NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6892 8.4201 119.2043 53.4370 41.7062 176.4233 0 A 3.9964 8.1765 125.5046 52.0916 17.9604 177.1649 2 K 4.0863 9.0283 115.5579 57.1721 32.1663 173.3917 3 K 4.0373 8.3317 129.4273 57.6802 32.8108 176.3178 4 G 3.8345 8.7705 107.3506 44.5211 0.0000 172.7746 5 T 4.4050 8.2098 106.1753 61.0547 69.9837 174.4710 6 V 3.9867 7.5848 122.3777 61.9597 30.2152 174.5846 7 L 4.3355 8.0507 126.1323 55.6462 42.8378 177.9013 8 N 4.4471 7.9632 117.8551 53.3572 40.4384 175.5620 9 S 4.1414 8.6055 122.9234 61.7081 63.3843 176.5833 10 E 3.9949 8.0717 121.8486 58.9803 29.2807 179.1506 11 I 3.7081 7.6750 119.4174 64.4277 37.2481 178.3799 12 S 4.0988 8.0760 115.9758 61.5914 62.4478 176.6891 13 S 4.0721 7.8310 114.6278 61.4954 62.5891 176.3603 14 V 3.7736 7.9172 121.8296 64.8298 31.1683 178.3426 15 I 3.7299 8.0008 120.8537 64.0898 36.7513 178.4735 16 S 4.2573 8.0081 113.6896 60.6779 62.9477 175.7597 17 R 4.2564 7.5023 119.6780 55.7767 30.6235 176.6705 18 L 4.2500 7.3224 119.9397 54.5150 42.4080 176.4223 19 G 4.1566 9.0865 111.1463 43.0478 0.0000 171.8504 20 H 4.4456 8.6113 118.7290 58.0651 29.8176 175.4772 21 T 3.4627 8.9907 115.9803 61.6891 68.7985 171.9547 22 D 4.6653 7.9413 122.9522 54.8879 42.2239 175.4667 23 T 5.1261 8.4154 110.7107 59.9059 72.6128 172.4240 24 L 4.9907 8.7085 123.8752 53.4035 45.7650 175.0232 25 V 4.8654 8.7117 125.7785 61.1708 34.2396 174.2363 26 V 4.9385 8.7498 127.5152 61.3102 33.8512 174.1127 27 C 5.7549 9.1325 122.1257 56.3825 33.7735 172.8852 28 D 5.2161 9.3637 119.8075 52.0670 40.8612 177.3468 29 A 4.0405 9.0467 121.6351 54.2493 18.2815 178.5504 30 G 3.9512 8.0135 102.9072 44.9958 0.0000 173.7347 31 L 4.1849 7.5652 123.3312 53.8154 42.6798 174.8620 32 P 4.4600 0.0000 0.0000 62.5900 32.1189 175.6759 33 I 4.4405 7.9687 120.6927 58.7725 39.2072 174.0548 34 P 4.4343 0.0000 0.0000 62.4200 31.7352 177.0980 35 N 4.6392 8.5884 117.9999 54.2244 37.6726 175.8068 36 S 4.4502 7.9204 112.7016 59.4277 63.5820 173.6543 37 T 4.8241 7.4444 116.4707 61.5438 72.2154 173.6510 38 A 4.1709 8.2039 125.6861 52.0210 19.8662 176.5518 39 R 4.6233 8.5566 122.0663 54.8843 31.7376 175.6330 40 I 4.3382 8.7391 129.0717 59.8528 38.5980 174.6050 41 D 4.9179 8.5106 126.3795 52.8098 43.0321 175.3352 *43 A 4.0398 8.2816 123.6488 52.3056 19.1319 175.7374 44 L 4.2573 8.8037 124.6997 56.5628 43.1710 175.9256 45 T 4.4188 7.3731 109.9382 60.6053 70.1807 171.7572 46 Q 3.9975 8.6246 122.0246 57.8159 28.6270 178.1005 47 G 3.9037 9.3375 111.3827 45.3853 0.0000 172.9471 48 V 4.4641 8.0277 120.4507 60.2480 34.3452 173.4021 49 P 5.0654 0.0000 0.0000 62.1740 33.2959 175.7930 50 S 4.6583 9.3747 115.9952 57.2374 64.7687 175.2992 51 F 4.2467 9.0574 119.4295 59.5949 39.1373 176.8455 *53 Q 4.1900 8.1644 119.7763 55.6317 30.6865 177.8473 54 V 3.4778 7.5873 116.5138 65.9305 31.5467 178.0768 55 V 3.3793 7.5248 118.2141 65.9596 31.0235 177.2769 56 D 4.2536 7.8065 115.7128 57.4431 41.5221 177.9942 57 V 3.6899 7.7373 118.5008 65.9503 31.6493 177.9475 58 V 3.5958 8.0765 118.6644 66.2637 31.1829 177.6138 59 T 4.1932 7.8201 106.4375 63.3445 68.8862 176.3103 60 R 4.0963 7.7454 120.8346 58.1186 30.4454 176.6182 61 E 4.4854 7.8124 118.1533 55.8466 30.2226 176.2997 *63 Q 4.0904 7.9174 117.3215 55.9439 30.5930 174.9583 64 V 4.8493 8.5887 124.5310 61.2335 32.6025 174.9547 65 E 4.7025 9.3873 124.9725 56.7706 31.9727 175.2430 66 A 4.9017 7.6431 120.0153 50.9387 23.0634 174.7779 67 A 5.1144 9.3828 120.6812 50.3008 22.9752 175.2548 68 I 4.9764 9.0335 122.5681 59.5229 40.3065 174.9155 69 L 5.2899 8.6451 124.9531 52.5406 46.4458 175.8551 70 A 4.6589 8.1305 123.7643 52.1074 19.3850 179.0179 71 T 3.8412 9.0784 120.1203 66.8820 68.5363 176.7880 72 E 3.6559 7.8351 119.7245 58.9888 29.2099 178.9243 73 I 3.6362 7.5498 118.8215 63.6054 37.6768 178.0356 74 K 3.7408 7.4012 118.6351 59.5923 31.9972 178.8315 75 Q 4.1544 7.8000 115.8559 57.8296 29.1085 177.2807 76 Q 4.5038 7.6885 116.1335 55.6742 30.8488 175.6758 77 N 5.0169 8.1691 119.2880 50.7357 39.8355 173.3351 78 P 4.2745 0.0000 0.0000 66.0165 31.8635 178.0028 79 Q 3.9268 8.0414 118.8402 59.0194 28.9964 178.0551 80 L 3.9748 7.9720 120.8033 58.1328 42.2130 177.7577 81 H 4.1802 8.4853 118.6899 59.6046 29.6403 176.8408 82 E 3.8981 8.4447 120.0829 59.9004 29.3639 179.3448 83 T 3.8996 7.9047 115.6700 66.7506 68.4143 176.3708 84 L 4.0859 8.2716 122.1039 58.1508 42.1735 178.9558 85 L 4.0326 8.1113 118.9891 58.1406 41.5524 179.5899 86 T 3.8726 8.2821 116.0152 66.9081 68.3103 176.1145 87 H 4.3487 8.2840 120.0489 59.4354 29.9502 177.3986 88 L 3.9117 8.3752 121.1017 57.4732 41.2204 179.1186 89 E 3.9356 8.2861 119.6562 59.4469 29.5731 178.9605 90 Q 3.9915 8.0557 118.1528 58.5749 28.6910 178.3205 91 L 3.9636 8.1437 122.0345 58.1787 42.1496 179.0900 92 Q 4.2595 8.0289 118.9701 58.7600 28.2496 178.5334 93 Q 3.9430 7.6041 119.3021 59.2500 28.8738 178.2113 94 H 4.3417 8.0840 115.8262 58.8221 28.7780 177.4966 95 Q 4.2433 8.4626 119.2496 56.3056 28.6581 176.8685 96 G 3.8917 8.1001 107.6167 46.0291 0.0000 172.6164 97 N 5.0341 7.7295 117.2585 50.9564 40.2300 171.9078 98 T 4.7668 8.2756 111.7558 60.6055 69.4163 173.6139 99 I 4.3379 8.7144 130.9459 60.3433 37.9373 175.7943 100 K 4.2051 8.6865 129.7455 56.2478 33.2451 175.5162 101 I 5.0549 8.3598 127.9234 59.6006 39.6113 174.8820 102 S 4.6913 8.6255 119.8096 56.9683 67.0997 172.1934 103 Y 5.3776 8.5376 117.3371 56.5011 41.0385 174.9861 104 T 4.9771 8.9355 112.8840 59.4852 73.1358 173.4721 105 T 4.2224 8.4336 111.4800 61.7114 69.5560 174.6915 106 H 4.2237 8.9483 123.1646 59.6583 29.7791 177.5119 107 E 3.9716 8.2820 119.8573 59.6623 29.3595 179.0649 108 Q 4.0201 8.1461 119.4958 58.7954 29.0782 177.6900 109 F 4.0254 8.6082 122.3004 61.3850 39.2135 177.1801 110 K 4.0137 8.2526 116.7524 59.5232 32.1668 179.1009 111 K 4.1008 7.9221 118.1729 59.5524 31.9989 179.4349 112 L 3.9784 8.0273 119.3836 57.7772 41.5576 179.6226 113 T 3.7388 7.6850 109.5618 64.4380 68.3111 176.2943 114 A 4.0563 7.6656 122.7882 54.3340 18.4142 178.1565 115 D 4.6765 7.7150 115.3726 53.4325 41.5698 176.8617 116 S 4.9286 6.9990 113.9205 57.1112 64.2604 174.3556 117 Q 4.2706 8.9818 120.3694 58.8717 29.6278 176.0843 118 A 4.8967 7.6570 118.4642 50.9054 23.4588 175.4482 119 V 4.6367 8.7611 120.4217 61.2550 34.1077 174.6328 120 I 4.6871 9.0917 130.2758 60.0013 38.4806 174.7406 121 R 4.6892 8.8058 129.5301 55.4194 30.7843 176.2394 122 S 4.6572 8.7960 121.7771 56.7844 65.7165 174.0012 123 G 4.0207 8.8689 105.1871 46.3342 0.0000 173.3401 124 E 4.4857 8.3085 122.9218 56.7123 30.2916 176.9504 125 C 4.7760 8.7351 122.6209 59.5951 29.7485 174.3985 126 S 4.3319 7.6066 113.5444 57.0515 63.4223 172.2572 127 P 4.0975 0.0000 0.0000 63.7014 31.6162 175.8827 128 Y 3.4093 7.7532 117.6570 59.1782 35.6803 171.2644 129 A 3.9406 7.2899 121.4484 50.6473 16.1560 177.3022 130 N 5.6126 7.5216 116.8017 50.8293 43.2416 175.2878 131 V 5.0620 9.6021 122.2120 60.2954 35.6776 174.1326 132 I 4.7679 9.0041 124.2852 60.0930 38.9708 174.4689 133 L 5.0723 9.0415 127.9227 53.3576 44.0301 175.2096 134 C 5.2298 8.8666 121.0921 57.7508 30.9669 173.0945 135 A 4.6671 8.9961 126.3782 51.9320 19.1007 176.6533 136 G 4.3583 8.1564 107.2053 46.5277 0.0000 173.3262 137 V 4.4375 8.0447 113.5559 60.3677 35.5852 176.1638 138 T 4.0112 7.7274 117.3975 63.4033 67.8221 172.9534 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 -1 N 8.42 4.69 0.00 2.70 2.91 0.00 0.00 6.98 7.08 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 A 8.18 4.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 4.09 0.00 1.80 2.09 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 K 8.33 4.04 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.77 3.83 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 0.00 0.00 0.00 5 T 8.21 4.41 4.23 0.00 0.00 0.00 0.00 0.00 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 6 V 7.58 3.99 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 0.82 0.00 0.00 0.96 0.00 0.00 7 L 8.05 4.34 0.00 1.66 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.96 4.45 0.00 2.82 2.68 0.00 0.00 6.99 7.63 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 9 S 8.61 4.14 0.00 4.08 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 10 E 8.07 3.99 0.00 2.00 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 2.40 2.34 0.00 11 I 7.68 3.71 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 1.63 0.57 0.90 0.00 0.00 12 S 8.08 4.10 0.00 4.07 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 13 S 7.83 4.07 0.00 3.91 4.09 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 0.00 0.00 0.00 14 V 7.92 3.77 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 0.74 0.00 0.00 0.92 0.00 0.00 15 I 8.00 3.73 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 1.57 0.77 0.91 0.00 0.00 16 S 8.01 4.26 0.00 4.03 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 17 R 7.50 4.26 0.00 1.97 2.01 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 18 L 7.32 4.25 0.00 1.75 1.60 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.09 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 20 H 8.61 4.45 0.00 3.09 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.99 3.46 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 0.90 0.00 0.00 22 D 7.94 4.67 0.00 2.77 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 23 T 8.42 5.13 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 1.20 0.00 0.00 24 L 8.71 4.99 0.00 1.73 1.48 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.71 4.87 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 1.10 0.00 0.00 0.87 0.00 0.00 26 V 8.75 4.94 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 0.77 0.00 0.00 0.84 0.00 0.00 27 C 9.13 5.75 0.00 3.34 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 28 D 9.36 5.22 0.00 3.02 2.97 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 29 A 9.05 4.04 1.31 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 0.00 0.00 0.00 30 G 8.01 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 0.00 0.00 0.00 31 L 7.57 4.18 0.00 1.74 1.65 1.10 1.17 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 32 P 0.00 4.46 0.00 2.24 2.05 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 33 I 7.97 4.44 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 0.92 0.00 0.00 34 P 0.00 4.43 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 35 N 8.59 4.64 0.00 2.83 2.94 0.00 0.00 6.13 7.64 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 36 S 7.92 4.45 0.00 3.99 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 37 T 7.44 4.82 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 38 A 8.20 4.17 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 39 R 8.56 4.62 0.00 1.82 1.84 0.00 3.21 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 40 I 8.74 4.34 1.87 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 1.11 0.63 0.91 0.00 0.00 41 D 8.51 4.92 0.00 2.69 2.55 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 *43 A 8.28 4.04 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 44 L 8.80 4.26 0.00 1.59 1.87 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.37 4.42 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 46 Q 8.62 4.00 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 47 G 9.34 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 0.00 0.00 0.00 48 V 8.03 4.46 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 1.07 0.00 0.00 0.94 0.00 0.00 49 P 0.00 5.07 0.00 2.15 2.16 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 50 S 9.37 4.66 0.00 4.08 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 51 F 9.06 4.25 0.00 3.13 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 *53 Q 8.16 4.19 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 54 V 7.59 3.48 2.04 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 0.99 0.00 0.00 0.97 0.00 0.00 55 V 7.52 3.38 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 0.91 0.00 0.00 0.09 0.00 0.00 56 D 7.81 4.25 0.00 2.52 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 57 V 7.74 3.69 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 0.92 0.00 0.00 0.97 0.00 0.00 58 V 8.08 3.60 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 0.97 0.00 0.00 0.94 0.00 0.00 59 T 7.82 4.19 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 1.24 0.00 0.00 60 R 7.75 4.10 0.00 2.00 2.02 0.00 3.12 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 61 E 7.81 4.49 0.00 1.96 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 2.24 2.24 0.00 *63 Q 7.92 4.09 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 64 V 8.59 4.85 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 0.87 0.00 0.00 0.93 0.00 0.00 65 E 9.39 4.70 0.00 2.03 2.21 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 2.21 2.25 0.00 66 A 7.64 4.90 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 67 A 9.38 5.11 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 68 I 9.03 4.98 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.99 0.00 0.00 69 L 8.65 5.29 0.00 1.42 1.57 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.13 4.66 1.04 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 71 T 9.08 3.84 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 1.08 0.00 0.00 72 E 7.84 3.66 0.00 1.16 1.12 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 1.79 2.06 0.00 73 I 7.55 3.64 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.89 0.00 0.00 74 K 7.40 3.74 0.00 1.66 1.69 0.00 1.39 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.21 7.81 75 Q 7.80 4.15 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 76 Q 7.69 4.50 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.29 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 77 N 8.17 5.02 0.00 2.80 2.62 0.00 0.00 6.82 7.09 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 78 P 0.00 4.27 0.00 2.31 2.43 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 79 Q 8.04 3.93 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 80 L 7.97 3.97 0.00 1.82 1.79 1.02 0.62 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 81 H 8.49 4.18 0.00 3.33 3.53 0.00 5.66 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 82 E 8.44 3.90 0.00 2.15 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 2.52 2.50 0.00 83 T 7.90 3.90 4.42 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.09 0.00 1.97 1.96 1.11 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.11 4.03 0.00 1.87 1.72 0.85 0.71 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 86 T 8.28 3.87 4.41 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 1.23 0.00 0.00 87 H 8.28 4.35 0.00 3.35 3.53 0.00 5.78 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 88 L 8.38 3.91 0.00 1.85 1.71 0.97 0.72 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 E 8.29 3.94 0.00 2.27 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 2.30 2.35 0.00 90 Q 8.06 3.99 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 91 L 8.14 3.96 0.00 1.71 1.75 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.03 4.26 0.00 2.58 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.33 0.00 93 Q 7.60 3.94 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 94 H 8.08 4.34 0.00 3.23 3.35 0.00 5.84 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.46 4.24 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.37 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 96 G 8.10 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 97 N 7.73 5.03 0.00 2.82 2.92 0.00 0.00 5.52 7.22 0.00 0.00 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 T 8.28 4.77 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 99 I 8.71 4.34 1.87 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 1.23 0.66 0.91 0.00 0.00 100 K 8.69 4.21 0.00 1.88 1.67 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 101 I 8.36 5.05 1.86 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 1.40 0.62 0.59 0.00 0.00 102 S 8.63 4.69 0.00 3.83 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 0.00 103 Y 8.54 5.38 0.00 2.87 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 0.00 104 T 8.94 4.98 4.32 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 1.27 0.00 0.00 105 T 8.43 4.22 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 1.23 0.00 0.00 106 H 8.95 4.22 0.00 3.37 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.28 3.97 0.00 2.06 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 2.46 2.36 0.00 108 Q 8.15 4.02 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 F 8.61 4.03 0.00 3.31 3.25 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 0.00 110 K 8.25 4.01 0.00 1.94 1.89 0.00 1.80 0.00 0.00 1.58 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.52 7.81 111 K 7.92 4.10 0.00 1.96 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.03 3.98 0.00 1.56 1.56 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.68 3.74 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 1.03 0.00 0.00 114 A 7.67 4.06 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 0.00 115 D 7.71 4.68 0.00 2.71 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 0.00 116 S 7.00 4.93 0.00 4.11 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 0.00 117 Q 8.98 4.27 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 118 A 7.66 4.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.76 4.64 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 1.11 0.00 0.00 0.95 0.00 0.00 120 I 9.09 4.69 1.87 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 1.11 0.47 0.90 0.00 0.00 121 R 8.81 4.69 0.00 1.84 1.85 0.00 3.27 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 122 S 8.80 4.66 0.00 4.09 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 0.00 123 G 8.87 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 0.00 124 E 8.31 4.49 0.00 2.37 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 2.29 2.39 0.00 125 C 8.74 4.78 0.00 2.86 2.90 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 0.00 126 S 7.61 4.33 0.00 3.75 3.84 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 0.00 127 P 0.00 4.10 0.00 2.16 1.87 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 128 Y 7.75 3.41 0.00 3.03 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 0.00 129 A 7.29 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.52 5.61 0.00 2.16 2.87 0.00 0.00 6.99 7.68 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 0.00 131 V 9.60 5.06 2.42 0.00 0.00 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 1.11 0.00 0.00 132 I 9.00 4.77 1.81 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.01 0.82 0.00 0.00 133 L 9.04 5.07 0.00 1.65 1.57 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 134 C 8.87 5.23 0.00 2.83 2.79 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 0.00 135 A 9.00 4.67 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 0.00 136 G 8.16 4.36 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 0.00 137 V 8.04 4.44 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 0.77 0.00 0.00 0.89 0.00 0.00 138 T 7.73 4.01 4.22 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.