NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 R 4.0979 8.3545 119.0691 54.2256 30.9622 174.5513 17 K 3.7815 9.0393 127.9964 54.6849 31.6954 174.6254 *18 F 4.2917 9.1282 125.8317 56.7980 40.6530 170.7247 19 H 4.7226 9.3652 120.4102 53.9345 29.9161 173.7073 20 V 4.8300 8.5748 124.2789 60.8407 34.1096 174.0394 21 L 5.3018 9.0426 130.1295 53.5431 44.2437 174.9297 22 V 4.7017 8.9833 128.0225 61.7304 32.8263 174.7266 23 G 4.3490 9.2819 116.2000 44.8731 0.0000 172.4838 24 V 4.7685 8.7854 123.3494 61.1178 34.9960 174.5241 25 T 5.6337 7.5264 116.5281 57.9875 72.5360 174.3165 26 G 3.9536 8.3787 108.9897 46.1033 0.0000 173.6183 27 S 4.5819 7.7100 113.1757 55.6881 64.8122 174.5532 28 V 2.0000 7.7975 124.9954 65.3994 30.9038 178.0729 29 A 3.8620 7.4593 120.4140 55.0897 18.1715 179.1380 30 A 4.1111 8.1677 119.2076 54.5348 18.1108 179.2350 31 L 4.6306 7.7238 122.6673 58.1718 42.0925 179.1259 32 K 4.3641 8.4891 121.3261 56.7030 31.8667 179.6813 33 L 4.0644 8.2368 122.9223 58.9530 41.8002 177.1224 34 P 4.2232 0.0000 0.0000 66.2439 31.2970 178.6421 35 L 3.9545 7.4604 120.6151 59.6770 40.7117 180.6910 36 L 4.1519 8.1079 123.1067 58.7517 41.8595 179.9397 *37 V 3.6819 7.7163 121.0870 66.9811 31.4010 181.0253 *38 S 4.4335 8.1255 120.6539 64.0405 62.0796 178.2461 39 K 4.4544 8.2263 128.4922 58.9162 31.5757 182.6544 40 L 4.5108 8.6515 129.0831 59.1179 41.6786 181.1063 41 L 4.5831 7.8136 120.9444 55.5664 40.2743 180.5197 *45 G 4.1330 8.2622 114.4537 43.8009 0.0000 169.7231 46 L 5.0703 7.7071 118.4970 53.5724 43.9447 175.1586 47 E 4.8401 9.5842 116.4866 54.8303 32.3789 175.3181 48 V 5.7696 8.6771 121.3108 60.6325 35.4753 173.8518 49 A 4.6854 8.4264 121.3326 50.8971 22.4913 175.3219 50 V 4.9074 8.4129 121.1248 61.1990 34.6818 174.6046 51 V 5.5811 9.1004 126.8901 60.6206 33.9381 174.6928 52 T 5.3751 8.7232 117.6821 60.3496 71.6146 173.0986 53 T 4.4917 8.1792 111.5769 60.2465 71.5149 176.0893 54 E 3.9145 8.8369 120.4822 59.7357 30.0247 179.7778 55 R 3.8729 8.2270 117.0750 59.4150 30.7293 178.6055 56 A 4.5640 7.8335 120.3327 55.2081 18.0924 180.1197 57 K 3.2025 7.7602 118.2027 58.3052 31.7291 179.2632 58 H 4.3233 8.2722 117.6093 57.7385 30.1873 175.1147 59 F 4.8656 8.3716 118.1357 58.0381 40.2475 174.1504 60 Y 5.1552 7.1531 117.0819 55.9166 41.0273 173.7663 61 S 4.7050 8.5227 115.4997 55.9081 65.6814 173.4168 62 P 4.4579 0.0000 0.0000 65.9075 31.2910 178.4526 63 Q 3.9800 8.3852 116.5381 60.0767 28.2927 177.9823 64 D 4.5682 8.0870 113.5605 53.7330 39.4495 178.7529 65 I 4.4948 7.6307 120.1832 59.6534 38.6503 175.4096 66 P 4.5950 0.0000 0.0000 61.6454 30.0777 175.7506 67 V 4.4360 7.1141 115.9204 62.3613 35.3831 173.3531 68 T 3.8573 8.3420 119.0227 63.3660 69.2249 173.3546 69 L 4.9413 8.2237 128.8675 53.6143 43.8327 174.7770 70 Y 4.7605 9.0953 125.1804 56.8862 39.8130 175.2094 71 S 4.9849 10.6988 119.2842 56.3173 67.1977 174.6213 72 D 4.4160 9.1736 120.5222 58.2435 40.5444 179.2805 73 A 4.2186 8.2935 120.1450 55.7198 17.9813 179.1537 74 D 4.3995 8.1452 116.7520 57.6223 41.2889 178.2570 75 E 3.9622 8.3582 119.7261 59.2672 29.6721 178.9701 76 W 4.4713 7.9405 118.3041 59.8794 29.0175 178.2792 77 E 4.2300 8.4482 118.0432 58.7501 28.9501 178.1058 78 M 4.5291 7.8507 114.3749 53.8635 31.9704 175.3721 79 W 4.5276 7.9258 133.1258 56.4171 32.4794 175.6858 80 K 4.6265 7.9947 126.7559 54.4505 33.9092 173.1228 81 S 4.1265 6.7327 114.8569 57.1193 66.2141 181.4055 82 R 4.4669 8.7130 121.6176 60.4112 29.3379 180.2277 83 S 4.3727 7.8758 111.7395 61.3099 62.6293 179.6743 84 D 4.4736 7.4035 119.8154 53.4569 41.0206 174.8095 85 P 4.5778 0.0000 0.0000 63.0040 32.1984 176.7040 86 V 4.2634 7.5156 118.5174 61.8170 31.0246 176.5406 87 L 3.9107 7.0617 124.9930 57.2033 43.3227 177.1692 88 H 4.1219 8.0495 115.2158 58.7674 28.6844 176.9785 89 I 3.7704 8.6237 121.9909 63.7522 38.0440 177.3436 90 D 4.3935 7.8886 119.2690 57.6220 40.5246 178.8013 91 L 4.0740 8.4875 119.4926 57.4270 41.3568 179.3295 92 R 4.4016 7.7947 117.5455 58.5646 30.1560 177.6166 93 R 4.3676 7.5182 114.4999 56.2879 30.6877 177.0527 94 W 4.5156 8.0488 127.0246 57.5733 31.9745 175.9288 95 A 4.0637 7.6860 121.3262 51.9784 18.8136 176.5737 96 D 4.6750 8.8253 121.5034 55.4736 42.3651 177.1072 97 L 5.1586 7.9791 121.2449 53.8576 45.7761 176.1206 98 L 4.9433 8.9722 127.4523 53.0687 43.4096 173.2643 99 L 4.7457 8.8787 128.5745 53.2727 43.8898 175.6972 100 V 4.8030 8.7082 126.1464 59.7632 31.9155 171.9670 101 A 4.9356 8.2530 124.8229 49.0706 20.7136 173.6405 102 P 4.7420 0.0000 0.0000 62.2159 34.6854 174.4851 103 L 4.8900 8.0890 121.9149 53.3842 43.8003 176.0130 104 D 4.9819 8.4996 126.5695 52.1622 40.8710 177.2676 105 A 4.0607 8.5247 120.8682 54.9498 18.1306 179.5220 106 N 4.3285 8.1120 115.3837 57.3084 39.3417 177.2978 107 T 3.9285 9.9048 117.1615 66.0036 68.3806 176.6028 108 L 3.8944 7.9660 122.9294 58.1595 42.0562 179.3149 109 G 3.7087 7.7001 103.8014 47.0804 0.0000 176.0302 110 K 3.9687 7.7971 120.9710 59.4179 32.1818 179.5215 111 V 3.5153 8.1412 118.6947 65.9461 31.2334 177.6838 112 A 3.9730 8.2452 120.7123 55.1128 18.2618 178.2933 113 S 4.5552 7.8206 109.2269 57.5267 63.4846 174.9160 114 G 3.9148 7.7291 107.5906 47.0153 0.0000 175.4959 115 I 4.2574 8.1348 117.2550 59.9990 38.2900 175.8169 116 C 5.1509 8.7321 126.7514 54.0913 42.1918 172.5637 117 D 4.8333 8.1365 119.5962 52.2380 40.1256 176.4473 118 N 5.0032 7.6412 116.1319 50.4173 40.0458 174.6873 119 L 3.8455 8.9822 122.0116 59.4035 42.1483 178.4267 120 L 3.9681 8.2761 120.3567 56.3962 41.9027 178.0819 121 T 3.7626 8.5385 111.8501 65.1771 68.6169 175.6649 122 C 4.2872 7.9085 118.7175 59.6308 34.9733 175.4396 123 V 3.7585 7.9410 120.0346 66.3728 31.0469 177.9055 124 M 3.7927 7.8415 117.5782 58.4183 31.7765 178.4046 125 R 4.2228 7.9157 116.0932 57.9225 30.3149 176.3936 126 A 4.6232 7.4768 118.7358 51.6912 20.0198 175.9394 127 W 4.9709 8.2619 126.7495 57.7527 31.4363 174.4852 128 D 4.7025 6.4758 121.8127 52.7422 42.0502 178.3430 129 R 4.2575 8.5234 122.5475 57.8339 29.6659 174.2917 130 S 4.2820 7.7719 110.4744 60.8094 63.5300 174.1300 131 K 4.7437 7.2799 119.7158 53.7564 34.7484 174.1042 132 P 4.8359 0.0000 0.0000 62.3897 33.1517 174.7700 133 L 5.2601 8.6922 123.4021 52.1986 44.0095 173.4057 134 L 5.2696 8.5811 124.7296 52.5023 43.0399 175.5833 135 F 5.3137 8.7884 121.1674 56.1003 41.6933 175.3302 136 C 4.7416 8.7179 117.3797 55.8886 30.0990 171.1642 137 P 4.7576 0.0000 0.0000 62.6751 31.8287 176.9686 138 A 4.7432 8.4183 124.2881 51.4783 20.9974 176.2918 139 M 4.6643 7.6173 126.4296 54.6172 31.2394 177.9451 140 N 5.0759 8.3549 114.0871 51.1339 42.8853 174.5151 141 T 3.8618 8.3327 122.2701 67.6080 68.4937 175.3547 142 A 3.9495 8.8725 120.9858 55.9142 18.2952 178.6853 143 M 4.0385 8.2260 117.9630 58.0785 32.6441 178.6001 144 W 4.3543 9.0450 130.9917 60.6591 30.7100 178.5324 145 E 4.5910 9.4278 114.4441 58.0639 29.0824 177.7980 146 H 5.1181 7.3868 119.2326 54.2889 33.1708 173.6867 147 P 4.1714 0.0000 0.0000 64.0998 30.6247 180.9841 148 I 3.4704 8.2833 126.8974 64.9893 38.8611 177.9739 149 T 3.8466 7.9785 114.2188 66.2091 67.7784 177.1812 150 A 4.1080 8.7353 123.3046 54.8025 18.4115 179.2371 151 Q 3.9450 7.9627 116.9889 58.5134 28.9967 178.1284 152 Q 4.0223 8.3601 119.8820 58.1964 29.7698 177.3867 153 V 3.6948 7.4358 118.0687 66.1605 31.7596 177.3496 154 D 4.6521 8.3768 120.9775 57.6714 40.7624 179.3531 155 Q 3.9999 7.6048 120.9945 59.9877 28.1234 181.2322 156 L 4.4891 8.4542 123.4907 58.3843 41.9180 179.6700 157 K 4.1574 8.3745 123.9412 59.3488 31.3788 182.7538 158 A 4.0987 7.3720 122.1559 55.8236 18.2631 178.8032 *159 F 4.2586 7.6386 110.7274 55.3772 38.3383 179.4406 160 G 4.0108 9.6116 106.5051 47.6478 0.0000 172.7219 161 Y 5.0687 8.0479 121.8723 57.6538 39.0783 176.6290 162 V 3.2626 8.1324 114.9892 62.0936 27.9601 176.8505 163 E 3.1077 7.5473 121.1089 55.2613 30.3242 177.4713 164 I 4.2580 8.0749 115.5791 64.2947 39.2376 173.2179 165 P 4.0420 0.0000 0.0000 62.8046 31.4342 179.7985 *184 V 4.2807 7.0587 124.6593 58.8938 35.3499 181.2193 185 G 3.8195 8.6392 116.7118 49.8735 0.0000 177.1174 186 T 3.7210 8.5291 121.4904 65.8950 69.5051 176.3071 187 I 3.9280 7.9397 124.3163 66.3967 35.7079 180.6611 188 V 3.7312 8.4018 122.3864 67.2300 31.1951 180.4593 189 D 4.6371 8.2525 123.7087 59.3302 39.8198 181.6062 190 K 4.2810 8.2139 127.2693 60.3586 31.7596 180.2811 191 V 4.1647 7.6174 122.5191 63.7314 31.6940 179.4773 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 16 R 8.35 4.10 0.00 1.85 1.10 0.00 3.35 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 17 K 9.04 3.78 0.00 2.02 1.74 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.07 7.81 *18 F 9.13 4.29 0.00 1.97 2.19 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 19 H 9.37 4.72 0.00 2.39 1.31 0.00 5.54 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.57 4.83 2.14 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 0.98 0.00 0.00 0.94 0.00 0.00 21 L 9.04 5.30 0.00 2.17 1.60 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.98 4.70 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 0.95 0.00 0.00 23 G 9.28 4.35 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 0.00 24 V 8.79 4.77 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 1.08 0.00 0.00 0.86 0.00 0.00 25 T 7.53 5.63 4.54 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 1.22 0.00 0.00 26 G 8.38 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 0.00 0.00 0.00 27 S 7.71 4.58 0.00 3.80 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 28 V 7.80 2.00 1.87 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 1.00 0.00 0.00 0.76 0.00 0.00 29 A 7.46 3.86 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.11 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 0.00 0.00 0.00 0.00 0.00 31 L 7.72 4.63 0.00 1.98 1.76 1.25 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.49 4.36 0.00 1.76 1.77 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.31 7.81 33 L 8.24 4.06 0.00 1.57 1.86 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.22 0.00 2.20 2.26 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 35 L 7.46 3.95 0.00 1.65 1.71 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.11 4.15 0.00 1.72 1.87 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *37 V 7.72 3.68 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 0.72 0.00 0.00 0.93 0.00 0.00 *38 S 8.13 4.43 0.00 3.71 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 39 K 8.23 4.45 0.00 1.87 1.64 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 40 L 8.65 4.51 0.00 1.69 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.81 4.58 0.00 1.73 1.53 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *45 G 8.26 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 46 L 7.71 5.07 0.00 1.84 1.66 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.58 4.84 0.00 2.12 2.14 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 2.42 2.53 0.00 48 V 8.68 5.77 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 0.95 0.00 0.00 1.00 0.00 0.00 49 A 8.43 4.69 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 4.91 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 0.84 0.00 0.00 0.90 0.00 0.00 51 V 9.10 5.58 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 0.86 0.00 0.00 0.98 0.00 0.00 52 T 8.72 5.38 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 1.47 0.00 0.00 53 T 8.18 4.49 4.28 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 1.28 0.00 0.00 54 E 8.84 3.91 0.00 2.04 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 2.62 2.29 0.00 55 R 8.23 3.87 0.00 1.88 2.06 0.00 3.27 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 56 A 7.83 4.56 1.66 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 0.00 0.00 57 K 7.76 3.20 0.00 1.89 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 58 H 8.27 4.32 0.00 2.98 2.48 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.37 4.87 0.00 3.34 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 60 Y 7.15 5.16 0.00 3.09 2.99 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 61 S 8.52 4.71 0.00 3.92 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 62 P 0.00 4.46 0.00 2.19 2.18 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 63 Q 8.39 3.98 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.25 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 64 D 8.09 4.57 0.00 2.75 2.60 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 65 I 7.63 4.49 2.01 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.91 0.00 0.00 66 P 0.00 4.60 0.00 2.18 2.13 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 67 V 7.11 4.44 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 0.82 0.00 0.00 0.95 0.00 0.00 68 T 8.34 3.86 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 0.35 0.00 0.00 69 L 8.22 4.94 0.00 1.58 1.49 1.05 1.13 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 70 Y 9.10 4.76 0.00 2.95 2.83 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 71 S 10.70 4.98 0.00 3.88 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 72 D 9.17 4.42 0.00 2.78 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 73 A 8.29 4.22 1.40 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 0.00 0.00 74 D 8.15 4.40 0.00 2.95 2.88 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 75 E 8.36 3.96 0.00 1.84 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 1.86 2.13 0.00 76 W 7.94 4.47 0.00 3.49 3.31 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 77 E 8.45 4.23 0.00 2.05 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 0.00 2.45 2.76 0.00 78 M 7.85 4.53 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.96 0.00 79 W 7.93 4.53 0.00 3.29 3.22 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 80 K 7.99 4.63 0.00 1.75 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.97 7.81 81 S 6.73 4.13 0.00 3.57 3.67 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 82 R 8.71 4.47 0.00 1.82 1.90 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 83 S 7.88 4.37 0.00 3.62 3.80 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 84 D 7.40 4.47 0.00 1.80 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 2.29 2.08 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 86 V 7.52 4.26 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 0.95 0.00 0.00 0.97 0.00 0.00 87 L 7.06 3.91 0.00 1.75 1.44 0.54 1.02 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 88 H 8.05 4.12 0.00 3.25 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.62 3.77 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 0.87 0.00 0.00 90 D 7.89 4.39 0.00 2.86 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 91 L 8.49 4.07 0.00 1.61 1.67 0.56 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.79 4.40 0.00 2.12 2.20 0.00 3.40 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 93 R 7.52 4.37 0.00 1.96 1.98 0.00 3.20 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 94 W 8.05 4.52 0.00 3.26 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 95 A 7.69 4.06 1.79 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 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.83 4.67 0.00 2.52 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 97 L 7.98 5.16 0.00 1.77 1.48 1.08 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.97 4.94 0.00 1.35 1.53 0.92 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.88 4.75 0.00 1.76 1.57 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.71 4.80 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 1.09 0.00 0.00 0.79 0.00 0.00 101 A 8.25 4.94 1.20 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 0.00 0.00 102 P 0.00 4.74 0.00 2.12 2.16 0.00 3.67 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 1.90 0.00 103 L 8.09 4.89 0.00 1.86 1.68 0.49 1.19 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 0.00 104 D 8.50 4.98 0.00 2.93 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 0.00 105 A 8.52 4.06 1.36 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 0.00 106 N 8.11 4.33 0.00 2.86 3.02 0.00 0.00 7.25 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 0.00 107 T 9.90 3.93 4.20 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 1.16 0.00 0.00 108 L 7.97 3.89 0.00 1.83 1.79 0.76 0.96 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 0.00 109 G 7.70 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 0.00 110 K 7.80 3.97 0.00 2.00 1.98 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.43 7.81 111 V 8.14 3.52 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 0.96 0.00 0.00 0.83 0.00 0.00 112 A 8.25 3.97 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 0.00 113 S 7.82 4.56 0.00 3.86 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 0.00 114 G 7.73 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 0.00 115 I 8.13 4.26 1.98 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 1.18 0.92 0.91 0.00 0.00 116 C 8.73 5.15 0.00 3.08 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 0.00 117 D 8.14 4.83 0.00 2.82 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 0.00 118 N 7.64 5.00 0.00 3.19 2.93 0.00 0.00 5.78 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 0.00 119 L 8.98 3.85 0.00 1.60 1.93 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.28 3.97 0.00 1.79 1.68 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.54 3.76 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 1.19 0.00 0.00 122 C 7.91 4.29 0.00 2.90 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 0.00 123 V 7.94 3.76 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 0.96 0.00 0.00 1.01 0.00 0.00 124 M 7.84 3.79 0.00 1.80 1.96 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.32 0.00 125 R 7.92 4.22 0.00 1.83 2.08 0.00 3.32 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 1.67 1.74 0.00 126 A 7.48 4.62 1.34 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 0.00 0.00 127 W 8.26 4.97 0.00 3.26 3.18 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 0.00 128 D 6.48 4.70 0.00 1.96 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 0.00 0.00 0.00 0.00 129 R 8.52 4.26 0.00 1.83 1.84 0.00 3.26 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 130 S 7.77 4.28 0.00 3.88 3.93 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 0.00 131 K 7.28 4.74 0.00 1.12 1.93 0.00 0.98 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 0.88 7.81 132 P 0.00 4.84 0.00 2.23 2.26 0.00 4.05 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 2.19 2.03 0.00 133 L 8.69 5.26 0.00 2.04 1.91 0.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.58 5.27 0.00 1.65 1.58 0.95 1.21 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 0.00 135 F 8.79 5.31 0.00 3.09 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 0.00 136 C 8.72 4.74 0.00 2.62 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 0.00 137 P 0.00 4.76 0.00 2.59 2.63 0.00 3.90 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.70 0.00 138 A 8.42 4.74 1.20 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 0.00 0.00 139 M 7.62 4.66 0.00 2.24 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.81 0.00 140 N 8.35 5.08 0.00 2.73 2.68 0.00 0.00 6.90 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 0.00 141 T 8.33 3.86 4.28 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 1.26 0.00 0.00 142 A 8.87 3.95 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 0.00 143 M 8.23 4.04 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 144 W 9.04 4.35 0.00 3.50 3.28 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 0.00 145 E 9.43 4.59 0.00 2.12 1.81 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 2.26 2.18 0.00 146 H 7.39 5.12 0.00 3.09 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.17 0.00 2.04 1.72 0.00 2.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 148 I 8.28 3.47 1.86 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 1.30 0.71 0.88 0.00 0.00 149 T 7.98 3.85 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 0.00 150 A 8.74 4.11 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 0.00 151 Q 7.96 3.95 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 152 Q 8.36 4.02 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 153 V 7.44 3.69 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 1.12 0.00 0.00 0.89 0.00 0.00 154 D 8.38 4.65 0.00 2.89 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 0.00 155 Q 7.60 4.00 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 156 L 8.45 4.49 0.00 2.03 1.87 0.92 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.37 4.16 0.00 1.79 1.80 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 158 A 7.37 4.10 1.36 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 *159 F 7.64 4.26 0.00 2.34 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 0.00 0.00 0.00 0.00 160 G 9.61 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 0.00 161 Y 8.05 5.07 0.00 3.48 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 0.00 162 V 8.13 3.26 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 0.71 0.00 0.00 0.93 0.00 0.00 163 E 7.55 3.11 0.00 1.98 1.82 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 2.23 1.87 0.00 164 I 8.07 4.26 1.87 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 1.17 0.79 0.86 0.00 0.00 165 P 0.00 4.04 0.00 2.09 1.89 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 *184 V 7.06 4.28 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 0.89 0.00 0.00 0.93 0.00 0.00 185 G 8.64 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 0.00 186 T 8.53 3.72 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 0.00 187 I 7.94 3.93 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 1.10 0.91 0.00 0.00 188 V 8.40 3.73 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 0.71 0.00 0.00 0.93 0.00 0.00 189 D 8.25 4.64 0.00 2.76 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 0.00 190 K 8.21 4.28 0.00 1.86 1.81 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.41 1.38 7.81 191 V 7.62 4.16 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 0.90 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.