NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4173 8.1749 110.9466 61.1720 69.6003 174.8468 -4 E 5.3440 8.9746 111.4264 56.3619 31.7518 173.8758 -3 F 4.9219 8.9941 120.4613 56.3085 43.3480 173.6526 -2 K 4.0951 7.5077 125.4944 53.8016 35.0937 176.1018 -1 A 4.1467 7.2530 124.5740 51.6950 19.8881 177.4374 -4 G 4.9540 8.8846 100.0264 44.8619 0.0000 172.1758 -3 S 4.7719 9.0041 115.8613 56.9085 67.5480 172.4527 -2 A 4.0951 7.4577 128.8944 50.1016 21.0937 177.3018 -1 K 4.1467 7.3030 121.1740 55.3950 33.8881 176.2374 5 K 4.1752 8.0149 119.6775 59.4055 32.1651 178.9939 6 G 3.6585 8.0139 105.4565 47.5642 0.0000 175.3370 7 A 2.5800 7.6259 122.8513 54.5971 18.4697 179.4250 8 T 4.0088 7.6040 107.0932 63.9087 69.2086 176.7765 9 L 3.9606 7.6341 123.8841 57.7291 42.0076 178.5173 10 F 4.1108 8.0413 120.7165 61.2110 39.1413 177.1605 11 K 3.9439 7.6146 116.5519 59.8016 32.0285 179.1058 12 T 4.1179 7.6776 107.6547 63.4623 69.0572 176.0334 13 R 4.4254 8.0107 119.4713 56.4615 32.3185 176.3013 14 C 4.5502 8.1793 114.1703 59.0501 30.3712 175.8746 15 L 3.9628 7.3609 120.1016 57.1787 42.0391 177.4133 16 Q 4.0628 8.0936 118.8605 58.9510 28.8283 177.0552 17 C 4.6851 7.8646 111.8048 59.7572 29.2536 172.8689 18 H 5.1889 8.0188 116.5952 54.3291 32.8411 172.4286 19 T 4.8946 8.4391 111.0081 60.2336 71.2002 175.0224 20 V 4.5698 8.1486 113.4700 60.9310 34.2332 176.4091 21 E 4.1398 8.0494 118.8896 55.4270 30.0861 176.3947 22 K 4.0010 8.1484 121.6607 58.3005 33.0264 177.1920 23 G 3.8713 9.0275 110.5572 45.2871 0.0000 173.2358 24 G 3.9339 7.7138 108.5198 43.7338 0.0000 172.3210 25 P 4.6233 0.0000 0.0000 61.2117 33.0650 175.4383 26 H 4.6572 8.2568 116.1866 55.9866 30.2246 175.8440 27 K 4.6589 8.7676 123.9898 55.8566 32.5072 178.3969 28 V 3.7028 8.9544 125.0813 66.4203 31.4565 176.1858 29 G 3.7698 8.0476 108.3568 42.6754 0.0000 171.0542 30 P 4.0398 0.0000 0.0000 61.3800 32.0703 175.8663 31 N 4.5220 8.8908 118.5216 54.2027 39.5369 174.6976 32 L 4.3692 9.0431 124.2020 54.5447 42.3149 176.0551 33 H 4.1309 8.0462 119.4988 57.6806 30.0334 175.0511 34 G 3.9280 8.7274 114.4193 46.3723 0.0000 174.5773 35 I 3.6465 7.5219 122.8393 63.2573 38.1076 176.3658 36 F 4.6919 7.8802 119.3123 58.5009 39.1272 175.6360 37 G 3.9318 10.1443 115.6963 44.9718 0.0000 173.1963 38 A 4.5425 7.7544 121.3782 51.6479 20.6495 175.9251 39 H 4.8488 8.4802 115.8867 53.8096 30.9971 175.4801 40 S 4.2687 8.3331 116.8431 59.1935 63.5508 173.9630 41 G 2.0708 7.5037 107.7307 46.9629 0.0000 174.2854 42 Q 4.5576 7.9824 114.2455 54.7912 30.7335 175.7388 43 A 4.3190 8.6483 123.6941 51.7582 18.9717 177.3444 44 E 4.3563 8.7482 121.5232 57.2579 30.6683 177.1575 45 G 4.0306 9.2606 109.6948 45.3322 0.0000 172.2538 46 Y 4.4719 7.2137 118.5011 55.5786 41.0898 175.9203 47 S 4.3508 6.7776 120.9660 56.8823 61.0661 172.7799 48 Y 4.5581 7.9592 122.1374 57.0969 39.0355 176.3853 49 T 4.2796 8.4559 113.8180 61.6133 71.3088 175.3340 50 D 4.4626 8.5811 120.1440 57.0503 40.5989 178.5490 51 A 3.9862 8.0506 120.2373 55.8123 18.7554 178.3241 52 N 4.2199 8.0762 114.4204 57.4319 38.5765 176.6445 53 I 3.5526 7.6545 119.3443 64.4114 37.1915 178.1610 54 K 3.9475 7.6777 116.5972 57.7548 32.1417 178.7767 55 K 3.8917 7.7129 119.8466 57.3622 32.5238 176.2275 56 N 3.9478 7.4967 115.3397 53.9459 38.1173 174.2316 57 V 3.3368 7.1533 116.4789 62.7902 32.7669 174.3857 58 L 4.4297 8.0113 130.0048 53.4726 42.9479 175.9608 59 W 4.7851 9.7282 128.7377 56.7257 29.6631 175.0639 60 D 5.8500 8.7140 124.2237 50.7496 42.3024 176.8261 61 E 3.9944 8.7793 116.6078 58.9935 29.8224 178.6388 62 N 4.5349 8.2137 117.5587 56.1946 38.7823 176.8369 63 N 4.4336 9.4242 118.6663 56.7153 38.6881 177.0511 64 M 4.1932 8.1167 119.0563 58.7177 31.9105 178.3481 65 S 4.1176 7.5205 111.3026 61.3439 63.0355 175.5537 66 E 4.0822 8.0687 120.7861 59.4516 28.9926 178.3372 67 Y 3.8684 7.9145 119.7745 60.8258 38.8770 178.2861 68 L 3.8906 8.0955 118.8491 56.9238 41.5046 179.6607 69 T 4.2500 7.5349 117.6644 64.9128 69.4403 173.4843 70 N 4.7530 7.6657 117.0786 52.0033 40.8732 173.3469 71 P 4.0588 0.0000 0.0000 62.4369 31.1981 178.9134 *73 K 4.0048 8.1027 121.5911 57.5159 33.8802 176.2490 74 Y 4.2593 8.2247 118.7165 59.9727 39.0379 175.6197 75 I 4.4604 8.6618 122.8758 58.1062 37.8438 171.2353 76 P 4.5017 0.0000 0.0000 63.9168 31.5734 177.0733 77 G 4.0218 9.1170 111.9620 44.9824 0.0000 173.3834 78 T 4.0187 7.9901 114.8199 62.5081 67.6812 173.6682 79 K 4.3289 8.5641 124.8988 56.9113 33.3127 176.1674 80 M 4.1209 7.8660 120.8411 55.9529 32.2084 176.6080 81 A 4.5172 8.3171 132.0846 50.5044 17.7629 174.9575 82 S 4.6305 7.6674 113.8989 55.6661 65.9568 174.4411 83 G 3.5772 8.6488 116.0632 47.4010 0.0000 172.7255 84 G 4.2395 7.3144 103.1631 44.0358 0.0000 173.2773 85 L 4.6007 8.6158 119.7606 52.6910 42.7981 177.9596 86 K 4.0256 8.5774 124.1611 58.2169 32.6500 178.5597 87 K 4.3793 7.8200 119.0952 55.1194 33.7245 177.2038 88 E 3.9873 8.8380 124.8485 59.1191 29.5719 178.9730 89 K 3.8164 8.0364 118.5578 60.1483 32.5618 178.7896 90 D 4.3667 8.0328 119.5489 57.1589 40.7835 178.7875 91 R 4.0228 7.8314 118.6855 59.1497 30.0909 178.8074 92 N 4.5969 9.0521 117.2895 56.5577 38.4897 176.9555 93 D 4.4187 8.4448 120.4797 57.4328 40.9376 178.8013 94 L 4.0986 8.5115 120.8075 58.4928 42.1911 179.1166 95 I 3.7911 8.3170 119.9900 64.5746 36.6383 178.6073 96 T 3.9901 8.1062 116.7546 66.6622 68.2709 176.0342 97 Y 3.9986 7.8950 121.2086 60.6539 38.9343 177.9440 98 L 3.6286 8.0713 119.9403 57.5604 41.5465 179.1241 99 K 3.2546 7.9556 118.6352 59.4279 32.0049 178.3064 100 K 3.9204 7.2389 117.6612 59.5011 32.2958 178.4347 101 A 4.0044 7.3589 119.2664 54.1719 18.4609 178.2302 102 A 4.1602 7.6802 118.3327 52.1093 18.7270 177.1238 103 E 4.0775 7.7838 126.3329 57.4505 29.8226 175.7401 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 -5 T 8.17 4.42 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 1.27 0.00 0.00 -4 E 8.97 5.34 0.00 2.07 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 2.18 2.36 0.00 -3 F 8.99 4.92 0.00 3.00 3.10 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 -2 K 7.51 4.10 0.00 1.48 1.40 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.27 7.81 -1 A 7.25 4.15 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 -4 G 8.88 4.95 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 0.00 0.00 0.00 -3 S 9.00 4.77 0.00 3.75 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 -2 A 7.46 4.10 1.15 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 -1 K 7.30 4.15 0.00 1.60 1.49 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.31 7.81 5 K 8.01 4.18 0.00 1.87 2.03 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.81 1.57 7.81 6 G 8.01 3.66 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 0.00 0.00 0.00 7 A 7.63 2.58 1.13 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 8 T 7.60 4.01 4.20 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 1.20 0.00 0.00 9 L 7.63 3.96 0.00 1.89 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.04 4.11 0.00 3.20 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 11 K 7.61 3.94 0.00 1.72 1.86 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.79 7.81 12 T 7.68 4.12 4.21 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 1.22 0.00 0.00 13 R 8.01 4.43 0.00 1.89 1.91 0.00 3.23 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 14 C 8.18 4.55 0.00 1.31 2.47 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 0.00 15 L 7.36 3.96 0.00 1.46 1.76 1.11 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.09 4.06 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 17 C 7.86 4.69 0.00 2.86 2.84 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 18 H 8.02 5.19 0.00 3.18 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.44 4.89 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 1.27 0.00 0.00 20 V 8.15 4.57 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 0.58 0.00 0.00 0.38 0.00 0.00 21 E 8.05 4.14 0.00 2.10 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 0.00 2.43 2.25 0.00 22 K 8.15 4.00 0.00 1.52 1.06 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.34 7.81 23 G 9.03 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 24 G 7.71 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 25 P 0.00 4.62 0.00 2.18 2.04 0.00 3.78 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 1.95 1.98 0.00 26 H 8.26 4.66 0.00 3.30 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.77 4.66 0.00 1.77 1.22 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.35 7.81 28 V 8.95 3.70 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 0.79 0.00 0.00 0.93 0.00 0.00 29 G 8.05 3.77 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 0.00 0.00 0.00 30 P 0.00 4.04 0.00 1.83 0.96 0.00 3.31 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.59 0.00 31 N 8.89 4.52 0.00 2.83 2.79 0.00 0.00 6.98 7.78 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 32 L 9.04 4.37 0.00 1.64 1.51 0.81 0.63 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 33 H 8.05 4.13 0.00 3.29 3.22 0.00 6.04 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.73 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 35 I 7.52 3.65 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.53 0.28 0.00 0.00 36 F 7.88 4.69 0.00 3.09 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 37 G 10.14 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 38 A 7.75 4.54 1.44 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 39 H 8.48 4.85 0.00 2.88 3.12 0.00 5.92 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.33 4.27 0.00 3.95 3.59 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 41 G 7.50 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.98 4.56 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 43 A 8.65 4.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.75 4.36 0.00 2.16 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 0.00 2.34 2.36 0.00 45 G 9.26 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 0.00 0.00 0.00 46 Y 7.21 4.47 0.00 2.49 2.36 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 47 S 6.78 4.35 0.00 3.63 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 4.56 0.00 3.06 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 49 T 8.46 4.28 4.31 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 1.32 0.00 0.00 50 D 8.58 4.46 0.00 2.73 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 51 A 8.05 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.22 0.00 2.94 2.90 0.00 0.00 7.29 8.11 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 53 I 7.65 3.55 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.84 0.00 0.00 54 K 7.68 3.95 0.00 1.84 1.82 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.56 7.81 55 K 7.71 3.89 0.00 1.79 1.83 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.40 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.20 1.24 7.81 56 N 7.50 3.95 0.00 2.59 2.70 0.00 0.00 7.19 7.59 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 57 V 7.15 3.34 0.91 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 -0.57 0.00 0.00 0.59 0.00 0.00 58 L 8.01 4.43 0.00 1.47 1.41 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 W 9.73 4.79 0.00 3.22 2.71 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 60 D 8.71 5.85 0.00 2.81 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 E 8.78 3.99 0.00 1.16 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 1.98 2.21 0.00 62 N 8.21 4.53 0.00 3.00 2.95 0.00 0.00 7.17 6.92 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 63 N 9.42 4.43 0.00 2.96 3.04 0.00 0.00 6.70 5.70 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 64 M 8.12 4.19 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.74 0.00 65 S 7.52 4.12 0.00 4.04 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 66 E 8.07 4.08 0.00 2.07 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 0.00 2.51 2.47 0.00 67 Y 7.91 3.87 0.00 2.79 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 68 L 8.10 3.89 0.00 1.81 1.66 0.96 0.54 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 69 T 7.53 4.25 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 1.22 0.00 0.00 70 N 7.67 4.75 0.00 2.66 2.67 0.00 0.00 7.00 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 71 P 0.00 4.06 0.00 2.13 1.30 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.60 0.00 *73 K 8.10 4.00 0.00 1.79 2.12 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.56 7.81 74 Y 8.22 4.26 0.00 3.13 3.47 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 0.00 75 I 8.66 4.46 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.95 0.00 0.00 76 P 0.00 4.50 0.00 2.05 2.03 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 77 G 9.12 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 0.00 0.00 0.00 78 T 7.99 4.02 4.52 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 1.39 0.00 0.00 79 K 8.56 4.33 0.00 1.95 1.97 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 80 M 7.87 4.12 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 81 A 8.32 4.52 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 82 S 7.67 4.63 0.00 3.74 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 83 G 8.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.31 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 0.00 0.00 0.00 85 L 8.62 4.60 0.00 1.82 1.59 0.94 0.90 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 86 K 8.58 4.03 0.00 1.75 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.40 7.81 87 K 7.82 4.38 0.00 1.95 1.73 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 E 8.84 3.99 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 89 K 8.04 3.82 0.00 2.06 2.06 0.00 1.45 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.60 7.81 90 D 8.03 4.37 0.00 2.89 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 91 R 7.83 4.02 0.00 2.05 2.06 0.00 3.23 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 92 N 9.05 4.60 0.00 2.81 2.97 0.00 0.00 7.02 5.12 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 93 D 8.44 4.42 0.00 2.85 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 94 L 8.51 4.10 0.00 1.80 1.76 1.23 1.22 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 95 I 8.32 3.79 2.02 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 1.60 0.57 0.34 0.00 0.00 96 T 8.11 3.99 4.51 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 1.26 0.00 0.00 97 Y 7.90 4.00 0.00 3.09 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 98 L 8.07 3.63 0.00 1.97 1.93 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.96 3.25 0.00 1.56 1.91 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.10 1.31 7.81 100 K 7.24 3.92 0.00 1.66 1.74 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 101 A 7.36 4.00 0.72 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 0.00 102 A 7.68 4.16 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 0.00 103 E 7.78 4.08 0.00 2.00 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 2.17 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.