NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0311 8.1976 109.7474 45.2450 0.0000 174.1449 4 S 2.0000 8.2714 113.1810 60.6590 61.8924 174.6340 5 H 4.0908 8.2117 119.3912 58.1569 28.8256 178.3705 6 M 3.9573 7.7348 120.1676 58.5812 32.2357 177.6248 7 Y 4.2570 7.5619 117.8398 59.8909 38.3198 177.8269 8 L 4.0813 7.6869 121.3247 57.6542 41.6486 179.3265 9 S 4.1331 7.5411 113.5681 61.2744 62.3078 176.2383 10 K 3.9947 8.2602 121.2494 59.6798 31.8098 179.3409 11 Q 4.1056 7.9657 118.1098 58.8098 28.6413 178.7099 12 L 3.9377 8.1053 119.9633 57.9765 41.7739 178.6607 13 C 3.9463 8.3142 118.7845 63.0385 31.3727 175.7735 14 F 4.2686 8.5575 121.7623 61.3449 39.0513 177.1799 15 L 3.9346 8.2549 118.6960 57.5883 41.2949 179.4647 16 F 4.2015 8.6461 118.4250 60.3650 38.9269 176.9970 17 Y 4.1119 8.0981 119.2980 60.7188 38.7217 178.5427 18 V 2.8075 7.4728 118.8941 65.7863 31.5716 177.9845 19 S 3.9218 7.7212 114.7896 61.6010 62.6186 176.6292 20 S 4.0285 8.1990 115.7802 61.3682 62.2892 175.8551 21 K 3.7125 7.5691 121.6823 59.8364 31.3986 178.4402 22 E 4.0714 7.9706 118.1443 59.0241 29.5341 179.3587 23 I 4.1082 8.0258 120.1926 64.6999 37.2098 178.4414 24 I 3.3834 7.9300 120.8048 64.1600 36.7931 178.5587 25 K 3.9194 7.9099 118.8730 59.4181 31.9119 179.4356 26 K 3.7992 7.7736 118.0831 59.5629 31.9132 178.8912 27 Y 4.0645 7.9095 116.6190 61.6112 37.3380 178.9259 28 T 3.9664 8.3858 116.8430 66.6741 68.2676 176.3085 29 N 4.2533 7.9549 117.3875 56.7614 38.7152 176.9624 30 Y 4.3956 7.5043 116.1672 60.6600 38.1445 177.8878 31 L 4.5840 8.3717 119.3561 56.0409 42.0378 178.6016 32 K 3.8284 7.7030 119.8864 59.8849 31.8100 177.8680 33 E 3.8282 8.2752 117.1988 58.9809 29.4206 177.2772 34 Y 4.4503 7.9320 113.9886 56.5402 39.0258 174.6314 35 D 4.5104 8.0755 118.2060 55.6145 40.1487 173.1864 36 L 4.9603 8.0064 116.1738 52.5635 45.0465 177.6635 37 T 4.3925 8.3161 113.1329 61.0556 71.1994 175.1356 38 Y 4.2373 8.6661 122.2913 61.6489 38.7913 178.7613 39 T 3.7623 8.1345 115.9184 66.3525 68.4842 176.8047 40 G 3.6178 7.8802 108.1440 47.7495 0.0000 175.2126 41 Y 4.0152 8.2875 122.0991 60.4822 38.5882 178.1527 42 I 3.0938 7.4522 119.7895 64.0809 37.5521 178.1824 43 V 3.6238 7.5366 118.8792 66.1010 30.9956 178.1078 44 L 3.9116 7.8359 118.6110 58.0658 41.1955 179.4909 45 M 3.8688 7.6036 117.4464 58.0578 31.8293 178.3483 46 A 4.1878 7.4480 119.7981 53.1075 18.5989 177.3956 47 I 4.1666 6.7584 118.4279 59.9878 37.4581 175.9441 48 E 4.1610 9.3635 126.1714 56.1706 29.9343 178.2685 49 N 4.3516 8.7032 119.1037 55.8257 38.8103 175.7503 50 D 4.8486 7.9528 115.7716 52.7215 39.8750 175.1816 51 E 4.6249 7.6939 119.6559 54.6582 31.8325 174.6887 52 K 4.8204 8.4416 126.3378 54.6575 34.5251 174.8144 53 L 4.7992 8.5790 128.1889 53.5918 46.1035 174.6821 54 N 4.9211 8.6929 122.5473 52.1122 39.1552 176.0902 55 I 3.7149 8.3830 120.6512 64.4296 37.1016 178.9747 56 K 3.9512 7.9976 119.0676 59.2128 32.0362 179.1012 57 K 3.8587 8.6344 120.3153 59.3454 32.0776 178.6114 58 L 4.0006 8.0770 120.8072 57.9832 42.0048 179.1987 59 G 3.5044 8.1197 105.7357 47.7917 0.0000 175.3283 60 E 3.6336 8.1819 121.9625 58.7428 29.3538 178.9135 61 R 3.8851 7.7104 118.0699 58.5544 30.2000 177.9848 62 V 4.3235 7.2935 108.8241 59.9234 32.4195 175.5538 63 F 3.4928 7.2035 114.8476 58.8804 36.7161 175.1450 64 L 4.8233 7.7894 118.5706 52.6544 44.7539 177.2660 65 D 4.7205 8.2426 121.4722 52.6747 42.1810 177.7458 66 S 4.1949 8.5984 116.7522 61.8379 62.6224 177.1931 67 G 3.8087 8.1161 106.9036 47.5576 0.0000 175.0214 68 T 4.2744 7.7264 116.9981 65.7979 69.2365 176.7720 69 L 4.0576 7.9992 122.2794 58.4990 41.9645 178.5024 70 T 3.8303 8.3550 116.2447 66.6842 68.3140 174.5987 71 P 4.2710 0.0000 0.0000 65.6034 31.4072 178.2862 72 L 3.9517 7.4839 119.0816 58.1495 41.9894 178.9324 73 L 4.0705 8.4829 119.1715 57.5386 41.4060 179.7036 74 K 3.9901 7.7501 118.9613 59.3335 32.0736 179.5343 75 K 4.0145 7.8114 118.7661 59.4559 32.0449 179.5288 76 L 4.1575 8.1350 119.3156 57.5517 41.4606 179.2207 77 E 4.4612 8.4380 121.1305 58.8620 29.4486 179.0794 78 K 4.0611 8.0202 116.8696 58.4460 32.1075 178.3983 79 K 4.1337 7.4365 116.6617 55.2836 32.1499 176.2068 80 D 4.4525 7.6461 117.6980 55.6439 39.1010 174.2553 81 Y 4.8246 7.8522 119.2998 59.1956 39.7210 175.9066 82 V 5.0999 7.8060 117.6675 60.9660 35.5874 174.7993 83 V 4.7523 8.8191 124.4316 60.1714 34.9642 174.5107 84 R 5.5443 8.4723 120.7412 54.9231 32.2787 175.2896 85 T 4.7070 8.3792 119.2576 62.6809 73.6979 173.8857 86 R 4.1151 8.4269 120.7398 54.3768 29.6931 173.6858 *94 L 4.6510 8.0541 124.5505 54.1765 42.8296 176.7250 95 Q 4.5257 8.3605 124.8038 55.7258 30.8470 174.6089 96 I 5.0701 8.7345 121.0640 60.0103 40.4508 175.2992 97 S 4.8000 8.7997 119.0051 57.4195 66.9467 172.8713 98 L 4.9197 8.3085 120.3112 54.1609 42.5640 177.3862 99 T 4.2303 8.4379 113.2752 61.1174 70.2276 175.4175 100 E 3.9496 8.8900 120.9573 59.6625 29.1953 179.4768 101 Q 4.1474 8.1755 119.3672 58.9305 28.9897 178.2458 102 G 3.7000 8.3860 106.6366 47.7461 0.0000 175.5362 103 K 4.0886 8.3828 121.0848 58.9527 31.5660 179.0303 104 A 4.0304 8.2068 121.4401 55.2546 18.2949 179.0881 105 I 3.9513 7.4566 109.1233 61.6403 37.8969 177.7001 106 K 3.8020 7.8579 123.4115 59.6525 31.7663 178.6348 107 S 4.0719 7.3529 113.4405 61.0302 63.3646 174.3451 108 P 4.3806 0.0000 0.0000 65.1456 31.0066 178.1332 109 L 3.7965 8.0663 118.6676 57.4905 41.2943 179.3751 110 A 4.1291 7.8768 119.5847 54.9311 18.5989 179.0339 111 E 4.0942 8.0619 116.0459 58.4827 29.4392 179.3377 112 I 3.3806 7.6609 121.1276 64.1644 37.1246 178.3626 113 S 4.1178 8.1424 114.6870 61.2823 62.7935 176.6361 114 V 3.6617 7.7069 121.3619 65.8269 31.1951 177.8034 115 K 3.7970 7.6202 116.8444 59.5342 32.2022 179.1823 116 V 3.6228 7.8018 118.4912 65.7846 31.5354 177.6654 117 F 4.4903 8.4252 120.5117 61.7627 39.0550 176.8657 118 N 4.2713 8.5099 114.3070 55.5577 38.3221 176.6732 119 E 4.0509 7.6387 119.2809 57.3834 30.0500 177.0338 120 F 4.7075 7.0339 116.2286 56.5990 39.9373 176.1674 121 N 4.6246 8.6156 121.4479 52.6737 36.8750 173.7276 122 I 4.4703 7.5283 120.1010 58.6725 41.3506 174.9188 123 S 4.6301 9.1667 123.5943 56.9940 65.8129 174.9497 124 E 4.1090 8.6888 122.2705 59.5777 29.2333 178.7569 125 R 3.8935 8.0144 118.0288 59.6672 30.2321 178.0775 126 E 3.9573 8.2703 118.0860 59.3744 29.3442 179.3994 127 A 4.0556 8.1883 120.8166 55.2765 18.4674 179.7845 128 S 4.1057 8.3624 113.9290 61.8206 62.8132 176.7339 129 D 4.3639 8.3484 121.5753 57.5407 40.6380 178.9400 130 I 3.7124 7.7654 120.2355 64.3040 37.0096 178.5124 131 I 3.7048 8.1668 121.0420 64.5942 36.9832 178.2321 132 N 4.3796 8.5052 117.5480 56.4546 38.4263 177.3547 133 N 4.4275 8.4438 118.0335 56.3436 38.6547 177.6137 134 L 4.2388 8.6223 120.8005 57.5475 41.6408 179.4174 135 R 3.9757 8.5078 119.4100 59.3260 29.9972 178.1434 136 N 4.3008 8.1036 116.4571 56.6041 38.6406 176.5704 137 F 4.1411 8.2033 121.9378 61.4406 39.5209 177.2682 138 V 3.5750 8.4100 118.2633 66.0822 31.1416 177.9683 139 S 4.1271 8.3145 112.2841 60.8287 62.2983 175.5202 140 K 4.1684 7.7107 119.3114 57.0865 32.2254 176.9199 141 N 4.4545 6.9528 113.6223 52.3405 40.5466 174.5093 142 F 4.6350 7.6729 121.5479 57.6300 39.9945 174.4220 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 8.20 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 4 S 8.27 2.00 0.00 3.76 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 5 H 8.21 4.09 0.00 3.13 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 M 7.73 3.96 0.00 2.22 2.04 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 2.67 2.65 0.00 7 Y 7.56 4.26 0.00 3.20 3.24 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 0.00 8 L 7.69 4.08 0.00 1.66 1.73 0.86 0.93 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 9 S 7.54 4.13 0.00 4.19 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 10 K 8.26 3.99 0.00 2.05 1.89 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.72 7.81 11 Q 7.97 4.11 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 12 L 8.11 3.94 0.00 1.93 1.89 0.92 0.53 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 13 C 8.31 3.95 0.00 3.15 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 14 F 8.56 4.27 0.00 3.29 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 15 L 8.25 3.93 0.00 1.72 1.51 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.65 4.20 0.00 3.22 3.04 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 0.00 0.00 0.00 17 Y 8.10 4.11 0.00 3.03 3.11 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 18 V 7.47 2.81 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 0.78 0.00 0.00 0.34 0.00 0.00 19 S 7.72 3.92 0.00 3.88 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 20 S 8.20 4.03 0.00 3.93 3.97 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 21 K 7.57 3.71 0.00 1.67 1.66 0.00 1.57 0.00 0.00 1.34 0.00 0.00 2.25 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.31 1.39 7.81 22 E 7.97 4.07 0.00 2.04 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 2.35 2.42 0.00 23 I 8.03 4.11 2.10 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 1.57 1.16 1.21 0.00 0.00 24 I 7.93 3.38 1.76 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 0.36 0.36 0.67 0.00 0.00 25 K 7.91 3.92 0.00 1.98 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.56 7.81 26 K 7.77 3.80 0.00 1.90 1.69 0.00 0.76 0.00 0.00 1.35 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.55 7.81 27 Y 7.91 4.06 0.00 3.18 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 28 T 8.39 3.97 4.39 0.00 0.00 0.00 0.00 0.00 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 29 N 7.95 4.25 0.00 2.52 2.56 0.00 0.00 7.08 6.94 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 30 Y 7.50 4.40 0.00 3.09 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 31 L 8.37 4.58 0.00 1.83 2.02 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.70 3.83 0.00 2.07 1.91 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 33 E 8.28 3.83 0.00 1.86 1.41 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 1.92 2.25 0.00 34 Y 7.93 4.45 0.00 3.21 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 35 D 8.08 4.51 0.00 2.91 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 36 L 8.01 4.96 0.00 1.80 1.66 0.84 1.11 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 37 T 8.32 4.39 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 1.28 0.00 0.00 38 Y 8.67 4.24 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 39 T 8.13 3.76 4.26 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 1.18 0.00 0.00 40 G 7.88 3.62 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 0.00 0.00 0.00 41 Y 8.29 4.02 0.00 3.04 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 42 I 7.45 3.09 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.27 0.72 0.00 0.00 43 V 7.54 3.62 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 0.98 0.00 0.00 0.90 0.00 0.00 44 L 7.84 3.91 0.00 1.52 1.53 0.52 0.80 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 45 M 7.60 3.87 0.00 1.68 1.58 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 46 A 7.45 4.19 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 47 I 6.76 4.17 1.82 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 1.25 0.74 0.88 0.00 0.00 48 E 9.36 4.16 0.00 2.09 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 2.30 2.40 0.00 49 N 8.70 4.35 0.00 2.67 2.87 0.00 0.00 6.88 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 50 D 7.95 4.85 0.00 2.76 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 51 E 7.69 4.62 0.00 1.88 2.01 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 2.18 2.17 0.00 52 K 8.44 4.82 0.00 1.76 1.64 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.39 7.81 53 L 8.58 4.80 0.00 1.75 1.39 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.69 4.92 0.00 2.86 3.06 0.00 0.00 6.23 7.84 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 55 I 8.38 3.71 1.85 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 1.62 1.06 0.89 0.00 0.00 56 K 8.00 3.95 0.00 1.86 1.81 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.41 7.81 57 K 8.63 3.86 0.00 1.76 1.90 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.39 7.81 58 L 8.08 4.00 0.00 1.76 1.75 0.86 0.77 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 59 G 8.12 3.50 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 0.00 60 E 8.18 3.63 0.00 1.90 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 0.00 2.10 2.00 0.00 61 R 7.71 3.89 0.00 1.87 2.00 0.00 3.22 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 62 V 7.29 4.32 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 0.76 0.00 0.00 0.96 0.00 0.00 63 F 7.20 3.49 0.00 3.16 3.03 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 64 L 7.79 4.82 0.00 1.57 1.52 0.89 0.86 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 65 D 8.24 4.72 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.19 0.00 3.87 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 67 G 8.12 3.81 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 0.00 0.00 0.00 68 T 7.73 4.27 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 1.22 0.00 0.00 69 L 8.00 4.06 0.00 1.88 1.64 0.89 0.70 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 T 8.36 3.83 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 1.21 0.00 0.00 71 P 0.00 4.27 0.00 2.27 2.32 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.03 0.00 72 L 7.48 3.95 0.00 1.93 1.93 0.95 0.58 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 73 L 8.48 4.07 0.00 1.82 1.71 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.75 3.99 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.72 7.81 75 K 7.81 4.01 0.00 1.97 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.67 7.81 76 L 8.14 4.16 0.00 1.75 1.83 0.95 0.81 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 77 E 8.44 4.46 0.00 2.13 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 2.30 2.34 0.00 78 K 8.02 4.06 0.00 1.86 1.84 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.60 7.81 79 K 7.44 4.13 0.00 1.50 1.16 0.00 2.00 0.00 0.00 1.83 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.52 7.81 80 D 7.65 4.45 0.00 2.66 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 81 Y 7.85 4.82 0.00 3.04 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 82 V 7.81 5.10 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 1.11 0.00 0.00 0.98 0.00 0.00 83 V 8.82 4.75 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 0.75 0.00 0.00 0.93 0.00 0.00 84 R 8.47 5.54 0.00 1.71 1.88 0.00 3.38 0.00 0.00 3.88 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 85 T 8.38 4.71 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 1.20 0.00 0.00 86 R 8.43 4.12 0.00 1.80 1.74 0.00 3.30 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 *94 L 8.05 4.65 0.00 1.60 1.66 0.98 0.86 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 95 Q 8.36 4.53 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 96 I 8.73 5.07 1.95 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 1.27 0.70 0.90 0.00 0.00 97 S 8.80 4.80 0.00 3.93 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 98 L 8.31 4.92 0.00 1.55 1.64 0.93 0.88 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 99 T 8.44 4.23 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 1.27 0.00 0.00 100 E 8.89 3.95 0.00 2.02 2.07 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 2.42 2.33 0.00 101 Q 8.18 4.15 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 102 G 8.39 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 0.00 0.00 0.00 103 K 8.38 4.09 0.00 2.00 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 104 A 8.21 4.03 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 0.00 105 I 7.46 3.95 1.70 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.31 1.06 0.00 0.00 106 K 7.86 3.80 0.00 2.04 1.80 0.00 1.41 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.38 1.43 7.81 107 S 7.35 4.07 0.00 3.90 3.97 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 0.00 108 P 0.00 4.38 0.00 2.37 2.46 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 109 L 8.07 3.80 0.00 1.80 1.82 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.88 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.06 4.09 0.00 2.12 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 0.00 2.31 2.53 0.00 112 I 7.66 3.38 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.62 0.00 0.00 113 S 8.14 4.12 0.00 4.24 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.71 3.66 2.23 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 1.14 0.00 0.00 0.95 0.00 0.00 115 K 7.62 3.80 0.00 1.28 1.33 0.00 1.10 0.00 0.00 1.29 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.41 7.81 116 V 7.80 3.62 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 1.04 0.00 0.00 0.46 0.00 0.00 117 F 8.43 4.49 0.00 3.22 3.35 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 0.00 118 N 8.51 4.27 0.00 2.87 2.81 0.00 0.00 7.13 7.46 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 0.00 119 E 7.64 4.05 0.00 1.74 1.64 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 2.24 2.51 0.00 120 F 7.03 4.71 0.00 3.20 2.82 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 0.00 121 N 8.62 4.62 0.00 2.74 2.80 0.00 0.00 6.70 7.45 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 0.00 122 I 7.53 4.47 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.55 0.92 0.00 0.00 123 S 9.17 4.63 0.00 4.08 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 0.00 124 E 8.69 4.11 0.00 2.20 2.07 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 2.44 2.45 0.00 125 R 8.01 3.89 0.00 1.94 1.94 0.00 3.26 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 126 E 8.27 3.96 0.00 2.34 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 2.34 2.35 0.00 127 A 8.19 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.11 0.00 4.05 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 0.00 129 D 8.35 4.36 0.00 2.86 2.72 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 0.00 0.00 0.00 130 I 7.77 3.71 1.89 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 1.50 0.66 0.94 0.00 0.00 131 I 8.17 3.70 2.08 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.92 0.00 0.00 132 N 8.51 4.38 0.00 2.86 2.89 0.00 0.00 7.11 6.53 0.00 0.00 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 N 8.44 4.43 0.00 2.78 2.89 0.00 0.00 7.06 6.92 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 0.00 134 L 8.62 4.24 0.00 1.76 1.84 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.51 3.98 0.00 1.96 1.99 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 136 N 8.10 4.30 0.00 2.87 3.04 0.00 0.00 6.85 8.58 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 0.00 137 F 8.20 4.14 0.00 3.13 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 0.00 138 V 8.41 3.57 2.28 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 1.16 0.00 0.00 1.21 0.00 0.00 139 S 8.31 4.13 0.00 3.89 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 0.00 140 K 7.71 4.17 0.00 1.66 1.69 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.56 7.81 141 N 6.95 4.45 0.00 1.44 1.43 0.00 0.00 6.73 7.11 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 0.00 142 F 7.67 4.64 0.00 3.17 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 * Residues marked with a * may have inaccurate shift predictions.