 59.0855 28.6551 177.8793 71 E 3.9682 8.1841 119.8455 59.5833 29.2788 179.4500 72 S 4.1271 8.7038 115.4680 61.3702 62.6495 176.4415 73 L 2.9548 7.4971 121.8976 58.0575 41.8616 178.8136 74 Q 4.0490 7.8856 116.7328 58.8682 28.6567 178.5312 75 Q 4.1356 7.9959 118.0932 58.6380 29.3009 180.4248 76 A 4.1351 8.0402 122.9153 51.8771 18.4636 178.9069 *78 R 4.2477 7.9226 118.7534 57.1683 32.1910 176.8324 79 T 4.2097 7.4630 109.5530 61.1268 70.8441 174.9536 80 D 4.3784 8.6236 121.4051 57.8369 40.8186 179.1829 81 E 4.0633 8.1917 118.5018 59.2623 29.5182 179.4424 82 G 3.6404 8.3046 105.8837 47.7590 0.0000 175.8940 83 K 3.9750 8.4656 121.3130 59.1058 32.0724 179.3150 84 A 3.9870 8.2321 121.1788 55.1123 18.2823 179.6160 85 S 4.1420 8.3303 111.8070 61.5221 62.2862 176.6284 86 G 3.6920 8.0925 107.1959 47.8886 0.0000 175.5125 87 K 4.1930 8.2101 120.2678 59.0617 32.3819 178.7023 88 D 4.6029 8.4519 118.2788 57.1427 41.1754 179.0394 89 A 4.2897 8.1731 118.7563 52.6118 18.0387 179.0346 *91 K 4.1897 7.9826 123.2076 57.6852 33.7804 176.7923 92 F 4.5692 8.1746 111.0269 58.1260 38.6242 177.0916 93 A 4.3694 7.8604 122.8312 52.4814 20.2618 178.0943 94 G 3.6542 8.3549 111.6091 49.8590 0.0000 176.4508 95 K 4.1256 7.9639 117.1429 58.3990 33.0406 177.3382 96 L 4.4297 8.0925 119.3222 54.6090 42.4584 175.1311 97 L 4.8269 7.4194 121.5310 53.4904 43.6417 175.5550 98 T 4.6316 8.6871 122.6499 61.7714 71.4414 173.4307 99 L 5.5508 8.2438 124.7602 52.1098 45.1735 175.7092 *101 I 4.0704 8.1327 119.8527 61.4361 38.0631 175.6968 102 G 4.2581 9.2877 113.4834 44.3536 0.0000 171.3751 103 E 4.8750 8.7180 120.0285 54.3140 31.4777 176.0225 104 E 4.1777 8.7507 124.6328 56.2395 29.7967 175.6979 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 8 V 7.90 4.42 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 0.98 0.00 0.00 0.67 0.00 0.00 9 K 8.86 4.64 0.00 1.24 1.07 0.00 0.89 0.00 0.00 1.12 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.13 1.24 7.81 10 L 9.37 4.74 0.00 1.83 1.68 0.90 1.00 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 11 I 8.35 4.81 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.83 0.85 0.00 0.00 12 A 8.95 4.99 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 13 L 8.65 4.81 0.00 1.56 1.34 0.72 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.20 5.25 0.00 2.99 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 15 E 9.17 4.68 0.00 1.80 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 1.86 2.33 0.00 16 Q 8.01 3.95 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 17 P 0.00 4.40 0.00 2.06 1.82 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.00 18 E 8.64 3.93 0.00 2.01 1.91 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 2.23 1.86 0.00 19 D 7.73 4.81 0.00 2.67 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 K 8.37 3.87 0.00 1.84 1.91 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.82 1.24 7.81 21 Q 8.23 4.06 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.00 0.00 22 A 8.57 4.04 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.18 0.00 3.22 3.26 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 24 D 8.98 4.87 0.00 3.14 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 25 E 8.54 4.03 0.00 2.05 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 2.38 2.52 0.00 26 H 8.27 3.75 0.00 3.17 2.61 0.00 5.78 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 27 Y 8.02 3.21 0.00 2.43 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.37 0.00 3.27 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 29 N 8.30 4.63 0.00 2.75 2.82 0.00 0.00 6.84 7.67 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 30 T 7.22 4.25 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 0.99 0.00 0.00 31 H 7.92 3.91 0.00 2.80 2.65 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.61 3.66 1.08 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 0.00 0.00 0.00 33 P 0.00 4.14 0.00 1.94 2.08 0.00 3.48 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 34 L 7.59 4.07 0.00 1.75 1.63 0.87 0.57 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 35 T 7.84 3.93 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 1.26 0.00 0.00 36 R 7.95 4.08 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 37 K 7.60 4.35 0.00 1.84 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.68 7.81 38 I 7.39 3.90 2.04 0.00 0.00 0.95 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 1.28 1.10 0.00 0.00 39 P 0.00 4.44 0.00 2.08 2.03 0.00 3.72 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 2.06 2.12 0.00 40 G 8.93 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 0.00 0.00 0.00 0.00 41 L 7.49 3.29 0.00 1.66 1.58 0.69 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.39 4.26 0.00 1.83 1.91 0.00 3.41 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 43 D 7.30 4.31 0.00 2.41 2.34 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 *45 K 8.34 4.22 0.00 1.95 1.87 0.00 1.93 0.00 0.00 1.83 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.57 7.81 46 V 8.60 4.73 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 0.97 0.00 0.00 1.17 0.00 0.00 47 T 8.40 4.65 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 1.22 0.00 0.00 48 R 8.65 4.04 0.00 1.66 1.75 0.00 3.15 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 49 I 8.22 4.08 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 1.29 0.84 1.03 0.00 0.00 50 V 8.99 4.14 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 0.72 0.00 0.00 0.93 0.00 0.00 51 G 6.95 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 52 S 7.95 4.77 0.00 3.96 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 P 0.00 4.26 0.00 2.07 2.14 0.00 3.73 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 2.04 2.11 0.00 *55 G 7.75 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 56 E 9.07 4.42 0.00 1.97 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 2.32 2.30 0.00 57 S 8.08 4.82 0.00 3.88 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 58 K 8.56 3.82 0.00 1.57 1.32 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.52 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 1.03 7.81 59 F 7.91 5.14 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.39 4.62 0.00 2.84 2.83 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 61 L 7.45 5.02 0.00 1.44 1.46 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *63 C 8.54 4.87 0.00 3.36 3.07 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 64 E 8.96 5.28 0.00 1.94 1.63 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 2.15 2.09 0.00 *66 Y 8.11 4.59 0.00 2.98 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 67 Y 8.95 4.98 0.00 2.85 2.83 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 68 D 9.14 4.55 0.00 2.73 2.77 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 69 D 7.36 4.50 0.00 2.90 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 70 H 8.44 4.15 0.00 3.20 3.36 0.00 5.62 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 71 E 8.18 3.97 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 72 S 8.70 4.13 0.00 4.10 4.02 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 73 L 7.50 2.95 0.00 1.35 1.72 0.38 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.89 4.05 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 75 Q 8.00 4.14 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.63 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 76 A 8.04 4.14 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 *78 R 7.92 4.25 0.00 1.94 2.02 0.00 3.31 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 79 T 7.46 4.21 4.40 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 1.29 0.00 0.00 80 D 8.62 4.38 0.00 2.71 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 81 E 8.19 4.06 0.00 2.07 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 2.56 2.44 0.00 82 G 8.30 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 3.98 0.00 1.95 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.58 7.81 84 A 8.23 3.99 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 85 S 8.33 4.14 0.00 3.90 4.05 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 86 G 8.09 3.69 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 0.00 0.00 0.00 87 K 8.21 4.19 0.00 1.76 1.92 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.65 7.81 88 D 8.45 4.60 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.29 1.53 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 *91 K 7.98 4.19 0.00 1.92 2.13 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.48 7.81 92 F 8.17 4.57 0.00 2.98 2.77 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 93 A 7.86 4.37 0.44 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 94 G 8.35 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.96 4.13 0.00 1.86 1.94 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 96 L 8.09 4.43 0.00 1.99 1.91 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.42 4.83 0.00 1.53 1.60 0.25 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.69 4.63 4.19 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 1.17 0.00 0.00 99 L 8.24 5.55 0.00 1.46 1.54 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *101 I 8.13 4.07 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 1.26 0.45 0.96 0.00 0.00 102 G 9.29 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 0.00 0.00 0.00 0.00 103 E 8.72 4.88 0.00 1.85 1.91 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 2.24 2.33 0.00 104 E 8.75 4.18 0.00 1.98 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 2.32 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.