NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-5 Y 4.4334 8.1293 118.8547 56.3574 39.7320 175.6600 -4 F 4.5659 6.7027 111.8920 54.7459 41.3494 173.6270 -3 Q 3.6398 8.3069 118.1356 56.7327 27.1252 175.3224 -2 S 4.6880 8.1521 111.3224 57.6667 63.5804 174.7013 -1 N 4.2551 8.4683 115.3526 53.0931 35.0744 175.1446 0 A 5.1241 6.9694 123.4995 52.4396 21.8123 175.8682 -3 S 3.7698 8.2969 114.0356 59.3327 61.5252 173.9224 -2 I 4.3880 7.8421 115.5224 60.4667 38.5804 176.5013 -1 E 3.8651 8.4883 116.8526 56.5931 26.0744 176.5446 0 I 4.9741 6.7294 119.5995 61.0396 41.5123 174.4682 6 R 4.7827 8.6047 121.7447 54.4148 33.2097 174.2373 7 K 4.5598 8.6667 119.0514 56.6915 32.5610 177.2839 8 L 4.5390 8.9278 125.0368 54.8965 42.5286 176.4991 9 S 4.8059 9.2964 116.8662 55.9098 65.8333 175.0198 10 I 3.8608 8.0337 112.6088 63.2842 37.5652 177.9852 11 E 3.9881 7.6394 119.4554 58.9971 29.4659 177.9968 12 D 4.6054 8.1165 117.6681 54.6571 40.8999 177.6180 13 L 3.8327 7.4753 122.6992 58.5420 41.8785 178.8724 14 E 3.9809 8.0583 117.8393 59.5705 29.4939 179.2797 15 T 3.9033 7.8144 109.4040 64.5947 68.7720 176.2441 16 L 3.8087 8.1444 123.5197 57.7527 41.9649 178.8024 17 I 3.6080 7.7366 119.8451 64.4171 36.7635 178.1811 18 E 3.8949 7.8496 119.0615 59.5932 29.3963 179.7203 19 V 3.6884 8.0589 118.1225 65.7663 31.3975 178.0053 20 A 3.9576 8.6044 121.4084 55.1628 18.0399 179.5774 21 R 3.7883 7.8992 116.8920 59.5815 30.0651 179.0831 22 E 3.5017 7.7703 118.0250 58.8492 29.6093 178.9128 23 S 2.7900 7.2864 114.2883 60.8028 62.5785 176.6434 24 W 4.1965 7.7900 131.4933 60.0903 30.8346 178.3001 25 K 3.9715 7.6980 118.3367 58.8726 31.0461 179.2536 26 W 4.7835 7.4190 118.4120 59.9166 29.4887 178.5125 27 T 3.6781 7.4469 113.9698 65.9236 67.8168 174.5298 28 Y 4.4592 7.2315 115.0455 57.0907 39.8822 176.8381 29 A 4.0220 8.0046 125.2772 55.2365 18.4851 179.3842 30 G 3.9958 7.9381 102.1862 45.8238 0.0000 173.2969 31 I 4.1464 7.9007 118.8635 62.6166 39.3092 175.9512 32 Y 4.4625 7.3446 116.1346 56.9907 39.1430 175.9554 33 S 4.5860 8.4657 116.3871 57.7120 65.5318 174.9397 34 E 4.0353 8.7896 121.8451 59.8901 29.1070 179.2045 35 E 4.0126 8.3852 117.7512 60.0993 29.6243 178.9821 36 Y 4.0723 8.1668 118.8695 60.5093 38.6870 178.1381 37 I 4.0969 8.1729 120.9674 64.7218 37.1802 177.9466 38 E 4.0064 8.1628 117.9777 59.9038 29.5590 179.3712 39 S 4.0970 7.8771 113.1842 60.8325 62.5519 175.6151 40 W 3.7396 7.8639 131.1847 60.4961 30.1298 178.0742 41 I 3.5644 7.4834 112.6237 63.8435 36.6878 178.1241 42 R 3.8574 7.5935 118.9062 59.4097 30.0495 178.5316 43 E 3.8192 7.5630 115.9802 58.9848 29.5552 178.8918 44 K 3.5302 7.0089 117.1889 57.3772 32.8518 177.3594 45 Y 4.7945 7.6606 117.4093 57.3969 38.2738 176.6101 46 S 4.3501 7.4630 114.6327 57.7236 65.7323 173.8458 47 K 3.8658 8.4757 123.4213 59.9065 31.8941 178.9191 48 E 3.9604 7.9993 118.2732 59.3053 29.5980 179.3297 49 K 4.0037 7.9218 118.2799 59.3935 32.1459 179.5255 50 L 4.1737 7.9901 119.3437 57.3884 41.4710 179.4441 51 L 3.9055 7.9224 120.5648 58.1171 42.1323 178.0862 52 N 4.2366 8.4684 117.5036 57.2223 38.7514 176.5490 53 E 4.1275 8.1927 119.0629 59.3318 29.6282 179.3557 54 I 3.8685 8.0475 120.0786 64.1985 37.0713 178.6704 55 V 3.5848 7.9592 119.1377 66.1644 31.4190 178.3133 56 R 3.9330 8.0790 117.8330 59.3068 29.7875 179.0828 57 S 4.9641 8.1797 114.3730 61.0568 62.2415 176.0275 58 Q 4.0938 8.4996 121.5603 58.6328 28.8209 177.2209 59 S 4.5009 8.0944 114.1516 57.1268 63.9830 173.6463 60 N 4.3122 7.8095 117.8313 54.9429 37.2194 173.8441 61 L 4.7801 7.5830 123.0387 55.4488 42.5654 178.0016 62 D 5.1108 8.7243 127.3099 54.5693 40.6345 175.4402 63 I 5.1775 7.8486 119.2198 60.0979 42.1616 173.7299 64 L 5.0711 9.0023 127.3975 53.3180 45.1106 175.0227 65 F 5.4889 8.9206 127.4678 56.9479 42.0982 172.6121 66 L 5.3031 9.1893 126.5636 53.0071 44.2077 176.0773 67 G 4.5621 9.1520 109.2052 44.4098 0.0000 172.2133 68 A 5.4837 8.9847 124.1571 49.9593 21.4850 175.6880 69 F 5.7713 9.1058 120.0926 54.5394 42.6776 174.3476 70 A 4.8261 8.4290 124.6622 50.9456 20.6775 177.1438 71 D 4.1567 9.5199 124.9177 55.7644 38.4713 174.9091 72 S 4.1842 8.2770 111.6790 58.4152 61.8450 167.9819 73 T 4.4949 8.2325 117.1921 62.2528 69.4187 173.8200 74 L 3.7413 8.5936 129.1725 55.0049 42.4120 176.0501 75 I 4.2388 8.2990 118.8975 60.7002 40.0097 174.8990 76 G 4.4108 7.4799 108.8192 46.3352 0.0000 171.4826 77 F 5.4719 8.4343 114.2479 56.2672 42.0047 172.9563 78 I 5.2201 9.2322 118.7843 59.5593 41.7728 173.0927 79 E 5.1144 9.7444 129.9798 54.4127 32.6542 174.4019 80 L 5.2923 8.8547 125.2102 52.8972 46.5502 175.0299 81 K 4.9009 9.0700 123.4744 54.8969 34.4845 175.0294 82 I 4.9031 8.4368 128.0948 59.8721 39.4186 175.5068 83 I 4.2521 8.4894 129.3247 59.9078 39.0628 177.6918 84 A 3.5173 8.3721 131.0750 53.5499 17.7672 177.6408 85 N 4.7428 9.0295 121.5606 55.2648 39.8563 173.2086 86 K 5.2642 7.9602 116.3212 55.3081 36.0366 174.8380 87 A 5.3202 8.9537 122.7719 50.2401 23.0608 174.6480 88 E 4.9872 9.2726 120.8402 54.3001 32.8877 174.6334 89 L 4.6431 9.0073 130.3855 54.3131 41.6375 176.0664 90 L 4.4873 8.6065 127.8398 57.5456 42.3821 177.9594 91 R 4.8412 7.7503 112.2296 55.2546 32.6050 173.8746 92 L 5.1273 8.4816 122.3201 53.8604 45.2446 174.5991 93 Y 4.8338 8.6613 126.4230 56.2008 42.6399 173.2469 94 L 4.6981 7.3053 124.6973 52.1174 45.1733 176.6912 95 K 4.6147 8.3239 121.9355 55.3891 32.9926 176.1396 96 P 4.4487 0.0000 0.0000 65.1993 31.2755 178.5502 97 E 3.8045 8.2294 114.9159 58.7246 29.3905 177.3356 98 Y 4.5621 7.9557 115.4905 58.0082 39.4400 177.2264 99 T 4.0866 7.8046 118.1421 62.8804 67.0433 173.8186 100 H 5.0389 7.5447 119.5687 54.0045 30.7352 176.8371 101 K 4.1642 8.9667 127.3304 59.9992 31.8186 179.7773 102 K 4.2069 8.1042 123.6197 59.3674 31.6145 184.3745 103 I 4.0612 8.3228 120.4382 64.5461 37.0705 178.4381 104 G 3.5568 8.0706 106.0894 47.8903 0.0000 175.2977 105 K 4.2896 8.2637 121.7849 59.5472 32.1703 179.1076 106 T 3.9465 8.0111 116.0698 66.5447 68.4221 176.3931 107 L 4.0362 8.2541 121.2224 58.0341 41.7467 179.3296 108 L 4.1307 8.4174 120.1374 58.2729 42.1919 178.8530 109 L 4.0322 8.6054 120.5665 58.3452 42.2032 178.8749 110 E 4.0638 8.8205 118.7509 59.1346 29.1252 179.1384 111 A 4.0975 8.0214 120.4002 55.2532 18.5172 179.2482 112 E 3.8942 8.1214 116.3073 59.0552 29.2649 179.0402 113 K 4.0730 7.9237 119.4340 59.4319 32.1056 179.8399 114 I 3.7332 7.4449 117.2587 61.6379 36.7694 178.2738 *116 K 4.1397 7.9918 119.8317 56.5256 33.8677 178.3628 117 K 3.8961 7.5761 115.7182 59.5505 32.0279 178.9285 118 K 4.0078 7.6436 116.9862 57.8980 32.0829 178.1988 119 G 3.9850 8.1287 106.5801 44.9240 0.0000 173.5138 120 I 4.0168 7.5273 120.6122 61.6047 37.4832 175.7458 121 L 4.9015 8.8373 124.4568 55.0809 43.3935 175.7997 122 E 4.9347 8.0191 119.5120 54.6860 33.8048 173.1373 123 C 5.3439 8.8846 125.5822 57.8875 35.0046 173.0034 124 R 5.2462 9.2060 125.1811 54.7712 33.3731 174.7667 125 L 4.9135 8.0984 119.0329 55.0579 43.8792 173.5098 126 Y 5.1256 8.6854 117.5690 56.2813 40.8403 175.7171 127 V 4.6636 8.9087 122.7005 60.1185 35.1352 174.2575 128 H 4.8025 9.1755 125.5733 56.1276 30.4095 176.2923 129 R 4.2412 8.0093 124.4663 59.5228 30.1463 178.3781 130 Q 4.1523 8.3358 115.7434 58.5019 29.3401 177.0453 131 N 4.6906 8.0512 117.2610 54.0327 35.9447 175.0378 132 S 4.2802 8.1613 120.8266 60.5388 63.6484 176.6513 133 V 3.6911 7.8266 121.8497 65.7098 31.3229 178.0812 134 G 3.4015 8.3249 105.4738 47.6848 0.0000 175.1288 135 F 4.1149 8.2164 123.7825 61.1426 39.4697 177.2114 136 S 4.2658 8.4805 114.4109 61.7982 62.5057 176.3115 137 F 4.0932 8.1110 121.7823 61.6809 39.3839 176.5348 138 Y 4.4633 8.4551 116.3926 61.5142 37.7218 178.1757 139 Y 4.3186 7.9087 118.9111 60.4505 37.7014 178.7441 140 K 4.0853 7.9826 119.4301 58.7104 32.2596 177.5814 141 N 4.7967 7.4191 114.5594 52.8410 38.8140 175.6629 142 G 3.9404 8.0048 108.3275 44.9136 0.0000 174.1584 143 F 4.4796 8.0305 118.5521 56.4986 40.6556 174.8670 144 K 3.6820 8.4953 120.9937 53.8451 35.6257 176.0689 145 V 3.8256 7.9773 122.2421 63.1439 31.2836 175.4539 146 E 4.3669 8.6837 128.2932 57.2207 31.1185 174.3382 147 D 4.4640 7.2635 116.1068 54.1520 44.0315 173.5489 148 T 4.9461 8.4148 110.1379 59.8931 71.5922 173.7892 149 D 4.9289 9.1576 123.1927 53.0057 42.5172 177.8293 150 G 3.8188 8.4719 113.1748 47.0937 0.0000 173.3558 151 S 4.2989 9.0764 119.5687 59.1605 64.1238 173.0833 152 D 5.0970 7.5228 120.0874 52.3076 45.4220 174.7449 153 F 4.8730 8.9862 121.3844 57.6005 40.4245 176.0276 154 I 4.3650 8.3286 124.8402 59.5968 39.4821 174.1746 *156 E 4.6296 8.4304 122.4727 56.6230 31.2952 174.4471 157 K 4.2660 8.0021 123.7588 54.8099 35.5182 175.2490 158 K 4.5062 8.2178 128.4451 55.4053 34.2252 175.6830 159 Y 4.4700 8.6679 120.8281 58.1688 38.3702 175.5773 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 Y 8.13 4.43 0.00 2.11 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 -4 F 6.70 4.57 0.00 3.21 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 -3 Q 8.31 3.64 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 -2 S 8.15 4.69 0.00 4.44 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 -1 N 8.47 4.26 0.00 2.74 2.84 0.00 0.00 6.45 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 0 A 6.97 5.12 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 -3 S 8.30 3.77 0.00 4.15 4.10 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 -2 I 7.84 4.39 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 1.15 1.73 0.91 0.00 0.00 -1 E 8.49 3.87 0.00 1.97 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 0.00 2.24 1.86 0.00 0 I 6.73 4.97 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 1.10 1.83 0.91 0.00 0.00 6 R 8.60 4.78 0.00 1.83 1.98 0.00 2.85 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 7 K 8.67 4.56 0.00 1.70 1.84 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 8 L 8.93 4.54 0.00 1.24 1.37 0.06 0.79 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 9 S 9.30 4.81 0.00 3.90 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 10 I 8.03 3.86 1.85 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 1.40 0.77 0.90 0.00 0.00 11 E 7.64 3.99 0.00 1.97 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 0.00 2.32 2.31 0.00 12 D 8.12 4.61 0.00 2.80 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 13 L 7.48 3.83 0.00 1.83 1.65 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.06 3.98 0.00 2.00 1.96 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 2.38 2.29 0.00 15 T 7.81 3.90 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 16 L 8.14 3.81 0.00 1.64 1.78 0.29 0.64 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 17 I 7.74 3.61 1.99 0.00 0.00 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 1.51 0.68 0.89 0.00 0.00 18 E 7.85 3.89 0.00 2.03 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 2.50 2.46 0.00 19 V 8.06 3.69 2.24 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 1.37 0.00 0.00 1.08 0.00 0.00 20 A 8.60 3.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.79 0.00 1.95 1.98 0.00 3.10 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 1.71 1.73 0.00 22 E 7.77 3.50 0.00 1.81 1.59 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 2.41 2.46 0.00 23 S 7.29 2.79 0.00 3.57 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 24 W 7.79 4.20 0.00 3.83 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.97 0.00 1.03 1.48 0.00 1.67 0.00 0.00 1.52 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.64 7.81 26 W 7.42 4.78 0.00 3.18 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 27 T 7.45 3.68 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 28 Y 7.23 4.46 0.00 2.23 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 29 A 8.00 4.02 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 0.00 0.00 0.00 0.00 0.00 30 G 7.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 4.15 1.45 0.00 0.00 0.58 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 0.52 0.30 0.00 0.00 32 Y 7.34 4.46 0.00 3.14 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 33 S 8.47 4.59 0.00 4.15 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 34 E 8.79 4.04 0.00 2.07 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 2.47 2.42 0.00 35 E 8.39 4.01 0.00 2.12 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 2.46 2.46 0.00 36 Y 8.17 4.07 0.00 3.16 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 37 I 8.17 4.10 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.89 1.32 0.00 0.00 38 E 8.16 4.01 0.00 2.11 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 2.62 2.53 0.00 39 S 7.88 4.10 0.00 3.76 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 40 W 7.86 3.74 0.00 2.67 2.36 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 41 I 7.48 3.56 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.64 1.14 0.00 0.00 42 R 7.59 3.86 0.00 1.87 1.92 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 43 E 7.56 3.82 0.00 1.32 1.59 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 2.08 2.11 0.00 44 K 7.01 3.53 0.00 0.79 0.74 0.00 1.03 0.00 0.00 1.00 0.00 0.00 2.51 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.21 7.81 45 Y 7.66 4.79 0.00 2.97 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 46 S 7.46 4.35 0.00 4.07 4.02 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 47 K 8.48 3.87 0.00 1.81 1.82 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.48 1.51 7.81 48 E 8.00 3.96 0.00 2.04 1.94 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 2.36 2.42 0.00 49 K 7.92 4.00 0.00 1.73 1.75 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.36 7.81 50 L 7.99 4.17 0.00 1.81 1.72 0.96 0.81 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 51 L 7.92 3.91 0.00 1.93 1.82 0.90 0.51 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 52 N 8.47 4.24 0.00 2.90 2.98 0.00 0.00 7.31 7.29 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 53 E 8.19 4.13 0.00 2.48 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 2.33 2.48 0.00 54 I 8.05 3.87 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.64 0.90 0.00 0.00 55 V 7.96 3.58 2.20 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 1.11 0.00 0.00 0.98 0.00 0.00 56 R 8.08 3.93 0.00 2.17 2.00 0.00 3.43 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 57 S 8.18 4.96 0.00 4.09 4.16 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 58 Q 8.50 4.09 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 59 S 8.09 4.50 0.00 3.93 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 60 N 7.81 4.31 0.00 2.84 2.87 0.00 0.00 6.73 9.12 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 61 L 7.58 4.78 0.00 1.83 1.17 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.72 5.11 0.00 2.73 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 63 I 7.85 5.18 1.92 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 1.12 1.10 0.94 0.00 0.00 64 L 9.00 5.07 0.00 1.77 1.54 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.92 5.49 0.00 3.08 2.69 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 66 L 9.19 5.30 0.00 1.83 1.69 1.03 0.85 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 67 G 9.15 4.56 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 0.00 0.00 0.00 68 A 8.98 5.48 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 69 F 9.11 5.77 0.00 2.77 2.89 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 70 A 8.43 4.83 1.14 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 0.00 0.00 71 D 9.52 4.16 0.00 2.75 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 72 S 8.28 4.18 0.00 3.99 4.10 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 73 T 8.23 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 1.19 0.00 0.00 74 L 8.59 3.74 0.00 1.27 1.43 0.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.30 4.24 1.08 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.49 0.04 0.00 0.00 76 G 7.48 4.41 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 0.00 77 F 8.43 5.47 0.00 3.40 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 78 I 9.23 5.22 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.62 1.09 0.00 0.00 79 E 9.74 5.11 0.00 1.43 1.65 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 1.89 1.47 0.00 80 L 8.85 5.29 0.00 1.68 1.53 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.07 4.90 0.00 1.80 1.67 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.52 7.81 82 I 8.44 4.90 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 1.03 0.00 0.00 83 I 8.49 4.25 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 0.93 0.00 0.00 84 A 8.37 3.52 1.05 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 0.00 0.00 0.00 85 N 9.03 4.74 0.00 2.78 2.81 0.00 0.00 6.69 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 86 K 7.96 5.26 0.00 1.78 1.69 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.37 7.81 87 A 8.95 5.32 1.29 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 88 E 9.27 4.99 0.00 2.05 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 2.28 2.33 0.00 89 L 9.01 4.64 0.00 1.73 1.54 0.93 1.03 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 90 L 8.61 4.49 0.00 1.81 1.79 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.75 4.84 0.00 2.04 2.25 0.00 3.46 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.15 0.00 92 L 8.48 5.13 0.00 1.74 1.68 0.91 1.02 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 93 Y 8.66 4.83 0.00 2.77 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 0.00 0.00 0.00 94 L 7.31 4.70 0.00 1.15 1.26 0.65 0.88 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 95 K 8.32 4.61 0.00 2.00 2.14 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.60 7.81 96 P 0.00 4.45 0.00 2.08 1.92 0.00 4.10 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.79 0.00 97 E 8.23 3.80 0.00 1.67 1.68 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.53 1.57 7.81 106 T 8.01 3.95 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 1.27 0.00 0.00 107 L 8.25 4.04 0.00 1.95 1.83 0.93 0.72 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 0.00 108 L 8.42 4.13 0.00 2.06 1.92 1.21 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.61 4.03 0.00 1.97 1.84 0.96 1.06 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 0.00 110 E 8.82 4.06 0.00 2.06 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 0.00 2.56 2.53 0.00 111 A 8.02 4.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.12 3.89 0.00 2.08 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 2.41 2.58 0.00 113 K 7.92 4.07 0.00 1.85 1.96 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 9.21 5.25 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 125 L 8.10 4.91 0.00 1.49 1.46 0.46 -1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.69 5.13 0.00 2.86 2.98 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 0.00 127 V 8.91 4.66 2.35 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 1.08 0.00 0.00 1.28 0.00 0.00 128 H 9.18 4.80 0.00 3.33 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.01 4.24 0.00 1.64 1.88 0.00 2.87 0.00 0.00 2.72 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.33 0.00 130 Q 8.34 4.15 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.42 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 131 N 8.05 4.69 0.00 2.82 2.99 0.00 0.00 6.85 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.16 4.28 0.00 4.08 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 0.00 133 V 7.83 3.69 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 1.04 0.00 0.00 0.89 0.00 0.00 134 G 8.32 3.40 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 0.00 135 F 8.22 4.11 0.00 3.43 3.33 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 0.00 136 S 8.48 4.27 0.00 4.18 3.99 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 0.00 137 F 8.11 4.09 0.00 2.87 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 0.00 138 Y 8.46 4.46 0.00 2.94 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 0.00 139 Y 7.91 4.32 0.00 2.86 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 0.00 140 K 7.98 4.09 0.00 1.92 1.75 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.49 7.81 141 N 7.42 4.80 0.00 2.63 2.77 0.00 0.00 7.26 7.24 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 0.00 142 G 8.00 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 0.00 0.00 0.00 143 F 8.03 4.48 0.00 2.73 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 0.00 144 K 8.50 3.68 0.00 1.41 1.60 0.00 1.88 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.42 7.81 145 V 7.98 3.83 2.20 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 0.92 0.00 0.00 0.95 0.00 0.00 146 E 8.68 4.37 0.00 1.91 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 2.21 2.32 0.00 147 D 7.26 4.46 0.00 2.72 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 0.00 0.00 0.00 148 T 8.41 4.95 4.11 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 1.25 0.00 0.00 149 D 9.16 4.93 0.00 2.63 2.71 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 0.00 150 G 8.47 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 0.00 151 S 9.08 4.30 0.00 3.90 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 0.00 152 D 7.52 5.10 0.00 2.92 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 0.00 153 F 8.99 4.87 0.00 3.20 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 0.00 154 I 8.33 4.36 1.74 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.06 0.73 0.00 0.00 *156 E 8.43 4.63 0.00 2.04 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 0.00 2.14 2.27 0.00 157 K 8.00 4.27 0.00 0.79 0.74 0.00 0.80 0.00 0.00 0.94 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.45 0.89 7.81 158 K 8.22 4.51 0.00 1.65 1.50 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.52 7.81 159 Y 8.67 4.47 0.00 2.76 2.69 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 * Residues marked with a * may have inaccurate shift predictions.