NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1931 8.2544 119.6973 56.3780 31.4641 174.9727 3 T 4.3031 7.9138 116.6270 59.5424 71.0654 173.2047 4 R 3.2788 8.3704 123.6403 59.2812 30.2506 178.7560 5 S 4.3391 7.6137 111.9705 61.7445 62.6025 176.1003 6 Q 3.7422 7.9327 120.1815 58.6503 28.3891 178.8947 7 V 3.4378 8.0967 119.6902 65.8482 31.4958 178.1903 8 W 4.4328 8.2781 118.7969 59.6605 28.7834 178.2693 9 A 3.5956 8.0088 121.2098 55.0544 17.5772 179.5277 10 Q 3.7784 7.9690 117.9180 59.1758 29.1546 178.5287 11 K 3.9252 8.0476 119.3259 59.4072 32.1142 179.1804 12 A 3.3059 8.6210 121.5757 54.8802 18.1227 178.7392 13 Y 3.3253 7.6942 118.2538 60.7274 38.6549 178.2110 14 E 3.5204 7.8655 119.7573 59.1473 29.8680 178.7862 15 K 3.9600 8.0099 118.4789 59.6686 32.1185 179.5114 16 V 3.8122 8.3002 118.8598 65.7729 31.2331 178.0504 17 R 3.8196 7.8321 118.0241 59.4455 30.2980 178.1093 18 E 4.0192 8.1376 118.1966 59.2991 29.2533 179.1758 19 A 3.8717 7.6329 119.1772 54.5207 18.2930 179.2051 20 A 4.0471 7.7582 119.1852 54.4987 19.5422 178.6119 21 K 4.3320 7.3965 116.5098 54.6883 31.6877 176.3966 22 G 4.1491 7.0890 107.0104 44.1000 0.0000 171.3532 23 E 4.1080 8.4757 121.6902 57.0222 30.5594 177.1674 24 G 4.0038 8.7243 113.0954 45.9136 0.0000 175.4589 25 R 4.1924 7.6342 117.4927 58.5880 29.1706 179.1275 26 G 3.6395 8.0637 106.8211 47.8757 0.0000 175.5128 27 E 4.3984 8.1134 120.9568 58.4572 29.6578 178.2237 28 Y 4.3502 7.7934 118.6432 60.7265 39.1195 177.8053 29 R 4.2217 8.4218 119.6292 59.5380 29.6646 178.2789 30 D 4.4896 8.0481 115.2419 55.6935 40.8524 178.0683 *32 A 4.2193 7.8633 123.9755 52.2139 20.4252 178.9986 33 L 4.1339 8.1611 115.1213 57.2301 42.1412 178.7845 34 K 4.1666 7.9340 118.4015 57.8043 32.2128 178.1991 35 L 3.8484 7.8364 120.6029 57.8209 41.9108 176.7189 36 P 4.1585 0.0000 0.0000 65.8921 31.2087 178.6595 37 V 3.5579 7.6890 116.1317 65.8264 31.4560 177.8783 38 L 3.8514 7.6904 118.6071 57.7894 41.5891 179.6273 39 V 3.7216 7.8859 118.2475 66.0320 31.1870 178.3752 40 R 3.8946 7.6891 116.8272 59.3585 30.0533 178.6736 41 Q 4.1026 8.1320 116.4588 57.9968 28.9594 176.9349 42 A 4.3326 8.4228 121.1211 51.6046 20.4932 177.6680 43 G 4.0717 7.8370 102.2039 44.9969 0.0000 174.4940 44 L 3.7975 8.5828 121.2140 58.2143 42.0130 179.5530 45 S 4.1772 8.4749 114.9150 61.8225 62.8485 176.5903 46 Q 3.9619 8.1853 121.3971 59.1614 28.7865 178.0732 47 A 4.0728 8.0732 121.8981 55.0473 18.4540 179.6620 48 L 3.9546 8.1779 117.4265 57.7544 41.5955 179.5643 49 A 4.0075 8.3956 121.2134 54.9398 18.3065 179.4449 50 F 4.0221 8.2715 119.3087 61.4417 39.4812 177.6069 51 V 3.3816 7.8635 117.9147 66.0055 31.1296 177.5345 52 D 4.3249 8.0336 116.6636 57.2079 41.0770 177.3115 53 S 4.3383 7.9701 115.3985 60.5514 63.2934 175.5249 54 R 3.8316 7.8156 123.8544 58.3690 30.5690 178.4270 55 G 4.4813 7.2131 104.0914 44.7307 0.0000 171.1842 *57 E 4.1901 8.2391 116.6961 56.3082 31.6919 178.7431 58 A 4.1808 7.5556 120.2128 55.0753 18.7907 179.3829 59 H 4.1890 7.9957 114.7900 59.1313 28.9235 177.9431 60 K 3.9831 7.9800 119.5660 59.2179 31.8015 179.0721 61 A 4.0444 8.2230 121.2948 54.9577 18.2019 179.3611 62 L 3.7162 7.8098 118.8062 58.1373 42.0985 179.3383 63 G 3.5363 7.6930 105.2855 48.0335 0.0000 175.3458 64 N 4.4634 8.7877 119.4428 56.0454 38.5260 177.2977 65 D 4.5103 8.4891 120.7190 57.1834 41.0565 178.6180 66 L 3.9107 7.9292 120.8170 58.0710 42.0638 178.7391 67 A 4.0905 8.0367 120.7040 55.5001 18.2698 179.6314 68 Q 4.8443 8.2614 117.7624 58.8071 28.5698 179.2093 69 V 3.7973 7.8903 118.3356 65.6178 31.6130 177.0574 70 L 4.6729 7.6852 115.9553 54.4503 41.6413 177.3831 71 G 3.8196 8.2708 107.2377 45.6430 0.0000 173.2192 72 Y 5.4277 8.2226 116.8539 55.2041 40.1545 177.1442 73 R 3.8825 9.3685 123.0289 59.1261 30.4433 176.5229 74 D 4.6048 7.7892 115.1222 51.1142 43.1783 175.2523 75 L 3.8388 9.0741 121.1575 58.6705 41.6655 179.1125 76 R 3.8752 7.9811 117.0672 59.3209 30.0798 178.4644 77 E 3.9363 8.6275 119.0520 59.1493 29.6548 178.6280 78 L 2.8999 7.8323 120.1687 57.7563 42.1048 178.7688 79 A 3.9372 8.2969 121.1799 54.9570 18.2365 179.2402 80 E 3.8025 8.4580 117.8898 59.3788 29.6127 178.7688 81 A 4.0260 8.0005 120.5518 55.2327 18.1899 179.5107 82 A 4.0803 7.7485 117.9761 55.4076 18.5817 179.5237 83 R 3.9691 7.8721 116.3622 58.9509 30.2668 177.6393 84 E 4.3118 7.8093 113.9787 55.6328 30.6290 176.4103 85 A 4.1478 7.0436 123.8416 52.1126 19.2397 177.9003 86 E 4.3016 8.5514 121.3317 55.5045 31.7656 177.5244 87 L 3.9197 8.5408 120.3300 59.1965 41.9358 178.7663 88 L 4.0247 7.9241 117.7197 58.0300 41.6417 179.6431 89 Q 4.0598 8.0839 117.4389 58.9976 28.7039 177.9166 90 Y 4.1108 8.6084 120.9110 60.8951 38.9067 178.2100 91 L 3.9894 8.3365 120.0313 57.6020 41.6413 179.6444 92 R 3.9143 7.8843 118.6137 59.2051 30.1106 178.2304 93 L 3.9512 8.2595 120.5918 58.4657 41.9997 178.9245 94 T 3.6520 7.9636 116.0321 66.8001 68.3445 176.7853 95 R 3.8929 7.7596 119.3714 59.1329 29.9839 179.0619 96 E 3.8072 8.2050 118.5105 59.2459 29.4672 179.4947 97 V 3.3447 8.1243 118.6070 65.6522 31.5632 177.7294 98 L 3.8098 8.0229 120.0128 58.1839 41.4581 178.7927 99 A 3.9646 8.0359 120.3769 55.1128 18.4445 179.5264 100 A 4.2102 8.0494 119.1495 55.3609 18.4139 179.6407 101 A 4.1327 8.6456 119.6590 55.5063 18.3061 179.7201 102 E 3.8400 8.3333 117.0525 59.3653 29.4421 179.6561 103 W 4.3332 7.9088 117.9611 59.6054 29.0376 178.6842 104 F 4.1989 8.4798 117.5626 60.4425 38.3989 177.5368 105 K 4.0119 8.4941 119.3891 59.6267 32.0565 179.0836 106 R 3.8402 8.2519 118.4349 59.4160 29.9372 179.1656 107 F 4.3411 8.4934 117.3849 60.3327 38.9151 177.6955 108 A 4.1623 8.6024 120.7861 55.3730 17.9448 179.7401 109 Q 4.0101 8.0027 115.6771 58.9128 28.8562 178.2434 110 A 4.3147 7.9211 120.6402 53.6937 18.9183 178.4870 111 L 4.7494 8.7703 115.1349 53.5232 43.1269 176.3827 112 I 4.4286 7.4501 120.1101 60.3816 39.7537 175.1260 113 E 4.1251 9.0295 124.9016 56.4910 30.0952 173.7885 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 2 R 8.25 4.19 0.00 1.75 1.87 0.00 3.08 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 3 T 7.91 4.30 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 1.22 0.00 0.00 4 R 8.37 3.28 0.00 1.32 0.66 0.00 3.01 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 5 S 7.61 4.34 0.00 4.09 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 6 Q 7.93 3.74 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 7 V 8.10 3.44 1.78 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 0.92 0.00 0.00 0.82 0.00 0.00 8 W 8.28 4.43 0.00 3.74 3.20 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 9 A 8.01 3.60 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.97 3.78 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 11 K 8.05 3.93 0.00 2.12 1.92 0.00 1.92 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.66 7.81 12 A 8.62 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.69 3.33 0.00 1.79 2.67 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 0.00 0.00 0.00 0.00 14 E 7.87 3.52 0.00 1.88 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 0.00 2.13 2.40 0.00 15 K 8.01 3.96 0.00 2.08 2.17 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.85 7.81 16 V 8.30 3.81 2.32 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 1.28 0.00 0.00 1.25 0.00 0.00 17 R 7.83 3.82 0.00 1.56 1.85 0.00 3.06 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 18 E 8.14 4.02 0.00 2.14 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 2.25 2.69 0.00 19 A 7.63 3.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.05 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 21 K 7.40 4.33 0.00 1.76 1.77 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.40 7.81 22 G 7.09 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 23 E 8.48 4.11 0.00 1.93 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 2.29 2.25 0.00 24 G 8.72 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 0.00 0.00 0.00 25 R 7.63 4.19 0.00 2.19 2.45 0.00 2.80 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 26 G 8.06 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 27 E 8.11 4.40 0.00 2.01 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 0.00 2.36 2.26 0.00 28 Y 7.79 4.35 0.00 2.99 3.24 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 29 R 8.42 4.22 0.00 2.15 2.21 0.00 3.36 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 30 D 8.05 4.49 0.00 2.98 2.70 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 *32 A 7.86 4.22 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 33 L 8.16 4.13 0.00 1.82 1.74 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.93 4.17 0.00 1.87 1.83 0.00 1.45 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.42 7.81 35 L 7.84 3.85 0.00 1.70 1.58 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.16 0.00 2.14 2.20 0.00 3.70 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 2.09 2.13 0.00 37 V 7.69 3.56 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 1.09 0.00 0.00 0.89 0.00 0.00 38 L 7.69 3.85 0.00 1.89 1.61 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.89 3.72 2.14 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 0.94 0.00 0.00 0.88 0.00 0.00 40 R 7.69 3.89 0.00 1.80 1.93 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 41 Q 8.13 4.10 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 42 A 8.42 4.33 1.24 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 43 G 7.84 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 44 L 8.58 3.80 0.00 1.46 1.35 0.79 0.61 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 45 S 8.47 4.18 0.00 4.01 3.95 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 46 Q 8.19 3.96 0.00 2.14 2.23 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 2.46 0.00 47 A 8.07 4.07 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 48 L 8.18 3.95 0.00 1.83 1.69 0.83 0.48 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 49 A 8.40 4.01 1.41 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 0.00 0.00 50 F 8.27 4.02 0.00 3.25 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 51 V 7.86 3.38 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 0.87 0.00 0.00 1.04 0.00 0.00 52 D 8.03 4.32 0.00 2.75 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 53 S 7.97 4.34 0.00 3.85 3.75 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 54 R 7.82 3.83 0.00 1.45 0.92 0.00 3.40 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.36 0.00 55 G 7.21 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 E 8.24 4.19 0.00 1.97 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 2.26 2.25 0.00 58 A 7.56 4.18 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 59 H 8.00 4.19 0.00 3.15 3.27 0.00 5.65 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 60 K 7.98 3.98 0.00 1.92 1.84 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.47 7.81 61 A 8.22 4.04 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.72 0.00 0.95 1.57 0.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.69 3.54 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 0.00 0.00 0.00 64 N 8.79 4.46 0.00 2.86 2.91 0.00 0.00 7.08 8.48 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 65 D 8.49 4.51 0.00 3.01 3.13 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 66 L 7.93 3.91 0.00 1.04 1.63 0.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.04 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 68 Q 8.26 4.84 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 69 V 7.89 3.80 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 1.07 0.00 0.00 1.24 0.00 0.00 70 L 7.69 4.67 0.00 2.13 1.91 0.81 0.02 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 71 G 8.27 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.22 5.43 0.00 3.06 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 73 R 9.37 3.88 0.00 1.94 2.05 0.00 3.33 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 74 D 7.79 4.60 0.00 3.17 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 75 L 9.07 3.84 0.00 1.77 1.70 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.98 3.88 0.00 2.03 1.96 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 77 E 8.63 3.94 0.00 2.20 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 0.00 2.57 2.44 0.00 78 L 7.83 2.90 0.00 1.43 1.58 0.17 0.97 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 79 A 8.30 3.94 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 80 E 8.46 3.80 0.00 2.16 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 0.00 2.33 2.52 0.00 81 A 8.00 4.03 1.40 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 0.00 0.00 82 A 7.75 4.08 1.41 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 0.00 0.00 83 R 7.87 3.97 0.00 1.84 1.97 0.00 3.25 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 84 E 7.81 4.31 0.00 2.16 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 0.00 2.63 2.35 0.00 85 A 7.04 4.15 1.51 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 0.00 0.00 86 E 8.55 4.30 0.00 2.35 1.88 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 2.42 2.32 0.00 87 L 8.54 3.92 0.00 1.76 1.68 0.98 0.57 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 88 L 7.92 4.02 0.00 1.77 1.75 0.95 0.83 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 89 Q 8.08 4.06 0.00 2.47 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 90 Y 8.61 4.11 0.00 3.09 3.18 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 0.00 91 L 8.34 3.99 0.00 1.76 1.73 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.88 3.91 0.00 2.01 2.21 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 93 L 8.26 3.95 0.00 1.87 1.69 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.96 3.65 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 1.06 0.00 0.00 95 R 7.76 3.89 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 96 E 8.21 3.81 0.00 2.09 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 2.72 2.62 0.00 97 V 8.12 3.34 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 0.87 0.00 0.00 0.84 0.00 0.00 98 L 8.02 3.81 0.00 1.98 1.70 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.04 3.96 1.60 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 0.00 0.00 100 A 8.05 4.21 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 0.00 101 A 8.65 4.13 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 0.00 102 E 8.33 3.84 0.00 1.88 1.64 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 2.41 2.32 0.00 103 W 7.91 4.33 0.00 3.72 3.40 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 0.00 104 F 8.48 4.20 0.00 3.40 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 0.00 105 K 8.49 4.01 0.00 2.01 2.00 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 106 R 8.25 3.84 0.00 1.87 1.72 0.00 2.53 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 107 F 8.49 4.34 0.00 3.34 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 0.00 108 A 8.60 4.16 1.62 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 0.00 109 Q 8.00 4.01 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 110 A 7.92 4.31 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 0.00 111 L 8.77 4.75 0.00 1.71 1.80 1.15 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.45 4.43 2.11 0.00 0.00 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 1.27 0.75 1.06 0.00 0.00 113 E 9.03 4.13 0.00 2.14 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 0.00 2.18 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.