NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3817 0.0000 0.0000 62.4239 32.8838 175.3770 3 H 4.5014 8.5670 114.8531 55.9594 30.0657 173.1643 4 H 5.3791 10.4325 121.0678 54.3317 31.2896 173.2585 5 I 4.7911 8.8489 124.7993 59.3503 40.1692 174.7679 6 V 4.7737 8.4692 125.5412 61.1826 34.3329 174.0716 7 I 4.6465 8.9419 128.8527 59.7775 39.3881 174.7861 8 V 4.6513 8.9086 128.0843 61.3993 32.9705 173.6148 9 E 4.7915 8.9049 128.1182 55.3163 32.1731 174.7455 10 D 4.4220 8.9311 127.2613 56.5903 41.7302 176.7996 11 E 4.2391 8.8356 121.5330 54.6858 30.2995 175.2668 12 P 4.2689 0.0000 0.0000 65.9654 31.3733 178.6904 13 V 3.5657 7.9646 117.5074 65.9856 31.5873 177.8663 14 T 3.8689 8.6738 115.9393 66.7616 68.3531 176.2227 15 Q 3.9829 8.2397 121.0734 59.2370 29.1223 178.3143 16 A 4.0508 8.2750 121.8691 55.1918 18.3387 179.8783 17 R 3.9195 8.2426 116.6920 59.3334 30.1798 179.3357 18 L 4.2237 8.1824 119.0426 57.9285 41.6566 179.5990 19 Q 4.1883 8.3354 117.7035 59.2602 28.5742 178.5454 20 S 4.0729 8.1303 114.9661 61.3594 62.0038 175.4910 21 Y 3.9669 8.2372 122.4148 60.8608 38.3619 178.0433 22 F 4.5579 8.4838 118.5035 60.5685 39.0261 177.9947 23 T 4.0475 8.4176 115.9914 66.7638 68.0378 176.7590 24 Q 4.0824 7.9581 118.7861 58.5750 28.7680 177.7617 25 E 4.2005 7.5802 116.3597 56.5364 29.6663 177.5904 26 G 3.8711 7.9467 108.0760 45.0646 0.0000 173.6013 27 Y 4.7371 6.9994 116.8646 58.1424 39.1805 175.2868 28 T 4.4751 9.0247 119.2826 62.7479 70.0257 174.0741 29 V 4.9692 8.5362 126.1785 61.1723 34.2159 174.6702 30 S 4.9683 9.1117 123.0456 56.8233 66.3956 173.4522 31 V 4.9820 8.2103 114.9698 60.3450 35.2715 174.3748 32 T 4.5657 8.8165 116.4508 61.4836 71.3749 173.4733 33 A 4.7037 8.5520 123.8458 51.2651 20.0482 176.1716 34 S 4.8004 7.6213 111.6052 56.2190 67.3373 175.1073 35 G 3.6143 9.1963 109.4761 47.9613 0.0000 175.9885 36 A 4.0892 8.7674 123.7190 54.8807 18.5027 179.9583 37 G 4.0055 8.4230 106.0282 47.2426 0.0000 175.7369 38 L 3.9505 7.7843 121.7551 58.0954 42.2464 178.8891 39 R 4.0443 7.9846 117.0082 59.1862 30.0286 178.3956 40 E 4.1303 8.0379 118.1569 59.1632 29.9146 180.1567 41 I 3.7659 7.4651 117.8233 61.8367 37.0352 177.7720 *43 Q 4.2684 8.0725 119.4325 55.4710 30.4220 175.6544 44 N 4.8927 7.8655 113.3488 52.9942 40.1823 174.3599 45 Q 4.5128 7.3517 113.4133 55.0522 30.8818 173.7309 46 S 4.3344 8.3252 114.2172 57.8863 63.2721 173.5426 47 V 4.4145 7.9753 124.5324 61.2952 34.1200 174.8795 48 D 4.6797 9.0441 127.0450 56.3892 42.4772 176.3650 49 L 4.9842 7.5317 118.5431 53.7314 45.8917 174.2439 50 I 4.8641 8.8172 126.4815 59.4654 40.6764 174.3137 51 L 4.8481 8.7753 127.3827 53.1116 43.5137 175.3057 52 L 4.9290 8.8206 126.9107 52.8867 44.5530 175.2425 53 D 5.4730 8.8041 126.7835 54.0184 42.1270 177.1797 54 I 3.7908 8.4208 125.3378 64.2069 38.5537 175.1163 55 N 4.7889 8.5477 121.4568 52.5761 37.4981 173.6595 56 L 4.9316 7.8944 124.0628 51.6667 45.3832 175.4291 57 P 4.3929 0.0000 0.0000 65.0723 31.6992 176.8816 58 D 4.6604 8.0448 116.6351 54.1065 40.6486 175.7523 59 E 4.6242 7.6201 119.8849 52.6110 32.6340 174.5233 60 N 4.2975 9.0136 123.0456 54.2218 39.4477 175.1374 61 G 3.8156 9.0058 113.7349 47.8448 0.0000 175.8397 62 L 3.9378 9.1199 118.4351 55.6739 41.1148 178.7772 *64 L 4.2655 8.0087 121.1419 55.2941 43.7719 179.2468 65 T 3.8647 8.0106 115.3883 66.8071 68.4053 176.8795 66 R 3.9298 7.8288 117.7529 59.1020 29.2618 178.5596 67 A 4.1416 7.9214 120.2588 54.9303 18.7886 179.1725 68 L 4.0589 8.1576 117.6290 58.1002 41.4347 179.8567 69 R 4.1184 8.1687 118.4742 59.2351 29.7490 178.2521 70 E 4.1276 8.2217 117.7626 58.5259 29.4271 177.8257 71 R 4.4846 7.3901 116.4056 56.0983 32.2232 176.0141 72 S 4.7089 7.7282 110.1643 56.6309 65.3825 173.2763 73 T 4.3871 8.3959 114.5054 61.2903 68.9102 174.9612 74 V 3.5792 7.8391 122.2709 62.5292 31.7183 176.4406 75 G 3.7617 8.8283 111.2371 46.6959 0.0000 172.3930 76 I 5.0929 9.1694 124.4424 59.4834 41.3072 174.2568 77 I 4.8777 8.6292 128.0684 59.4116 39.9136 175.0439 78 L 4.8247 9.0428 128.0106 54.1302 43.5123 176.0350 79 V 4.6636 8.5882 122.3147 61.3835 34.4437 174.2658 80 T 4.8280 8.5775 121.2149 60.5003 70.9901 174.3005 81 G 3.8150 8.9568 116.0114 46.2097 0.0000 174.6835 82 R 4.4221 7.7787 118.0423 53.5658 30.9297 180.2348 83 S 4.2903 8.5472 118.7700 58.1254 62.9364 174.1187 84 D 4.5129 8.4596 124.7665 52.3722 44.7484 175.9017 85 R 3.8429 8.6531 127.6964 59.3953 30.1967 178.3914 86 I 3.6819 7.7481 112.5965 63.9304 37.6633 177.7473 87 D 4.3528 8.6199 120.8269 57.1208 40.6706 178.7939 88 R 2.5789 7.6436 118.9260 59.0602 29.9726 178.6895 89 I 3.5927 7.6907 119.7137 64.2486 36.8878 178.5746 90 V 3.6438 7.8125 118.2243 65.8841 31.7090 177.8348 91 G 3.8881 8.3454 105.7570 47.9986 0.0000 175.5730 92 L 4.0697 7.7306 120.4535 57.0895 41.9279 180.9985 93 E 4.2810 8.3686 119.9487 55.6805 29.3042 178.1518 *95 G 3.8183 8.0235 105.9639 44.5711 0.0000 173.7071 96 A 4.1243 7.7657 123.5169 52.2503 18.8219 177.9277 97 D 4.5895 8.8679 123.1505 57.3218 41.6407 175.8251 98 D 4.7165 7.7786 115.8482 53.5646 45.1408 173.4472 99 Y 5.2125 8.4552 121.9234 56.1188 41.5420 174.4799 100 V 4.6914 8.6518 119.5548 59.7191 36.1162 174.6362 101 T 4.9703 8.2848 113.0533 59.7967 70.9918 174.3099 102 K 4.4767 9.0503 124.1786 55.5199 32.9413 175.3950 103 P 4.4811 0.0000 0.0000 62.1817 32.2881 176.1405 104 L 4.0875 8.2311 120.7613 54.8096 42.3495 178.0108 105 E 4.3003 8.5259 123.1747 55.4073 29.0342 177.1452 106 L 3.9785 8.1933 126.4350 57.8987 42.6145 178.5410 107 R 3.7764 7.9097 117.6704 59.0481 30.0279 178.3872 108 E 3.9068 8.0898 118.6694 59.1995 29.6460 178.4377 109 L 3.9491 7.9921 120.3424 58.0944 42.0956 178.9593 110 V 3.6050 7.6163 118.1855 66.1380 31.2482 178.2496 111 V 3.5947 7.6332 117.3954 65.8869 31.2841 178.0622 112 R 3.9200 8.2040 118.0540 59.3236 29.8785 179.1416 113 V 3.5138 8.2512 118.2347 65.7936 31.5533 177.6343 114 K 3.9941 8.3227 119.4837 60.0848 32.0062 178.4387 115 N 4.4980 8.5109 116.6559 56.0760 38.3256 177.3316 116 L 4.0542 8.2957 122.1359 58.0994 42.2489 178.9853 117 L 3.9263 8.2139 119.2139 57.4632 41.2914 179.2155 118 W 4.1912 8.1451 127.4570 60.5753 30.8322 177.7287 119 R 3.6888 8.2650 118.6857 59.3630 29.3249 178.5800 120 I 3.7884 7.8839 119.0504 63.8906 37.1708 177.1804 121 D 4.5961 7.6179 117.1416 54.7676 40.9005 176.4485 122 Q 3.8778 7.3988 124.2006 56.0321 28.7038 175.7503 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 P 0.00 4.38 0.00 2.25 2.18 0.00 3.72 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 1.84 2.00 0.00 3 H 8.57 4.50 0.00 3.52 3.24 0.00 5.78 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 4 H 10.43 5.38 0.00 3.09 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.85 4.79 1.68 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.30 0.60 0.00 0.00 6 V 8.47 4.77 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 1.05 0.00 0.00 0.91 0.00 0.00 7 I 8.94 4.65 1.88 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 1.07 0.56 0.92 0.00 0.00 8 V 8.91 4.65 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 0.93 0.00 0.00 0.91 0.00 0.00 9 E 8.90 4.79 0.00 1.95 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 2.29 2.48 0.00 10 D 8.93 4.42 0.00 2.69 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 11 E 8.84 4.24 0.00 2.03 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 2.29 2.45 0.00 12 P 0.00 4.27 0.00 2.31 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 13 V 7.96 3.57 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 1.07 0.00 0.00 0.97 0.00 0.00 14 T 8.67 3.87 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 1.23 0.00 0.00 15 Q 8.24 3.98 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 16 A 8.28 4.05 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 17 R 8.24 3.92 0.00 2.06 2.06 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 18 L 8.18 4.22 0.00 1.97 1.94 0.97 0.94 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 Q 8.34 4.19 0.00 2.42 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 20 S 8.13 4.07 0.00 4.02 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 21 Y 8.24 3.97 0.00 3.08 2.40 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 22 F 8.48 4.56 0.00 3.41 3.34 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 23 T 8.42 4.05 4.53 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 1.26 0.00 0.00 24 Q 7.96 4.08 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 25 E 7.58 4.20 0.00 1.96 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 2.63 2.49 0.00 26 G 7.95 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 27 Y 7.00 4.74 0.00 3.16 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 28 T 9.02 4.48 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 1.32 0.00 0.00 29 V 8.54 4.97 2.18 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 0.89 0.00 0.00 1.17 0.00 0.00 30 S 9.11 4.97 0.00 3.77 3.70 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 31 V 8.21 4.98 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 0.72 0.00 0.00 0.99 0.00 0.00 32 T 8.82 4.57 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 1.27 0.00 0.00 33 A 8.55 4.70 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 34 S 7.62 4.80 0.00 4.35 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 35 G 9.20 3.61 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 0.00 0.00 0.00 36 A 8.77 4.09 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.42 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 0.00 0.00 0.00 38 L 7.78 3.95 0.00 1.64 1.89 0.90 0.78 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 39 R 7.98 4.04 0.00 1.95 1.98 0.00 3.22 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 40 E 8.04 4.13 0.00 1.95 2.13 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 2.32 2.39 0.00 41 I 7.47 3.77 2.00 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 1.52 0.48 0.95 0.00 0.00 *43 Q 8.07 4.27 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.88 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 44 N 7.87 4.89 0.00 2.79 2.82 0.00 0.00 6.79 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 45 Q 7.35 4.51 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 46 S 8.33 4.33 0.00 3.82 3.74 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 47 V 7.98 4.41 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 0.89 0.00 0.00 0.90 0.00 0.00 48 D 9.04 4.68 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 49 L 7.53 4.98 0.00 1.53 1.22 0.78 0.71 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 50 I 8.82 4.86 1.82 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 1.18 0.50 0.87 0.00 0.00 51 L 8.78 4.85 0.00 1.46 1.52 0.58 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.82 4.93 0.00 1.66 1.46 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.80 5.47 0.00 2.98 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 54 I 8.42 3.79 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.45 0.98 0.00 0.00 55 N 8.55 4.79 0.00 2.69 2.88 0.00 0.00 7.04 7.37 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 56 L 7.89 4.93 0.00 1.81 1.52 1.00 1.10 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 57 P 0.00 4.39 0.00 2.17 2.18 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 58 D 8.04 4.66 0.00 2.77 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 59 E 7.62 4.62 0.00 1.89 1.80 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 2.17 2.25 0.00 60 N 9.01 4.30 0.00 2.72 2.75 0.00 0.00 7.04 7.98 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 61 G 9.01 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 62 L 9.12 3.94 0.00 1.79 1.71 0.99 0.07 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 *64 L 8.01 4.27 0.00 1.90 1.75 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.01 3.86 4.49 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 1.22 0.00 0.00 66 R 7.83 3.93 0.00 2.13 2.19 0.00 2.78 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 67 A 7.92 4.14 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 68 L 8.16 4.06 0.00 1.84 1.71 0.90 1.09 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 69 R 8.17 4.12 0.00 1.96 1.98 0.00 3.14 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 70 E 8.22 4.13 0.00 2.17 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 0.00 2.34 2.42 0.00 71 R 7.39 4.48 0.00 1.85 1.94 0.00 3.27 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 72 S 7.73 4.71 0.00 3.77 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 73 T 8.40 4.39 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 1.19 0.00 0.00 74 V 7.84 3.58 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 0.64 0.00 0.00 0.96 0.00 0.00 75 G 8.83 3.76 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 0.00 76 I 9.17 5.09 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 1.20 0.98 0.90 0.00 0.00 77 I 8.63 4.88 1.81 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 1.21 0.79 0.93 0.00 0.00 78 L 9.04 4.82 0.00 1.65 1.55 1.04 0.50 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 79 V 8.59 4.66 2.02 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 0.88 0.00 0.00 0.88 0.00 0.00 80 T 8.58 4.83 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 0.94 0.00 0.00 81 G 8.96 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 82 R 7.78 4.42 0.00 1.80 1.72 0.00 3.29 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 83 S 8.55 4.29 0.00 3.87 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 84 D 8.46 4.51 0.00 2.90 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 0.00 0.00 0.00 0.00 85 R 8.65 3.84 0.00 1.89 1.88 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 86 I 7.75 3.68 1.85 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 1.64 0.84 0.90 0.00 0.00 87 D 8.62 4.35 0.00 2.98 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 88 R 7.64 2.58 0.00 0.79 1.62 0.00 2.97 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.00 89 I 7.69 3.59 1.80 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 1.48 0.65 0.87 0.00 0.00 90 V 7.81 3.64 2.18 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 0.81 0.00 0.00 0.93 0.00 0.00 91 G 8.35 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 92 L 7.73 4.07 0.00 1.59 1.73 0.85 0.91 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 93 E 8.37 4.28 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 2.40 2.45 0.00 *95 G 8.02 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 96 A 7.77 4.12 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 97 D 8.87 4.59 0.00 2.67 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 98 D 7.78 4.72 0.00 2.71 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 99 Y 8.46 5.21 0.00 2.93 2.68 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 0.00 0.00 0.00 0.00 100 V 8.65 4.69 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 0.71 0.00 0.00 0.93 0.00 0.00 101 T 8.28 4.97 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 1.22 0.00 0.00 102 K 9.05 4.48 0.00 1.60 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.35 7.81 103 P 0.00 4.48 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 104 L 8.23 4.09 0.00 1.68 1.66 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.53 4.30 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 2.39 2.36 0.00 106 L 8.19 3.98 0.00 1.81 1.76 0.97 1.14 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 0.00 107 R 7.91 3.78 0.00 1.91 1.97 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 108 E 8.09 3.91 0.00 2.02 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 2.38 2.37 0.00 109 L 7.99 3.95 0.00 1.93 1.82 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.62 3.61 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 0.82 0.00 0.00 -0.58 0.00 0.00 111 V 7.63 3.59 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 1.04 0.00 0.00 0.95 0.00 0.00 112 R 8.20 3.92 0.00 2.18 1.99 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 113 V 8.25 3.51 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 0.80 0.00 0.00 0.81 0.00 0.00 114 K 8.32 3.99 0.00 2.06 2.05 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.60 7.81 115 N 8.51 4.50 0.00 2.93 2.91 0.00 0.00 6.74 7.60 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 0.00 116 L 8.30 4.05 0.00 1.86 1.80 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.21 3.93 0.00 1.86 1.51 0.55 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 118 W 8.15 4.19 0.00 3.29 3.44 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 0.00 119 R 8.27 3.69 0.00 2.33 2.21 0.00 3.18 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 120 I 7.88 3.79 1.84 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 1.50 0.82 0.89 0.00 0.00 121 D 7.62 4.60 0.00 2.80 2.65 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 0.00 122 Q 7.40 3.88 0.00 1.83 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.