NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.4137 8.3649 120.1904 54.2156 42.6057 173.9115 *7 H 4.6254 8.2847 113.7305 56.0882 30.4887 172.4645 8 I 4.9248 8.1735 122.2212 59.9958 39.1836 174.6706 9 Y 4.3765 9.6106 124.5491 56.1987 40.7312 173.9695 10 E 5.0316 9.0501 125.6314 54.3147 31.8171 174.7169 11 L 4.8936 8.8708 127.0933 52.9943 44.3045 175.4970 12 V 4.8261 8.6264 122.9381 61.0617 34.5228 174.5017 13 S 5.0958 9.2506 122.6103 56.6857 64.3265 173.0651 14 R 4.6267 8.7985 126.7575 56.1060 30.7796 175.7142 15 D 4.7138 8.3483 120.3419 52.9583 44.2455 175.3684 16 R 4.1306 8.6747 122.8468 58.7558 30.4052 177.8841 17 T 4.3408 8.0269 104.4171 62.5635 71.2323 174.0006 18 H 4.9941 8.1058 117.4280 53.0668 28.5321 171.8423 19 P 4.6806 0.0000 0.0000 63.0225 32.8489 177.6740 20 V 4.4427 8.7879 120.7985 61.3243 34.5721 174.1732 21 R 5.0099 8.7644 126.3970 54.3690 32.6607 175.2120 22 I 4.5050 8.5138 124.2922 59.6028 40.5890 173.9327 23 Y 4.9542 8.6944 124.0793 56.2371 40.3806 174.5206 24 L 5.3681 9.3905 124.5421 52.9890 45.0943 175.5056 25 L 5.4640 9.3228 122.5321 53.5915 44.6272 175.0328 26 H 4.8989 9.1129 121.0130 54.6206 32.6036 173.8079 27 S 4.2967 8.7876 120.1526 60.7849 63.0628 174.4906 28 E 4.6709 8.2546 117.8717 54.5161 31.5082 174.3388 29 Y 4.5348 8.1916 122.2540 56.2055 39.8464 174.7503 30 W 4.5407 9.3072 128.3779 54.4550 31.7369 176.4926 31 T 4.0051 8.5560 113.6248 61.2639 70.2668 175.4007 32 E 4.0930 8.8775 121.0579 59.9331 29.4930 179.4040 33 D 4.5733 8.2602 118.0764 57.6791 41.0052 178.5826 34 E 4.1741 8.2477 118.6721 59.3750 29.2360 179.2576 35 F 4.1940 8.3095 119.8676 61.5062 39.8253 176.4236 36 Y 4.0812 8.2585 116.7014 61.2915 37.6229 178.4561 37 N 4.3569 8.7772 117.5905 56.3382 38.5017 177.4256 38 L 3.9376 7.8670 120.4732 57.5770 41.5226 179.5051 39 L 3.7216 7.5472 118.7990 57.6499 41.3817 179.4779 40 L 3.6454 7.5141 118.3499 57.5172 41.3388 178.9117 41 E 3.8717 8.1686 118.3279 59.4195 29.9212 178.5331 42 A 3.0221 7.9448 120.6780 54.8221 17.8233 179.5508 43 F 4.8138 8.2732 118.0223 60.3731 38.6772 177.7624 44 Q 4.0702 7.7763 117.1107 58.3387 28.5182 178.1433 45 R 4.4236 7.7063 117.1529 55.4700 31.7430 176.6168 46 S 4.5914 6.9704 113.1683 56.4252 64.6047 173.8907 47 S 4.6085 8.8931 116.4771 58.4858 63.2720 173.9507 48 A 4.4172 8.1705 121.4367 52.1227 18.6103 177.6523 49 S 4.2123 7.7040 114.2199 59.2805 63.4361 174.5611 50 D 4.6292 8.2732 122.2940 53.7502 42.6467 177.6202 51 W 4.3727 8.7353 129.7979 61.0731 30.4734 177.4110 52 H 4.2725 8.3847 113.4310 58.1362 28.0165 176.4878 53 L 4.1974 7.2931 120.6442 56.5131 42.3967 178.0508 54 Q 3.8304 7.9789 119.8134 59.2982 28.8205 178.3149 55 I 2.7034 7.1409 119.5552 63.9339 37.7203 177.8166 56 L 3.8742 7.4416 119.0712 57.6761 41.4010 179.3953 57 E 3.9543 7.8218 118.1695 59.2030 29.4528 179.2556 58 V 3.6359 8.2242 118.6706 66.0357 31.5415 177.6590 59 S 4.0058 8.1050 112.9019 61.7153 62.2158 176.2819 60 K 3.8830 8.0477 120.8176 59.7239 31.7467 178.7746 61 Y 4.0801 8.0666 119.7233 60.6151 38.8633 177.6886 62 L 3.8061 8.3147 120.4138 57.5894 41.6656 179.7436 63 V 4.0606 8.2425 119.8656 65.8259 31.3804 178.0587 64 T 4.1591 7.8023 107.1546 63.1095 69.0640 175.0073 65 A 4.4352 7.5298 122.3333 52.3164 20.5109 176.5205 66 H 4.8038 7.8243 109.6424 54.8148 30.6651 174.1323 67 G 3.8913 8.0407 105.7705 46.0022 0.0000 174.2227 68 F 4.4448 8.0369 117.8464 57.1390 40.6003 174.4055 69 V 4.5833 8.8446 121.0478 60.9097 34.5361 174.3318 70 E 4.6228 9.0542 128.9228 56.3275 30.1230 175.7769 71 A 4.6606 9.3052 129.1847 50.5985 20.2971 177.7601 72 G 3.6346 8.8537 108.3570 46.3325 0.0000 174.5697 73 G 3.8879 6.7963 104.9425 45.2050 0.0000 170.7492 74 L 4.4128 7.5841 120.4338 53.3477 44.9591 176.0011 75 Q 4.7138 8.3797 123.6290 54.1023 32.0273 174.4636 76 E 4.6456 8.3098 119.9767 54.6067 32.8625 174.5380 77 I 4.3887 8.1771 125.0952 59.3263 40.5900 175.1010 78 G 4.0565 7.7697 112.1674 43.7962 0.0000 171.5284 79 F 4.9459 8.2114 118.6819 54.4743 43.4303 172.9352 80 P 4.3938 0.0000 0.0000 62.7163 31.6617 178.2026 81 G 3.7145 8.7695 111.4554 48.4461 0.0000 174.2930 82 E 4.1730 8.0340 115.5951 57.0610 30.3174 176.7129 83 L 4.0913 7.4994 123.0403 54.7346 42.8755 177.2705 84 S 4.3809 8.3517 120.2837 57.9170 65.4176 175.3428 85 K 3.9223 8.4569 123.0564 59.5807 31.9770 179.3824 86 T 3.8348 7.7105 115.9268 66.7497 68.4820 176.4362 87 E 3.9955 8.1728 120.4887 58.9631 29.3736 179.4412 88 V 3.0206 7.5479 118.5331 65.8429 31.4514 177.8307 89 R 3.7999 7.6258 117.9417 59.7609 29.8090 178.6129 90 R 3.9312 7.7245 117.0759 59.3418 29.9290 179.3456 91 R 4.0917 8.2683 118.0811 59.0875 29.9854 179.1192 92 I 3.8406 8.0003 119.8021 64.5169 36.9842 178.1897 93 N 4.3543 8.4358 117.1441 56.3101 38.1718 177.1607 94 A 4.0423 8.2325 121.3386 55.1839 18.5011 179.2390 95 F 4.1837 8.3722 118.0285 61.6200 39.6505 176.9374 96 L 4.1144 8.2663 117.6533 58.1298 41.6146 177.5514 97 G 3.7675 8.8544 112.4844 45.5580 0.0000 173.4705 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 5 D 8.36 4.41 0.00 2.65 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 *7 H 8.28 4.63 0.00 3.50 3.30 0.00 5.65 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 8 I 8.17 4.92 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 1.38 0.56 1.11 0.00 0.00 9 Y 9.61 4.38 0.00 2.73 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 0.00 0.00 0.00 0.00 10 E 9.05 5.03 0.00 1.98 1.84 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 1.93 1.47 0.00 11 L 8.87 4.89 0.00 1.61 1.67 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.63 4.83 2.15 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 0.83 0.00 0.00 0.94 0.00 0.00 13 S 9.25 5.10 0.00 3.72 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 14 R 8.80 4.63 0.00 1.80 1.88 0.00 3.30 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 1.67 1.68 0.00 15 D 8.35 4.71 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 4.13 0.00 1.82 1.96 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 17 T 8.03 4.34 3.92 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 1.14 0.00 0.00 18 H 8.11 4.99 0.00 3.11 3.26 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.68 0.00 2.10 2.08 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 20 V 8.79 4.44 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 0.91 0.00 0.00 0.97 0.00 0.00 21 R 8.76 5.01 0.00 1.70 1.53 0.00 3.30 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 22 I 8.51 4.50 1.80 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 1.14 1.04 0.91 0.00 0.00 23 Y 8.69 4.95 0.00 2.92 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 24 L 9.39 5.37 0.00 1.82 1.83 0.68 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.32 5.46 0.00 1.61 1.62 0.96 1.14 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 26 H 9.11 4.90 0.00 2.58 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.79 4.30 0.00 3.88 3.92 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 28 E 8.25 4.67 0.00 1.54 1.54 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 2.27 2.11 0.00 29 Y 8.19 4.53 0.00 2.52 2.74 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 30 W 9.31 4.54 0.00 2.77 2.93 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 0.00 0.00 0.00 31 T 8.56 4.01 4.34 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 1.34 0.00 0.00 32 E 8.88 4.09 0.00 2.14 2.22 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 2.53 2.48 0.00 33 D 8.26 4.57 0.00 2.78 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 34 E 8.25 4.17 0.00 2.43 2.43 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 2.48 2.43 0.00 35 F 8.31 4.19 0.00 2.94 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 36 Y 8.26 4.08 0.00 3.14 2.80 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 37 N 8.78 4.36 0.00 2.88 2.92 0.00 0.00 7.09 6.74 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 38 L 7.87 3.94 0.00 1.80 1.51 -0.25 0.15 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 39 L 7.55 3.72 0.00 1.68 1.06 0.70 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.51 3.65 0.00 1.75 1.66 0.88 0.70 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 41 E 8.17 3.87 0.00 2.14 2.17 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 2.44 2.41 0.00 42 A 7.94 3.02 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 43 F 8.27 4.81 0.00 3.17 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 44 Q 7.78 4.07 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 45 R 7.71 4.42 0.00 1.66 1.92 0.00 3.06 0.00 0.00 2.85 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 46 S 6.97 4.59 0.00 4.19 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 47 S 8.89 4.61 0.00 3.91 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 48 A 8.17 4.42 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 49 S 7.70 4.21 0.00 3.77 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 50 D 8.27 4.63 0.00 2.65 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 51 W 8.74 4.37 0.00 3.35 3.10 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 52 H 8.38 4.27 0.00 3.31 3.45 0.00 5.57 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.29 4.20 0.00 1.53 1.61 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.98 3.83 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 55 I 7.14 2.70 0.56 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 1.21 0.95 0.54 0.00 0.00 56 L 7.44 3.87 0.00 1.78 1.62 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.82 3.95 0.00 2.11 1.99 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 2.36 2.46 0.00 58 V 8.22 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 1.09 0.00 0.00 1.22 0.00 0.00 59 S 8.11 4.01 0.00 3.93 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 60 K 8.05 3.88 0.00 2.02 1.88 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.59 7.81 61 Y 8.07 4.08 0.00 3.11 3.13 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 62 L 8.31 3.81 0.00 1.54 0.91 0.37 0.39 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 63 V 8.24 4.06 2.22 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 1.31 0.00 0.00 0.99 0.00 0.00 64 T 7.80 4.16 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 1.28 0.00 0.00 65 A 7.53 4.44 0.64 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 0.00 0.00 0.00 0.00 0.00 66 H 7.82 4.80 0.00 3.42 3.46 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.04 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 68 F 8.04 4.44 0.00 2.96 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 69 V 8.84 4.58 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 0.98 0.00 0.00 0.94 0.00 0.00 70 E 9.05 4.62 0.00 2.07 1.88 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 2.35 2.53 0.00 71 A 9.31 4.66 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.85 3.63 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 0.00 0.00 0.00 73 G 6.80 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 74 L 7.58 4.41 0.00 0.49 0.97 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.38 4.71 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.47 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 76 E 8.31 4.65 0.00 1.80 1.68 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 2.10 2.21 0.00 77 I 8.18 4.39 1.77 0.00 0.00 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 1.11 0.65 0.54 0.00 0.00 78 G 7.77 4.06 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 0.00 0.00 0.00 79 F 8.21 4.95 0.00 2.98 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 80 P 0.00 4.39 0.00 2.23 2.02 0.00 3.78 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 2.18 2.14 0.00 81 G 8.77 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 0.00 0.00 0.00 82 E 8.03 4.17 0.00 2.10 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 0.00 2.28 2.30 0.00 83 L 7.50 4.09 0.00 1.75 1.64 0.93 1.04 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 84 S 8.35 4.38 0.00 4.06 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 85 K 8.46 3.92 0.00 1.80 1.81 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 86 T 7.71 3.83 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 1.19 0.00 0.00 87 E 8.17 4.00 0.00 1.95 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 2.31 2.45 0.00 88 V 7.55 3.02 1.95 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 0.29 0.00 0.00 0.65 0.00 0.00 89 R 7.63 3.80 0.00 2.02 2.04 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 90 R 7.72 3.93 0.00 2.06 1.97 0.00 3.17 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 91 R 8.27 4.09 0.00 2.10 2.21 0.00 3.35 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 92 I 8.00 3.84 2.05 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 1.69 0.89 0.98 0.00 0.00 93 N 8.44 4.35 0.00 2.89 2.89 0.00 0.00 6.95 7.19 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 94 A 8.23 4.04 1.42 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 95 F 8.37 4.18 0.00 3.07 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 96 L 8.27 4.11 0.00 1.84 1.75 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.85 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 * Residues marked with a * may have inaccurate shift predictions.