NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0128 8.0549 117.9084 60.3391 33.6314 175.5519 4 I 4.1959 7.8882 122.7055 58.3582 37.1131 173.3045 5 N 5.0922 8.5660 120.5668 50.9395 39.6971 173.9075 6 T 4.4803 7.6113 109.8580 60.6619 72.0651 175.4206 7 F 4.2683 8.3918 120.0744 60.9812 39.0180 177.7544 8 D 4.5139 8.3161 118.0715 57.2235 40.7758 178.6015 9 G 3.7497 8.1934 106.2513 48.0394 0.0000 175.8429 10 V 3.6111 7.9489 121.0026 65.3043 31.4910 177.6079 11 A 4.0690 8.0265 120.5804 55.6500 17.8786 179.3152 12 D 4.2782 8.6843 117.3492 57.6242 40.8012 178.4812 13 Y 3.9705 8.0987 119.9092 60.6047 38.8459 178.1647 14 L 3.8905 8.2423 120.0285 58.0610 41.5954 179.6896 15 Q 3.8902 7.5110 116.1338 58.4184 28.5633 178.5718 16 T 3.6354 6.6888 114.6349 65.5209 68.9945 175.5074 17 Y 4.2546 7.3989 115.5205 57.3140 38.8322 175.2270 18 H 2.8104 7.3250 116.6141 55.4370 26.8529 174.4831 19 K 4.4759 7.3875 113.0391 56.2652 34.5714 174.7177 20 L 4.0982 8.4409 120.4592 53.6187 42.4148 175.3590 21 P 3.7096 0.0000 0.0000 62.3424 31.6776 177.3616 22 D 4.5723 8.3484 119.1446 56.1077 40.8391 176.8599 23 N 4.6058 7.9755 116.7538 53.0239 37.7950 173.4928 24 Y 5.2121 7.7061 117.6256 56.5617 40.7518 174.7799 25 I 5.0638 8.7043 115.9819 59.1318 41.6118 175.0029 26 T 4.5048 8.7497 114.5630 61.3722 70.0953 175.6988 27 K 4.0245 9.1274 121.3178 59.8208 32.0948 179.8631 28 S 4.1881 8.1484 113.8965 61.6119 62.7781 176.1942 29 E 3.9936 8.2003 121.5828 58.8993 29.1673 179.2040 30 A 4.0370 8.2623 120.9163 55.4286 18.6149 179.6743 31 Q 4.1606 9.0133 116.8107 59.2300 28.5668 179.0812 32 A 4.1483 7.8956 120.6427 54.4168 18.4566 178.6009 33 L 4.4711 7.4005 115.5072 54.7121 42.0130 177.4213 34 G 4.0326 7.8990 107.4906 44.7602 0.0000 173.7939 35 W 4.4647 8.0237 129.8605 57.1292 31.3215 175.6903 36 V 3.8184 8.7919 124.6547 60.5082 32.8310 175.6293 37 A 3.5351 7.5390 131.3695 55.2552 18.2363 179.3044 38 S 4.4528 7.8335 109.8374 60.5405 63.0189 174.9375 39 K 4.3709 7.7810 118.2383 55.2135 33.0940 176.3087 40 G 3.1698 7.4238 107.7611 46.3205 0.0000 174.1480 41 N 4.8854 8.0007 112.9384 52.2973 38.1007 176.0871 42 L 3.9194 8.4331 122.7801 59.0412 42.0296 178.6589 43 A 4.1142 8.0755 119.1021 54.3438 18.1405 179.0108 44 D 4.4352 7.9858 117.2885 56.9037 41.2360 178.4952 45 V 4.1639 7.7567 109.9710 61.6664 33.8990 176.5660 46 A 4.6564 8.2336 121.7576 49.4105 19.4498 173.0048 47 P 4.4673 0.0000 0.0000 62.7342 32.2187 177.1432 48 G 3.8437 8.8406 110.0683 46.0589 0.0000 172.9174 49 K 4.7398 7.5874 117.3419 54.5568 34.6398 175.8259 50 S 4.5286 8.4328 117.2062 56.4889 67.6813 173.4788 51 I 4.2741 7.8524 122.8672 61.3613 37.9555 175.3868 52 G 4.2121 9.1169 111.7799 47.0533 0.0000 173.4885 53 G 4.4175 9.7734 110.3398 44.8513 0.0000 174.3701 54 D 4.7124 8.1230 119.4221 53.8207 42.3253 175.9567 55 I 4.2662 8.3900 122.2991 61.6955 37.9707 175.1738 56 F 4.6752 8.8373 129.5026 56.5623 38.7368 175.3248 57 S 3.9028 8.1458 123.0705 60.9597 62.8646 175.7368 58 N 4.1224 6.7001 117.9547 54.8232 37.0346 176.1728 59 R 3.7042 7.1811 117.8847 59.6736 28.8477 181.6999 60 E 4.1115 8.1550 112.8958 56.2306 29.8957 179.4594 61 G 4.1721 8.7622 106.0991 47.3012 0.0000 175.4535 62 K 4.0938 7.5804 122.0423 58.3687 32.3029 177.9254 63 L 3.7602 7.4960 117.9623 52.0109 42.5364 174.7085 64 P 4.2868 0.0000 0.0000 62.8655 31.6576 176.5635 65 G 4.0750 8.3703 112.0044 44.5345 0.0000 172.5603 66 K 4.1444 7.8402 116.0907 55.1781 34.8035 174.1836 67 S 4.1755 8.7644 121.2533 59.9145 62.5440 174.2227 68 G 3.8309 9.0434 115.8605 45.1551 0.0000 172.3676 69 R 4.2211 7.8048 120.4824 54.6981 31.3655 175.2521 70 T 4.6263 8.1922 121.8726 61.5102 71.6399 173.1913 71 W 5.0583 8.6611 124.5777 55.1715 32.0941 175.1381 72 R 5.1972 8.6009 121.3384 54.3155 34.2641 173.9078 73 E 5.5250 8.9634 117.4957 55.0255 33.6268 174.4097 74 A 5.0093 8.8296 120.6468 50.7074 22.9395 175.6791 75 D 5.0829 9.5374 121.5347 54.2457 41.7481 175.8342 76 A 4.6552 8.2097 122.8290 50.4746 21.8623 175.5445 77 N 4.0713 9.4220 115.8182 54.3000 37.1785 173.8924 78 Y 4.5488 7.7450 118.1770 56.6586 40.3402 175.1051 79 T 4.0435 7.1964 114.3672 62.5978 70.6641 173.6912 80 S 4.1450 6.4596 112.2530 58.4626 65.7793 175.3934 81 G 3.8276 8.5226 107.1699 45.7417 0.0000 173.1573 82 F 4.3325 8.5581 119.0594 57.1357 39.6718 175.4821 83 R 4.2273 8.8559 123.2603 56.7724 30.6581 176.7723 84 N 4.9859 8.5392 118.2041 52.2746 39.8898 175.0165 85 S 4.2736 8.4803 113.7758 58.7010 64.8661 172.9228 86 D 5.1854 8.3027 122.3578 53.9801 42.2488 175.7510 87 R 5.0152 9.1454 121.9878 54.5858 34.9364 174.1124 88 I 4.9303 9.4017 124.6370 60.1540 39.4242 174.5272 89 L 5.4962 9.3654 127.6162 53.1638 43.9430 175.1188 90 Y 5.7322 9.2087 122.0340 55.4445 41.5547 175.2247 91 S 4.0370 8.5944 117.8982 56.2415 65.1516 175.2922 92 S 3.3566 7.6310 114.4662 60.3051 62.5775 174.9102 93 D 4.3880 7.1550 118.6445 52.1195 39.2794 175.8534 94 W 3.7851 6.6911 117.3724 58.3066 27.0075 174.1395 95 L 4.6117 7.6155 117.8068 54.2221 43.0214 176.4152 96 I 5.3301 8.5291 123.6200 59.9336 40.4753 174.2649 97 Y 5.2394 9.8222 124.3902 55.9329 42.1585 174.6769 98 K 5.2742 9.4444 120.0735 55.5640 36.4582 174.9832 99 T 4.9674 8.9856 115.5079 59.3527 70.7471 174.0517 100 T 5.0735 8.7820 115.5798 60.3411 70.0611 173.3991 101 D 4.7697 7.4750 121.7415 53.8320 39.7895 174.9838 102 H 3.7523 8.2318 110.5476 58.5461 26.6941 175.3748 103 Y 3.2573 7.4797 110.6524 59.1193 35.6592 171.7924 104 Q 4.1383 7.7900 119.5797 58.6121 29.1675 176.5061 105 T 4.6143 8.6988 107.4786 59.6847 72.3531 172.6077 106 F 5.4825 8.6150 120.7614 56.0593 42.8703 174.3826 107 T 4.9109 8.8474 111.6721 59.4478 72.3072 173.1644 108 K 3.5923 8.7617 125.5780 56.5552 32.2661 176.3684 109 I 4.4844 8.8174 118.6040 60.5554 39.5193 175.7056 110 R 4.1667 7.5482 124.8809 56.5270 31.0818 174.5376 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 V 8.05 4.01 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.89 4.20 1.81 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 1.51 1.12 0.98 0.00 0.00 5 N 8.57 5.09 0.00 2.75 2.81 0.00 0.00 6.42 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 6 T 7.61 4.48 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 1.22 0.00 0.00 7 F 8.39 4.27 0.00 3.17 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 8 D 8.32 4.51 0.00 2.76 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 9 G 8.19 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 0.00 0.00 0.00 10 V 7.95 3.61 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 0.92 0.00 0.00 1.07 0.00 0.00 11 A 8.03 4.07 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.28 0.00 2.94 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 13 Y 8.10 3.97 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 14 L 8.24 3.89 0.00 1.97 1.76 0.64 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.51 3.89 0.00 1.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 16 T 6.69 3.64 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 -0.10 0.00 0.00 17 Y 7.40 4.25 0.00 2.46 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 18 H 7.33 2.81 0.00 3.11 3.19 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.39 4.48 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.55 1.63 7.81 20 L 8.44 4.10 0.00 1.61 1.42 0.80 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.71 0.00 2.22 1.23 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.37 0.00 22 D 8.35 4.57 0.00 2.62 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 23 N 7.98 4.61 0.00 2.73 2.88 0.00 0.00 6.09 7.57 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 24 Y 7.71 5.21 0.00 2.83 2.87 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 25 I 8.70 5.06 1.90 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 1.16 0.57 0.92 0.00 0.00 26 T 8.75 4.50 4.55 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 1.33 0.00 0.00 27 K 9.13 4.02 0.00 1.98 2.14 0.00 1.88 0.00 0.00 2.13 0.00 0.00 3.15 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.79 1.63 7.81 28 S 8.15 4.19 0.00 4.10 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 0.00 29 E 8.20 3.99 0.00 2.24 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 2.36 2.36 0.00 30 A 8.26 4.04 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 31 Q 9.01 4.16 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.90 0.00 32 A 7.90 4.15 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 33 L 7.40 4.47 0.00 1.82 1.75 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.90 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 0.00 0.00 0.00 35 W 8.02 4.46 0.00 3.23 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 36 V 8.79 3.82 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 0.80 0.00 0.00 0.92 0.00 0.00 37 A 7.54 3.54 0.84 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 0.00 0.00 38 S 7.83 4.45 0.00 3.83 3.96 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 39 K 7.78 4.37 0.00 2.11 1.81 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.23 7.81 40 G 7.42 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 0.00 0.00 0.00 41 N 8.00 4.89 0.00 2.90 3.02 0.00 0.00 5.72 6.67 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 42 L 8.43 3.92 0.00 1.42 1.72 0.38 0.48 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 43 A 8.08 4.11 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 44 D 7.99 4.44 0.00 2.88 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 45 V 7.76 4.16 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 0.89 0.00 0.00 1.11 0.00 0.00 46 A 8.23 4.66 1.16 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 47 P 0.00 4.47 0.00 2.03 2.01 0.00 3.82 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 48 G 8.84 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 0.00 0.00 0.00 49 K 7.59 4.74 0.00 1.64 1.56 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.46 7.81 50 S 8.43 4.53 0.00 2.82 3.45 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 51 I 7.85 4.27 1.85 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.20 0.87 0.00 0.00 52 G 9.12 4.21 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 0.00 53 G 9.77 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 0.00 0.00 0.00 0.00 54 D 8.12 4.71 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.39 4.27 1.88 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 1.24 0.73 0.96 0.00 0.00 56 F 8.84 4.68 0.00 2.99 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 57 S 8.15 3.90 0.00 3.49 3.65 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 58 N 6.70 4.12 0.00 2.88 2.80 0.00 0.00 7.25 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 59 R 7.18 3.70 0.00 1.85 1.86 0.00 3.32 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 60 E 8.15 4.11 0.00 1.89 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 2.31 1.88 0.00 61 G 8.76 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 0.00 0.00 0.00 0.00 62 K 7.58 4.09 0.00 2.09 2.08 0.00 1.82 0.00 0.00 2.03 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.48 7.81 63 L 7.50 3.76 0.00 0.65 0.13 -0.63 -1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.29 0.00 2.29 2.12 0.00 3.20 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.08 0.00 65 G 8.37 4.08 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 0.00 0.00 0.00 66 K 7.84 4.14 0.00 1.73 1.57 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.27 7.81 67 S 8.76 4.18 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 68 G 9.04 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 69 R 7.80 4.22 0.00 1.56 1.95 0.00 3.28 0.00 0.00 2.88 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.88 0.00 70 T 8.19 4.63 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 1.13 0.00 0.00 71 W 8.66 5.06 0.00 3.51 3.06 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 0.00 0.00 0.00 72 R 8.60 5.20 0.00 0.67 1.38 0.00 2.95 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.00 73 E 8.96 5.53 0.00 2.19 2.12 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 2.50 2.39 0.00 74 A 8.83 5.01 0.96 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 0.00 0.00 75 D 9.54 5.08 0.00 2.64 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 76 A 8.21 4.66 0.29 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 0.00 0.00 77 N 9.42 4.07 0.00 2.83 2.87 0.00 0.00 6.84 7.34 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 78 Y 7.75 4.55 0.00 3.00 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 79 T 7.20 4.04 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 1.07 0.00 0.00 80 S 6.46 4.14 0.00 3.84 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.52 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 82 F 8.56 4.33 0.00 3.19 3.14 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 0.00 0.00 0.00 0.00 83 R 8.86 4.23 0.00 2.00 1.97 0.00 3.17 0.00 0.00 3.57 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 84 N 8.54 4.99 0.00 2.86 2.96 0.00 0.00 6.00 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 85 S 8.48 4.27 0.00 3.72 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 86 D 8.30 5.19 0.00 2.94 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 87 R 9.15 5.02 0.00 1.55 1.78 0.00 3.51 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 0.00 88 I 9.40 4.93 2.02 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 1.59 1.21 1.16 0.00 0.00 89 L 9.37 5.50 0.00 1.55 1.45 0.43 0.53 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 90 Y 9.21 5.73 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 91 S 8.59 4.04 0.00 2.73 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 92 S 7.63 3.36 0.00 3.69 3.73 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 93 D 7.16 4.39 0.00 2.68 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 0.00 0.00 0.00 0.00 94 W 6.69 3.79 0.00 3.54 3.42 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 0.00 95 L 7.62 4.61 0.00 1.79 1.96 1.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.53 5.33 1.98 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 1.42 1.25 1.15 0.00 0.00 97 Y 9.82 5.24 0.00 2.79 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 98 K 9.44 5.27 0.00 1.29 1.71 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.03 1.13 7.81 99 T 8.99 4.97 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 1.05 0.00 0.00 100 T 8.78 5.07 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 1.23 0.00 0.00 101 D 7.48 4.77 0.00 2.84 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 0.00 102 H 8.23 3.75 0.00 3.27 3.53 0.00 5.97 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 0.00 103 Y 7.48 3.26 0.00 3.22 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 0.00 104 Q 7.79 4.14 0.00 2.51 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 105 T 8.70 4.61 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 1.15 0.00 0.00 106 F 8.62 5.48 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.85 4.91 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 1.23 0.00 0.00 108 K 8.76 3.59 0.00 1.44 1.59 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.03 7.81 109 I 8.82 4.48 1.85 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 1.30 0.88 0.79 0.00 0.00 110 R 7.55 4.17 0.00 1.85 1.81 0.00 3.33 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.