NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9805 8.3549 109.7502 44.9336 0.0000 174.8805 2 L 4.2762 5.8342 117.3556 51.5640 43.7953 175.9134 3 S 4.5823 10.0524 118.3555 57.8370 66.3616 174.8654 4 D 4.5846 8.6908 122.6221 57.8800 40.7036 178.5467 5 D 4.4955 8.0856 117.1926 56.4014 41.3072 177.9860 6 E 3.9538 7.6683 118.0913 59.3287 29.6067 178.7175 7 W 4.4200 8.0627 119.0992 60.0761 29.1104 178.1510 8 N 4.4223 8.9671 116.6293 56.9282 37.5827 177.1755 9 H 4.2502 8.1989 117.3756 58.5223 28.7562 178.1617 10 V 3.7700 8.3606 120.5987 66.2123 31.5251 178.1857 11 L 4.3020 8.9494 119.2522 57.5202 41.1673 179.4829 12 G 3.8782 7.9711 105.2044 48.1408 0.0000 175.4891 13 I 3.8343 7.6220 122.0947 63.7086 37.1757 178.0554 14 W 4.1284 8.3937 129.0173 60.8747 30.1832 177.7589 15 A 3.9999 8.0591 119.1433 54.8633 17.8619 179.0782 16 K 4.0314 7.7523 115.0299 57.8441 32.4953 178.6766 17 V 3.5401 7.3517 119.2672 64.7995 31.7631 177.4331 18 E 3.6606 7.4702 117.7817 58.9175 29.0820 177.3423 19 P 4.3055 0.0000 0.0000 65.0056 31.8783 176.1629 20 D 4.9256 8.0322 118.3662 52.9118 42.2379 177.6761 21 L 3.7911 7.8588 122.9217 58.5613 41.9372 177.9547 22 S 4.2723 8.3691 115.3590 61.0204 62.7995 176.5938 23 A 3.9322 7.8604 122.5548 55.3823 18.2219 179.2600 24 H 4.0732 8.1311 114.4167 58.8523 28.7583 178.1200 25 G 3.6869 8.6104 107.8343 48.1274 0.0000 175.5134 26 Q 3.9181 8.0333 122.2559 58.5414 29.0369 177.7427 27 E 3.8728 8.0186 120.1048 58.9788 29.7425 179.1472 28 V 3.6571 7.8203 112.7754 64.0676 31.4579 178.6564 29 I 3.3874 7.4205 119.2810 64.1876 37.0614 178.3569 30 I 3.5001 7.5768 120.7049 64.5113 36.8139 178.7830 31 R 3.9298 7.9954 118.7635 58.7288 29.7051 178.8859 32 L 3.9602 7.6084 119.8929 58.4080 42.2188 179.2010 33 F 4.3519 7.7477 117.4607 60.4915 38.5713 177.5009 34 Q 4.0589 7.9278 118.4073 58.7542 29.0260 177.4672 35 L 4.3217 8.0236 119.2964 55.9354 42.9249 176.6492 36 H 4.6437 8.6986 116.3671 52.2704 29.4742 172.0312 37 P 4.9271 0.0000 0.0000 63.7691 31.3666 177.5656 38 E 4.0624 8.1625 117.2772 59.4968 29.7437 178.9999 39 T 3.7638 7.8859 110.6085 64.3733 68.8391 176.2820 40 Q 3.4259 8.0130 125.2267 59.2542 28.6823 178.3508 41 E 4.1103 7.9368 115.2847 58.4240 29.8472 181.6491 42 R 4.1371 7.9012 114.1107 57.9052 30.4301 176.8812 43 F 4.4405 7.9553 117.7402 54.8863 38.6867 175.5912 44 A 3.9368 8.5865 131.7203 55.7224 18.3876 180.8820 45 K 4.0286 7.8869 115.5043 56.8921 32.0082 179.7203 46 F 5.2120 8.3308 117.5338 58.1523 39.3666 178.0472 *47 K 3.8420 8.0673 126.8140 58.5942 31.3916 183.0887 *48 N 4.5996 8.1677 114.9798 54.8462 37.8603 178.0051 49 L 4.4637 7.4109 118.2826 55.6798 38.9490 177.0467 50 T 3.9452 8.0147 121.0989 67.2448 69.4664 176.6470 51 T 4.2658 7.6650 114.8684 60.5651 69.6590 178.2214 52 I 3.9488 8.3503 123.2607 67.0593 35.4557 178.5406 53 D 4.5946 8.0324 121.5365 58.1624 39.5341 180.9494 54 A 4.3102 7.4291 119.2626 54.5365 18.6248 179.6451 55 L 4.0433 7.7704 120.0769 58.6024 41.8135 179.9615 *56 K 4.0174 8.1498 122.6988 59.0726 31.5750 179.9650 57 S 4.8280 7.3720 110.1160 57.5562 63.9387 174.4074 58 S 4.4272 7.6635 121.1992 58.8199 63.7151 174.6815 59 E 4.3829 8.6433 127.0549 59.1794 30.0084 175.3741 60 E 4.2940 8.0498 117.5721 60.2735 29.6462 179.0596 61 V 3.1747 7.5829 118.3123 65.6843 31.4235 178.0332 62 K 3.8750 7.8210 118.8420 59.4243 32.0672 178.9538 63 K 3.9733 8.1469 118.8099 59.8138 31.9030 178.8774 64 H 4.4392 9.0075 119.1135 58.9780 29.8236 177.5130 65 G 3.5731 8.3387 107.8241 48.1421 0.0000 175.7412 66 T 3.9217 8.1623 118.4905 66.7093 68.4866 176.8825 67 T 3.9110 8.0018 117.6553 66.4040 68.5247 176.9304 68 V 3.5622 7.9638 120.3227 66.1820 31.6674 178.1738 69 L 4.1920 8.0908 118.6576 57.9586 41.5570 179.6319 70 T 3.9676 8.3490 115.8430 66.7945 68.5007 176.4743 71 A 4.0119 7.9671 122.4502 54.8637 18.2489 179.3247 72 L 3.6235 7.8474 118.8540 58.1938 42.0882 179.4124 73 G 2.9733 7.8764 105.4341 47.7356 0.0000 175.7439 74 R 3.8845 7.5063 119.0169 58.9857 30.2809 178.9988 75 I 3.8547 7.4490 119.4395 64.2021 37.1038 178.2979 76 L 3.9456 8.3062 120.5551 57.8261 41.1989 179.7724 77 K 3.8566 7.7873 116.9681 58.6768 31.9301 178.3388 78 Q 4.0595 7.5319 116.8450 54.1300 28.9791 177.0400 79 K 2.0000 7.6334 121.1626 57.0228 31.4577 178.3110 80 N 4.5350 8.4012 124.9257 56.1621 38.4633 174.7220 81 N 4.7401 7.3495 116.2120 51.6348 37.7277 173.8618 82 H 4.9981 7.8677 119.5584 54.6873 29.8957 176.7747 83 E 4.0932 8.6364 124.4440 61.2137 29.1795 179.3527 84 Q 4.1714 8.0666 118.5852 59.6267 28.2446 179.3049 85 E 4.4908 7.8220 116.8616 58.8760 30.0970 178.5936 86 L 4.2912 8.1510 121.1908 59.0403 42.0502 179.6926 87 K 4.2369 8.0817 122.6041 59.9083 31.7438 178.5291 88 P 4.7113 0.0000 0.0000 65.0798 31.2790 178.7633 89 L 4.0714 8.6197 119.6688 57.9272 42.0188 178.7797 90 A 4.3386 8.1051 120.2582 55.3518 18.4302 179.0544 91 E 2.5400 8.7559 117.6746 59.2957 29.4278 179.9828 92 S 3.6826 7.7909 113.5343 61.6653 63.2186 176.1950 93 H 4.0533 8.7025 119.6985 57.9545 28.1544 177.6198 94 A 2.5800 7.5776 122.2028 54.3046 18.8187 179.0934 95 T 3.9277 7.9093 106.6557 63.1314 69.4324 174.9112 96 K 4.0791 7.3949 119.1804 58.2547 33.8358 177.1915 97 H 4.0915 8.1581 119.2216 56.6923 29.6483 175.8930 98 K 2.7818 7.2528 116.9826 56.8651 28.5460 175.6456 99 I 4.3216 7.9118 118.8930 58.8898 38.4876 175.0995 100 P 4.4441 0.0000 0.0000 62.5540 32.0787 177.7815 101 V 3.6333 8.2646 120.0637 65.9854 31.3215 178.4259 102 K 3.7707 7.8276 119.0865 59.4660 32.0233 178.2503 103 Y 4.2642 7.7577 116.9057 60.7382 37.7485 178.0825 104 L 4.2043 7.9512 120.0247 57.8506 41.8239 179.2033 105 E 4.1061 8.1502 117.3178 59.2688 29.7183 178.9785 106 F 4.5316 8.0039 118.7865 60.7664 39.0619 177.4186 107 I 3.8505 8.2857 118.0106 64.4824 37.6612 177.7704 108 C 4.3568 8.5305 120.1674 63.3428 27.9023 176.5511 109 E 4.1336 8.4323 120.1663 61.1936 29.3270 182.1742 110 I 4.0688 7.8982 120.2510 64.0343 37.1440 178.5632 111 I 3.7112 8.0201 120.9293 64.3973 37.0090 178.3938 112 V 3.8278 7.7665 121.5435 66.6656 31.2785 178.6568 113 K 4.0259 8.0856 123.2307 60.0639 31.5942 180.9046 114 V 3.7743 8.4306 120.1086 65.8667 31.4025 178.2136 115 I 3.6763 7.9229 119.3774 64.0477 36.5895 178.3288 116 A 4.3313 7.9800 120.8941 55.1761 18.3894 178.7978 117 E 4.0365 8.1682 116.7668 59.6261 29.8186 178.9920 118 K 4.1105 7.9466 116.0480 57.8882 33.6882 176.8800 119 H 4.9820 8.1954 116.0763 53.2410 29.3291 172.2312 120 P 4.3597 0.0000 0.0000 65.7662 31.4881 178.3479 121 S 4.4663 8.0487 110.8930 59.0430 63.7893 174.2234 122 D 4.6886 8.0780 119.7605 55.4858 41.9521 176.4357 123 F 4.7511 8.6087 122.5784 57.1227 37.8031 175.2774 124 G 3.9891 8.6086 114.1257 42.0721 0.0000 170.6356 125 A 3.9382 8.3796 120.7908 55.6467 18.0364 179.6667 126 D 4.1736 7.8892 116.6922 57.4216 40.9684 179.0328 127 S 4.0848 7.7938 114.3345 61.4583 63.1282 176.3917 128 Q 3.2605 8.4058 122.5738 58.1832 28.2766 178.5130 129 A 3.8495 7.9151 121.5661 55.1575 18.4651 179.5599 130 A 3.7862 7.9521 119.3148 55.3683 18.4275 179.4911 131 M 4.0206 8.5202 117.1467 58.6736 32.2797 178.5522 132 K 3.9968 7.9988 118.5325 59.6594 32.3293 179.5292 133 K 3.9148 8.1922 118.2922 59.2674 31.8853 179.3197 134 A 3.9533 7.7855 121.3139 54.9885 18.2183 179.6000 135 L 4.2101 8.1609 117.4188 57.5092 41.7283 179.2312 136 E 3.9773 8.6149 120.1457 59.0937 29.5996 178.5635 137 L 4.0601 8.1404 120.5555 57.8146 42.0692 178.7819 138 F 4.2138 8.1611 120.4918 61.1131 39.2820 177.0002 139 R 3.3946 8.3072 118.6682 59.3828 29.7289 178.1723 140 N 4.1920 7.9735 115.9310 56.5776 38.6383 177.1318 141 D 4.3048 8.0377 120.0859 57.5302 40.7723 178.9586 142 M 3.7355 7.9742 119.2403 58.3040 31.7039 178.4234 143 A 3.5634 7.4074 119.4570 55.3375 18.6423 179.6366 144 S 4.1733 8.2050 113.6503 61.7426 62.9530 177.0672 145 K 3.9348 8.1496 121.1211 59.4953 31.7288 178.7957 146 Y 4.8028 8.6129 120.0616 62.0807 37.8293 179.5954 147 K 4.0903 8.0513 123.9973 59.7058 31.5045 180.0672 148 E 4.3463 7.5332 115.4886 56.8889 29.2477 177.1125 149 F 4.9272 7.6663 116.0470 56.6934 40.4394 175.8237 150 G 3.9381 8.2438 108.4510 45.7746 0.0000 173.2357 151 F 4.8930 8.1463 122.9967 56.9736 40.8848 176.0972 *152 Q 4.0868 7.6255 126.4091 57.1478 28.6958 175.1146 153 G 3.8473 6.9055 111.0896 45.4301 0.0000 173.5708 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 G 8.35 3.98 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 0.00 0.00 0.00 2 L 5.83 4.28 0.00 0.70 0.84 0.69 -0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 3 S 10.05 4.58 0.00 4.02 3.98 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 4 D 8.69 4.58 0.00 2.78 2.85 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 5 D 8.09 4.50 0.00 2.87 2.69 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 6 E 7.67 3.95 0.00 1.93 1.69 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 2.23 2.27 0.00 7 W 8.06 4.42 0.00 3.59 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 8 N 8.97 4.42 0.00 2.87 2.89 0.00 0.00 7.04 8.74 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 9 H 8.20 4.25 0.00 3.49 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.36 3.77 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 1.26 0.00 0.00 0.87 0.00 0.00 11 L 8.95 4.30 0.00 1.81 1.82 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.97 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 0.00 0.00 0.00 13 I 7.62 3.83 1.92 0.00 0.00 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 1.95 1.17 0.70 0.00 0.00 14 W 8.39 4.13 0.00 3.61 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 15 A 8.06 4.00 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 0.00 0.00 0.00 0.00 0.00 16 K 7.75 4.03 0.00 1.61 1.72 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.52 7.81 17 V 7.35 3.54 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 0.00 0.00 0.03 0.00 0.00 0.43 0.00 0.00 18 E 7.47 3.66 0.00 1.90 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 2.17 2.24 0.00 19 P 0.00 4.31 0.00 1.98 2.08 0.00 3.47 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 20 D 8.03 4.93 0.00 2.64 2.61 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 21 L 7.86 3.79 0.00 1.52 1.60 0.99 1.07 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 22 S 8.37 4.27 0.00 3.87 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 23 A 7.86 3.93 1.27 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 0.00 0.00 24 H 8.13 4.07 0.00 3.32 3.29 0.00 5.83 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 25 G 8.61 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 26 Q 8.03 3.92 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 27 E 8.02 3.87 0.00 2.03 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 2.23 2.33 0.00 28 V 7.82 3.66 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 0.93 0.00 0.00 1.00 0.00 0.00 29 I 7.42 3.39 1.55 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.05 0.00 0.00 30 I 7.58 3.50 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.14 0.85 0.00 0.00 31 R 8.00 3.93 0.00 1.98 1.94 0.00 3.24 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 32 L 7.61 3.96 0.00 1.89 1.59 1.07 0.91 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 33 F 7.75 4.35 0.00 3.10 3.09 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 34 Q 7.93 4.06 0.00 2.09 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 35 L 8.02 4.32 0.00 1.77 1.28 0.86 1.24 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 36 H 8.70 4.64 0.00 2.98 2.97 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.93 0.00 2.07 2.08 0.00 4.10 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.87 0.00 38 E 8.16 4.06 0.00 2.33 2.33 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 2.27 2.61 0.00 39 T 7.89 3.76 4.46 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 0.83 0.00 0.00 40 Q 8.01 3.43 0.00 1.31 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.83 0.00 0.00 0.00 0.00 0.00 1.93 1.16 0.00 41 E 7.94 4.11 0.00 2.05 1.86 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 2.26 2.16 0.00 42 R 7.90 4.14 0.00 1.83 1.79 0.00 3.36 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.07 0.00 43 F 7.96 4.44 0.00 3.23 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 44 A 8.59 3.94 1.27 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 0.00 0.00 45 K 7.89 4.03 0.00 1.79 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.03 7.81 46 F 8.33 5.21 0.00 3.07 2.91 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 *47 K 8.07 3.84 0.00 1.72 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.30 7.81 *48 N 8.17 4.60 0.00 2.74 2.76 0.00 0.00 6.68 7.79 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 49 L 7.41 4.46 0.00 1.72 1.66 0.79 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.01 3.95 4.33 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 1.21 0.00 0.00 51 T 7.66 4.27 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 52 I 8.35 3.95 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 1.50 0.54 0.90 0.00 0.00 53 D 8.03 4.59 0.00 2.68 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 54 A 7.43 4.31 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 55 L 7.77 4.04 0.00 1.92 1.65 1.09 0.86 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 *56 K 8.15 4.02 0.00 1.83 1.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.34 7.81 57 S 7.37 4.83 0.00 4.00 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 58 S 7.66 4.43 0.00 3.95 3.60 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 59 E 8.64 4.38 0.00 2.01 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 2.27 1.96 0.00 60 E 8.05 4.29 0.00 2.14 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 2.54 2.53 0.00 61 V 7.58 3.17 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 0.77 0.00 0.00 0.07 0.00 0.00 62 K 7.82 3.88 0.00 1.83 1.77 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 K 8.15 3.97 0.00 2.16 1.91 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.63 7.81 64 H 9.01 4.44 0.00 3.52 3.53 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 65 G 8.34 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.92 4.43 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 1.22 0.00 0.00 67 T 8.00 3.91 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 1.25 0.00 0.00 68 V 7.96 3.56 2.27 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 1.09 0.00 0.00 0.96 0.00 0.00 69 L 8.09 4.19 0.00 1.86 2.04 0.96 0.77 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 70 T 8.35 3.97 4.50 0.00 0.00 0.00 0.00 0.00 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 71 A 7.97 4.01 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 72 L 7.85 3.62 0.00 1.69 1.68 0.28 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.88 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 0.00 0.00 0.00 74 R 7.51 3.88 0.00 1.96 2.11 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 75 I 7.45 3.85 1.81 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 1.51 1.26 0.87 0.00 0.00 76 L 8.31 3.95 0.00 1.10 1.59 0.25 0.80 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 77 K 7.79 3.86 0.00 1.68 1.79 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.42 7.81 78 Q 7.53 4.06 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 5.81 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 79 K 7.63 2.00 0.00 1.07 0.74 0.00 1.38 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.83 0.95 7.81 80 N 8.40 4.53 0.00 2.71 2.91 0.00 0.00 6.67 8.00 0.00 0.00 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 N 7.35 4.74 0.00 2.58 2.72 0.00 0.00 6.77 7.86 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 82 H 7.87 5.00 0.00 3.22 3.36 0.00 5.48 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.64 4.09 0.00 2.15 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 0.00 2.40 1.94 0.00 84 Q 8.07 4.17 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 85 E 7.82 4.49 0.00 2.13 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 2.31 2.46 0.00 86 L 8.15 4.29 0.00 1.85 1.75 0.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.08 4.24 0.00 1.78 1.78 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.41 7.81 88 P 0.00 4.71 0.00 2.19 2.16 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 89 L 8.62 4.07 0.00 1.80 1.87 1.01 1.13 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 90 A 8.11 4.34 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 0.00 0.00 0.00 0.00 0.00 91 E 8.76 2.54 0.00 2.03 1.67 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 1.47 2.03 0.00 92 S 7.79 3.68 0.00 3.91 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 93 H 8.70 4.05 0.00 3.63 3.65 0.00 5.80 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 94 A 7.58 2.58 0.99 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 0.00 0.00 95 T 7.91 3.93 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 0.88 0.00 0.00 96 K 7.39 4.08 0.00 1.52 1.39 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.15 1.19 7.81 97 H 8.16 4.09 0.00 2.93 3.12 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.25 2.78 0.00 1.98 1.62 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.01 7.81 99 I 7.91 4.32 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.48 1.20 0.00 0.00 100 P 0.00 4.44 0.00 1.79 1.75 0.00 3.24 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.56 0.00 101 V 8.26 3.63 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 0.92 0.00 0.00 0.82 0.00 0.00 102 K 7.83 3.77 0.00 1.79 1.59 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.10 7.81 103 Y 7.76 4.26 0.00 3.25 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 0.00 104 L 7.95 4.20 0.00 1.96 1.76 0.64 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.15 4.11 0.00 2.28 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 0.00 2.20 2.32 0.00 106 F 8.00 4.53 0.00 3.27 3.02 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 0.00 107 I 8.29 3.85 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 1.14 0.00 0.00 108 C 8.53 4.36 0.00 3.28 3.08 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 0.00 109 E 8.43 4.13 0.00 1.99 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 2.24 2.22 0.00 110 I 7.90 4.07 2.08 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 1.57 0.72 0.92 0.00 0.00 111 I 8.02 3.71 1.95 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 1.48 1.05 1.02 0.00 0.00 112 V 7.77 3.83 2.35 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 1.24 0.00 0.00 1.11 0.00 0.00 113 K 8.09 4.03 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.33 7.81 114 V 8.43 3.77 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 0.94 0.00 0.00 0.93 0.00 0.00 115 I 7.92 3.68 1.40 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.17 0.00 0.00 116 A 7.98 4.33 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 0.00 117 E 8.17 4.04 0.00 2.27 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 2.32 2.37 0.00 118 K 7.95 4.11 0.00 1.75 1.57 0.00 1.20 0.00 0.00 1.32 0.00 0.00 2.80 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 1.48 7.81 119 H 8.20 4.98 0.00 3.25 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.20 2.23 0.00 3.77 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 2.01 1.98 0.00 121 S 8.05 4.47 0.00 4.02 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 0.00 122 D 8.08 4.69 0.00 2.76 2.81 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 0.00 0.00 0.00 123 F 8.61 4.75 0.00 2.89 3.03 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 0.00 124 G 8.61 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 0.00 0.00 0.00 125 A 8.38 3.94 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 0.00 126 D 7.89 4.17 0.00 2.68 2.49 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 0.00 127 S 7.79 4.08 0.00 4.27 4.30 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 0.00 128 Q 8.41 3.26 0.00 1.66 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.00 129 A 7.92 3.85 1.27 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 0.00 0.00 130 A 7.95 3.79 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 0.00 131 M 8.52 4.02 0.00 2.46 2.44 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 132 K 8.00 4.00 0.00 2.03 1.85 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.76 7.81 133 K 8.19 3.91 0.00 1.89 1.73 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.39 7.81 134 A 7.79 3.95 1.27 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 0.00 0.00 135 L 8.16 4.21 0.00 1.91 1.85 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.61 3.98 0.00 2.25 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 2.32 2.33 0.00 137 L 8.14 4.06 0.00 1.88 1.99 1.00 1.12 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 0.00 138 F 8.16 4.21 0.00 3.18 3.29 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 0.00 139 R 8.31 3.39 0.00 2.17 1.83 0.00 3.14 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 140 N 7.97 4.19 0.00 3.00 2.80 0.00 0.00 7.07 8.13 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 0.00 141 D 8.04 4.30 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.97 3.74 0.00 1.29 1.58 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.95 0.00 143 A 7.41 3.56 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 0.00 144 S 8.21 4.17 0.00 3.81 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 0.00 145 K 8.15 3.93 0.00 2.08 2.07 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.36 7.81 146 Y 8.61 4.80 0.00 3.13 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 0.00 147 K 8.05 4.09 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.36 7.81 148 E 7.53 4.35 0.00 1.24 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 2.18 2.12 0.00 149 F 7.67 4.93 0.00 3.19 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 0.00 150 G 8.24 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.15 4.89 0.00 2.79 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 *152 Q 7.63 4.09 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.18 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 153 G 6.91 3.85 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 0.00 * Residues marked with a * may have inaccurate shift predictions.