NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9144 8.2133 109.7402 45.0517 0.0000 175.3471 4 W 4.4032 8.7025 123.5201 58.8634 30.0287 176.7540 5 S 4.5153 8.9913 114.0170 60.3443 63.4805 174.6591 6 N 4.4701 7.8839 117.0528 55.2948 38.5248 175.8425 7 F 4.4742 7.5112 116.0742 57.8402 39.6103 174.8080 8 K 4.2704 9.2336 125.8288 57.8860 33.0927 176.7107 9 F 5.2048 8.1205 116.6780 55.9093 43.4723 174.6471 10 L 4.8618 9.0029 122.1040 55.0184 43.8857 173.6125 11 F 5.0920 8.8841 121.1397 55.8720 41.8278 172.8898 12 L 5.1715 8.6217 119.5266 53.1216 43.6320 176.8335 13 S 3.9716 8.9720 117.9184 56.4072 64.2791 173.6422 14 P 4.2780 0.0000 0.0000 65.1340 31.2079 178.0561 15 G 3.6031 7.7453 104.9465 46.3438 0.0000 174.2692 16 G 3.9020 8.0623 108.5608 44.8279 0.0000 173.0926 17 E 4.5816 7.8218 120.0167 54.7412 31.4585 175.3281 18 L 4.6292 8.7039 127.0714 55.0761 43.7358 174.9680 19 Y 5.1671 9.1305 123.4589 56.1254 41.6021 174.9608 20 G 4.4540 9.4275 110.5006 44.6027 0.0000 171.5383 21 V 4.8551 9.3448 127.1427 62.4128 33.0298 174.5869 22 L 4.8549 9.5629 129.9784 53.8862 45.2448 176.1101 23 N 4.1138 9.8206 124.3547 54.5497 36.3894 174.4928 24 D 4.9169 8.0336 115.9075 54.1565 42.1383 172.9200 25 K 5.1221 8.3561 117.4354 55.3176 35.6560 174.7354 26 I 4.8887 7.4728 121.5090 59.5334 40.7289 173.9538 27 Y 5.2777 8.7950 124.6049 56.3357 42.6431 174.2656 28 K 5.5173 8.1532 119.2159 54.9775 36.5923 175.3414 29 G 4.3674 8.2876 109.9797 46.0589 0.0000 172.0927 30 T 4.5391 8.3974 110.9516 60.6348 69.5828 172.7453 31 P 4.3566 0.0000 0.0000 62.0505 32.0233 174.7523 32 P 5.1782 0.0000 0.0000 62.6304 31.9764 176.2005 33 T 4.5144 8.4652 106.9101 61.5631 69.5770 173.4473 34 H 4.6057 7.4215 117.7613 56.8885 34.9001 172.5888 *37 D 4.2221 7.7376 123.1526 54.3325 41.3455 174.5501 38 N 4.6941 8.5056 126.2127 51.6810 39.0274 174.3806 39 W 4.3431 8.8496 135.0000 60.6522 30.7476 177.0750 40 L 3.7139 8.1678 118.7385 57.9259 41.4949 178.8594 41 G 3.6922 7.9989 105.1567 46.6933 0.0000 175.0290 42 R 4.3938 7.2412 115.8522 54.8897 30.5673 175.3985 43 A 4.1072 6.9063 120.3072 50.6216 20.7247 177.5982 44 K 4.0146 8.4106 123.8201 55.6296 33.2420 176.0823 45 K 4.1209 8.6891 130.3606 56.2466 32.5165 176.1722 46 I 4.5735 8.0685 119.5989 60.1551 38.5257 175.2482 47 G 4.3257 7.3964 107.7942 45.7252 0.0000 173.6657 48 D 5.0307 10.1474 120.9208 51.9013 42.1853 175.3866 49 G 4.3598 9.6320 106.9487 45.0197 0.0000 174.1678 50 G 3.7726 9.2347 109.6080 45.0640 0.0000 175.1908 51 W 5.0027 7.9740 118.1401 57.9082 29.9517 177.3409 52 N 4.7936 8.8788 116.7932 55.5823 38.2366 177.2044 53 Q 4.0543 7.3936 114.7653 58.2585 28.6897 176.8999 54 F 4.7862 7.4831 116.8833 57.3935 39.7528 175.4982 55 Q 4.3344 8.9491 124.3369 58.0106 29.5317 176.3593 56 F 5.2551 8.2248 115.5198 55.7562 43.7349 174.4436 57 L 4.4861 8.2199 123.0302 53.9067 44.2834 174.7153 58 F 4.7984 8.5213 120.9986 55.6331 41.4948 173.4122 59 F 5.2287 9.1139 119.8985 56.9969 40.5785 175.1715 60 D 5.0673 9.2490 122.5313 51.5906 41.5569 175.6711 61 P 4.4617 0.0000 0.0000 65.2033 31.4161 177.5834 62 N 4.5519 8.4123 113.7782 54.0530 38.6434 175.6380 63 G 4.0140 8.3860 106.2955 45.7769 0.0000 172.8497 64 Y 4.4810 8.9916 117.9595 56.9105 39.8048 174.2140 65 L 4.4378 9.1792 126.1273 53.7818 44.0191 174.6156 66 Y 4.9794 8.8106 124.6059 56.4426 40.5854 174.6641 67 A 5.0413 8.7222 123.3770 50.7287 23.4833 175.1838 68 V 5.2278 8.9099 121.5332 61.3586 34.7963 174.4146 69 S 4.7965 9.8095 121.3068 57.7371 66.1066 173.9931 70 K 3.7763 8.6641 125.4433 58.1919 29.6464 174.3094 71 D 4.5825 8.1217 111.7116 55.0170 39.1833 174.1671 72 K 4.6651 8.4893 117.9311 54.4482 36.2680 174.8039 73 L 5.2209 8.2449 125.1132 53.6698 44.5610 174.5643 74 Y 5.3049 9.4725 123.2599 56.2775 42.3008 174.5065 75 K 5.2139 8.5940 121.8154 54.4971 36.1638 174.8722 76 A 4.7259 8.3224 126.8819 50.8053 22.2493 173.4276 77 P 4.7286 0.0000 0.0000 61.7767 31.8950 175.2931 78 P 4.3743 0.0000 0.0000 61.9524 31.5957 174.1622 79 P 4.8705 0.0000 0.0000 63.6714 31.4041 176.4962 80 Q 4.2262 9.4160 122.9887 58.5628 29.2267 175.9517 81 S 4.5759 7.5170 109.9673 57.1818 65.2502 175.1161 82 D 4.7124 8.6604 120.1484 55.4405 39.0554 177.0745 83 T 4.1556 7.6933 109.3809 62.2500 69.4422 174.2008 84 D 4.6171 8.2919 123.5326 53.4697 41.3007 176.3921 85 N 4.7147 8.5075 128.5761 51.6845 37.3644 174.3105 86 W 4.2517 8.3756 132.5654 60.7730 30.5870 176.3997 87 I 3.3383 8.0459 117.3319 64.1839 37.1053 177.5736 88 A 4.2237 7.6279 121.0987 54.0258 18.2681 178.0914 89 R 4.3076 7.5667 110.5736 55.6340 30.9242 176.2100 90 A 3.6902 6.6096 121.5017 52.0955 19.2773 177.3230 91 T 4.1380 8.3518 118.1272 62.5873 69.7813 173.9930 92 E 4.0492 8.8313 128.9599 56.2375 29.8157 176.1507 93 I 4.2933 8.5412 120.2674 59.9967 39.0015 176.0945 94 G 4.1265 7.9580 116.9609 46.2432 0.0000 173.3318 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 3 G 8.21 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 0.00 0.00 0.00 4 W 8.70 4.40 0.00 3.59 3.36 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 5 S 8.99 4.52 0.00 3.93 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 6 N 7.88 4.47 0.00 2.46 2.74 0.00 0.00 6.98 6.96 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 7 F 7.51 4.47 0.00 3.33 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 8 K 9.23 4.27 0.00 1.74 1.93 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.66 0.87 7.81 9 F 8.12 5.20 0.00 3.33 3.19 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 10 L 9.00 4.86 0.00 1.55 1.55 0.03 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.88 5.09 0.00 3.24 3.17 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 0.00 12 L 8.62 5.17 0.00 1.57 1.60 0.89 0.82 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 13 S 8.97 3.97 0.00 2.72 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 14 P 0.00 4.28 0.00 2.02 2.15 0.00 3.29 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 15 G 7.75 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 0.00 0.00 0.00 16 G 8.06 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 17 E 7.82 4.58 0.00 1.98 1.89 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 2.27 2.24 0.00 18 L 8.70 4.63 0.00 1.71 1.78 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 9.13 5.17 0.00 1.73 2.29 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 20 G 9.43 4.45 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 0.00 21 V 9.34 4.86 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 1.35 0.00 0.00 1.32 0.00 0.00 22 L 9.56 4.85 0.00 1.36 1.58 0.46 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.82 4.11 0.00 2.89 2.84 0.00 0.00 7.14 8.06 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 24 D 8.03 4.92 0.00 3.28 2.92 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 0.00 0.00 0.00 25 K 8.36 5.12 0.00 1.71 1.61 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.60 7.81 26 I 7.47 4.89 0.79 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.57 -0.37 0.00 0.00 27 Y 8.79 5.28 0.00 3.24 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 28 K 8.15 5.52 0.00 0.89 0.82 0.00 1.27 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.00 0.97 7.81 29 G 8.29 4.37 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 0.00 30 T 8.40 4.54 4.29 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 1.23 0.00 0.00 31 P 0.00 4.36 0.00 2.02 1.93 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 32 P 0.00 5.18 0.00 2.27 2.36 0.00 3.05 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 33 T 8.47 4.51 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 1.16 0.00 0.00 34 H 7.42 4.61 0.00 3.15 3.21 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *37 D 7.74 4.22 0.00 2.86 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 38 N 8.51 4.69 0.00 2.76 2.76 0.00 0.00 7.16 7.95 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 39 W 8.85 4.34 0.00 3.78 3.41 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 40 L 8.17 3.71 0.00 1.64 1.55 0.59 0.45 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 41 G 8.00 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 42 R 7.24 4.39 0.00 1.81 1.93 0.00 3.01 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.41 0.00 43 A 6.91 4.11 0.30 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 0.00 0.00 44 K 8.41 4.01 0.00 1.75 1.56 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.30 7.81 45 K 8.69 4.12 0.00 1.75 1.63 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 0.99 7.81 46 I 8.07 4.57 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.58 0.83 0.00 0.00 47 G 7.40 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 0.00 0.00 0.00 0.00 48 D 10.15 5.03 0.00 2.70 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 G 9.63 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 50 G 9.23 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 51 W 7.97 5.00 0.00 3.52 3.49 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 52 N 8.88 4.79 0.00 2.94 2.94 0.00 0.00 6.60 7.04 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 53 Q 7.39 4.05 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.84 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 54 F 7.48 4.79 0.00 3.29 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 55 Q 8.95 4.33 0.00 1.95 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 56 F 8.22 5.26 0.00 3.17 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 57 L 8.22 4.49 0.00 0.27 0.24 0.10 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.52 4.80 0.00 3.01 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 59 F 9.11 5.23 0.00 3.09 3.07 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 60 D 9.25 5.07 0.00 3.03 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 61 P 0.00 4.46 0.00 2.14 2.21 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 62 N 8.41 4.55 0.00 3.18 3.05 0.00 0.00 7.07 7.65 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 63 G 8.39 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 64 Y 8.99 4.48 0.00 3.37 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 65 L 9.18 4.44 0.00 1.11 1.67 0.14 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.81 4.98 0.00 1.43 1.74 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 67 A 8.72 5.04 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 68 V 8.91 5.23 2.59 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 1.22 0.00 0.00 1.23 0.00 0.00 69 S 9.81 4.80 0.00 3.72 3.71 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 70 K 8.66 3.78 0.00 2.06 1.87 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.37 7.81 71 D 8.12 4.58 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 72 K 8.49 4.67 0.00 1.85 1.27 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.34 7.81 73 L 8.24 5.22 0.00 1.80 1.48 1.12 0.95 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 74 Y 9.47 5.30 0.00 2.99 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 75 K 8.59 5.21 0.00 1.35 1.32 0.00 1.30 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.95 0.21 7.81 76 A 8.32 4.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.73 0.00 2.01 2.00 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 78 P 0.00 4.37 0.00 2.47 2.30 0.00 3.94 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 79 P 0.00 4.87 0.00 2.46 2.44 0.00 3.57 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.32 0.00 80 Q 9.42 4.23 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 81 S 7.52 4.58 0.00 3.96 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 82 D 8.66 4.71 0.00 2.99 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 83 T 7.69 4.16 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 84 D 8.29 4.62 0.00 2.70 2.96 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 0.00 0.00 0.00 85 N 8.51 4.71 0.00 2.88 2.72 0.00 0.00 6.75 7.95 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 86 W 8.38 4.25 0.00 3.73 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 87 I 8.05 3.34 1.83 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.77 0.00 0.00 88 A 7.63 4.22 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 89 R 7.57 4.31 0.00 1.77 1.94 0.00 2.79 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.00 90 A 6.61 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.35 4.14 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 1.15 0.00 0.00 92 E 8.83 4.05 0.00 1.83 1.72 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 1.83 1.65 0.00 93 I 8.54 4.29 1.84 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 1.23 0.83 0.83 0.00 0.00 94 G 7.96 4.13 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 0.00 * Residues marked with a * may have inaccurate shift predictions.