NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.5764 8.4444 117.8305 55.6861 30.7376 173.6709 *5 K 4.2912 8.5962 124.1246 57.2108 34.8187 177.0655 6 H 4.0990 7.9231 115.3414 59.1397 28.4179 177.8196 7 T 3.8453 7.7469 117.0428 66.4646 68.3036 176.3992 8 E 3.8798 8.0452 119.9823 59.3928 29.4214 179.0022 9 L 3.8773 7.7552 118.7572 58.2028 41.6605 180.0769 10 R 3.9052 7.7860 116.9477 59.0714 29.9625 178.9882 11 A 3.8310 8.2534 120.6576 55.0866 18.1684 179.5621 12 A 3.9668 8.3069 119.7033 55.1260 18.3908 180.0855 13 V 3.5549 7.4610 116.9558 65.9685 31.6474 178.3119 14 L 3.9715 8.6484 119.3771 57.7114 41.3698 179.2274 15 D 4.1726 8.4737 118.9689 57.4183 40.6210 178.6989 16 A 3.9513 7.3649 119.6278 55.2364 18.4164 179.3969 17 L 4.1805 7.7137 116.6452 57.8264 41.7789 179.1920 18 E 3.6506 7.7437 118.0556 58.9282 29.3574 178.2908 19 K 3.8350 8.0520 121.0690 61.8712 32.1874 177.9300 *20 H 4.2524 8.3480 119.3715 56.3438 28.7147 177.8483 21 D 4.6430 8.1548 118.8882 54.4853 40.4701 179.0097 22 T 4.9993 8.5783 112.1297 60.8458 69.5598 174.0779 23 G 4.3599 8.5142 108.6224 45.6238 0.0000 172.8748 24 A 4.8273 8.0442 118.9737 50.3016 22.8545 176.6577 25 T 4.3585 8.4925 117.1134 62.5876 69.8139 174.2988 26 F 5.3855 8.9042 125.5130 56.5058 40.9239 175.3928 27 F 4.7136 9.4255 120.4832 55.8545 42.7010 173.9557 28 D 4.6379 8.7925 123.7023 55.8428 40.6791 175.2310 29 G 3.8479 8.7400 111.5735 44.2653 0.0000 171.3913 30 R 3.9913 7.7659 119.4316 53.5230 29.8076 174.1947 31 P 4.0478 0.0000 0.0000 62.9366 31.8026 175.5515 32 A 4.2449 8.1485 122.1373 53.7853 20.3583 177.8804 33 V 4.4272 6.9929 109.3561 58.8240 35.2515 175.6379 34 F 4.8073 8.4047 118.7178 57.3167 42.7867 174.8033 35 D 4.7952 8.3426 120.1992 52.0825 43.6616 174.2180 36 E 4.1643 9.1616 119.9504 58.5220 29.7409 177.5866 37 A 4.2407 7.8605 120.3096 54.2620 18.6486 178.2366 38 D 4.4750 8.6114 116.7242 56.6695 41.1657 177.2398 39 F 4.5568 7.1596 117.7201 56.3005 39.7355 173.4212 40 P 4.3851 0.0000 0.0000 62.3883 32.1755 174.9543 41 A 5.2054 8.4893 125.9971 50.1074 21.9454 175.4364 42 V 4.9711 8.7322 120.6472 61.0644 35.0131 174.1233 43 A 5.4508 9.6216 129.4488 50.2294 22.4778 174.5471 44 V 4.9836 8.6866 122.4030 61.3590 33.9507 174.2772 45 Y 5.1726 8.3628 124.6776 56.3223 41.8462 173.2137 46 L 5.6991 8.8663 118.9177 52.7354 44.8899 176.1283 47 T 4.6039 8.3458 109.7258 60.8623 72.4109 173.8069 48 G 3.9988 9.1038 109.2448 46.3183 0.0000 173.4180 49 A 4.8002 8.1482 120.7696 52.3273 18.9442 177.6128 50 E 4.5791 9.2660 118.7215 55.0040 33.3108 174.1946 51 Y 2.9831 7.1857 122.7809 57.3268 39.7703 174.8453 52 T 4.1492 7.3263 114.8541 59.4465 71.7669 173.6425 53 G 3.9731 8.1752 115.4009 46.1718 0.0000 174.0835 54 E 4.5097 8.5809 120.7754 56.1050 31.3328 171.3771 *58 S 4.3936 7.8867 113.6508 59.2660 63.6239 172.2376 59 D 4.9755 8.4211 120.0470 55.8841 41.0924 176.8576 60 T 4.5924 7.6134 113.6625 60.9403 69.9661 176.3530 61 W 4.8808 8.9590 125.7866 53.9532 33.2366 174.3909 62 Q 5.1596 8.9986 122.1367 54.6596 32.1405 173.8009 63 A 5.0652 9.2748 126.2604 50.8804 24.0651 173.9617 64 E 4.8998 9.0818 120.2002 54.6414 31.6948 174.3278 65 L 4.9446 9.4674 130.4863 54.2412 43.7870 174.8302 66 H 5.2971 9.0781 123.5991 54.1642 32.2837 173.9895 67 I 4.6808 8.4464 121.4487 60.0961 40.6862 173.5505 68 E 4.9745 9.6471 129.0395 54.1139 32.7919 174.5806 69 V 4.7292 8.2468 126.1130 61.1914 34.0187 174.2046 70 F 5.1246 9.4193 126.8514 55.9344 41.8374 174.6998 71 L 4.3491 8.5313 120.6991 52.0599 46.6614 173.5444 72 P 3.7579 0.0000 0.0000 63.3839 31.2792 176.1925 73 A 3.5363 8.5433 125.9191 55.8680 17.8295 179.3528 74 Q 4.2908 7.3854 114.3666 54.4246 27.4305 178.5164 75 V 4.5448 7.0073 113.0787 58.5328 35.2351 174.9636 76 P 4.3475 0.0000 0.0000 62.3700 32.0499 176.9665 77 A 4.0221 8.7272 122.0231 55.9714 18.0951 180.4290 78 S 4.1217 8.0854 112.6733 61.4303 62.8575 176.6750 79 E 4.0087 8.3521 121.6286 59.3824 29.0389 179.2405 80 L 4.0556 7.8967 116.8931 58.0675 41.9084 178.7267 81 D 4.7014 8.3867 117.3983 57.4604 41.1778 178.4967 82 A 5.0429 8.5483 122.7909 54.4219 18.3876 179.9404 83 W 3.7732 8.1003 123.0682 58.3844 30.5225 177.2086 *85 E 4.5969 8.1404 116.1784 55.4626 31.1077 177.1979 86 S 4.2499 7.9997 113.1288 59.8414 63.0353 174.8347 87 R 4.5042 8.1710 115.2088 55.9218 30.4883 175.7202 88 I 4.5372 6.9956 116.5046 62.0889 40.3529 176.7385 89 Y 4.4008 8.3517 122.4352 60.7280 39.2023 176.6292 90 P 4.3055 0.0000 0.0000 65.7297 31.2053 178.9500 91 V 3.4714 7.5566 121.9808 63.7164 31.7942 178.6688 *93 S 4.2366 8.3195 118.1176 57.8779 64.3790 176.5970 94 D 4.6549 7.7418 117.9143 51.9516 42.2673 177.7346 95 I 4.6095 7.8284 126.4708 56.2267 38.0369 174.0046 96 P 4.1617 0.0000 0.0000 65.9245 30.7545 178.2457 97 A 3.9235 7.8276 118.7584 54.9160 18.7299 178.8170 98 L 3.9648 7.7883 118.2393 58.2053 42.0975 178.6098 99 S 4.0713 8.1158 113.1428 61.8346 62.1058 176.0824 100 D 4.4628 8.0366 119.2048 56.6147 40.5431 177.8952 101 L 4.4417 7.7597 118.3773 54.1787 42.3908 176.1244 102 I 4.6889 6.9633 110.9912 59.1510 40.1640 175.1247 103 T 4.4751 8.6048 111.0113 63.5471 70.3609 174.2731 104 S 4.5730 7.4743 112.1909 57.5963 66.8169 174.0800 *106 V 4.2840 8.1889 117.6422 61.5065 32.5915 175.1120 107 A 3.7437 8.8543 124.5363 53.0860 18.5433 175.2657 108 S 4.3916 8.6634 111.1870 58.4370 64.0895 175.3832 109 G 4.2464 8.3943 104.0934 45.1150 0.0000 170.0999 110 Y 4.5849 8.3876 120.6323 56.7469 40.3919 173.3450 111 D 5.0714 8.6341 126.8515 52.5476 44.5121 175.0497 112 Y 4.8571 8.6223 119.4078 56.8442 39.3308 175.1167 113 R 4.8943 9.2215 125.5905 55.1087 34.5107 175.1884 114 R 4.5305 8.0767 118.6042 55.0669 33.9277 173.4172 115 D 3.3700 7.7940 120.8844 55.6422 40.0167 177.9895 116 D 4.1968 7.7825 122.3541 55.2185 40.7338 175.8611 117 D 4.6691 7.6595 117.5550 54.7082 41.0156 177.6315 118 A 3.9689 8.1266 123.1990 52.4887 18.4343 177.8031 119 G 3.7917 7.8651 104.8152 47.3292 0.0000 175.2577 120 L 4.5655 7.9304 123.3893 55.6567 42.4430 178.9887 121 W 5.7331 7.4937 112.8295 55.4185 32.4226 173.9224 122 S 5.2252 9.5100 114.4923 56.9492 65.7884 172.6362 123 S 5.5193 9.6212 119.0693 57.2295 67.2349 172.3906 124 A 4.6746 8.0656 120.5587 50.0561 21.8780 174.3602 125 D 4.7129 8.9210 123.6443 52.5216 43.3291 174.6960 126 L 4.6065 8.3916 129.4636 53.9942 43.9957 175.3320 127 T 5.2028 8.4185 115.6269 60.1563 72.0782 172.4058 128 Y 5.0502 9.1040 121.5082 56.2181 42.2538 174.3425 129 V 4.8976 8.5884 122.3517 61.4144 33.1874 175.0876 130 I 5.5779 9.2381 120.6322 58.2586 41.4356 174.2078 131 T 5.3501 8.0244 113.9645 60.5158 72.1424 172.3049 132 Y 5.0707 8.3377 123.2599 57.4125 42.2165 175.1829 133 E 4.8872 8.8098 113.9609 55.3113 30.5191 173.7357 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 H 8.44 4.58 0.00 3.08 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 K 8.60 4.29 0.00 1.83 1.75 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.24 7.81 6 H 7.92 4.10 0.00 3.12 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.75 3.85 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 1.04 0.00 0.00 8 E 8.05 3.88 0.00 2.08 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 2.41 2.39 0.00 9 L 7.76 3.88 0.00 1.71 1.58 0.25 0.55 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 10 R 7.79 3.91 0.00 1.83 1.98 0.00 3.35 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 11 A 8.25 3.83 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 12 A 8.31 3.97 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 13 V 7.46 3.55 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 1.02 0.00 0.00 0.91 0.00 0.00 14 L 8.65 3.97 0.00 1.75 1.78 0.95 1.24 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 15 D 8.47 4.17 0.00 2.60 2.64 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 16 A 7.36 3.95 1.25 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 0.00 0.00 17 L 7.71 4.18 0.00 1.69 2.07 1.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.74 3.65 0.00 1.82 1.71 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 1.47 1.47 0.00 19 K 8.05 3.83 0.00 1.83 1.95 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 *20 H 8.35 4.25 0.00 2.97 2.79 0.00 7.28 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 21 D 8.15 4.64 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.58 5.00 4.32 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 1.30 0.00 0.00 23 G 8.51 4.36 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 0.00 24 A 8.04 4.83 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.49 4.36 4.48 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 1.11 0.00 0.00 26 F 8.90 5.39 0.00 2.88 3.05 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 27 F 9.43 4.71 0.00 2.94 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 28 D 8.79 4.64 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.74 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.77 3.99 0.00 0.67 1.11 0.00 2.86 0.00 0.00 2.58 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.38 0.00 31 P 0.00 4.05 0.00 0.90 1.15 0.00 3.34 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.56 0.00 32 A 8.15 4.24 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.99 4.43 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 0.83 0.00 0.00 0.93 0.00 0.00 34 F 8.40 4.81 0.00 2.95 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 35 D 8.34 4.80 0.00 2.57 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.16 4.16 0.00 1.88 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 2.33 1.93 0.00 37 A 7.86 4.24 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 38 D 8.61 4.47 0.00 2.40 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 39 F 7.16 4.56 0.00 3.09 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.39 0.00 0.99 0.49 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 41 A 8.49 5.21 1.09 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 0.00 0.00 42 V 8.73 4.97 1.77 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 1.25 0.00 0.00 0.86 0.00 0.00 43 A 9.62 5.45 1.48 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 0.00 0.00 44 V 8.69 4.98 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 1.00 0.00 0.00 1.06 0.00 0.00 45 Y 8.36 5.17 0.00 3.11 2.95 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 46 L 8.87 5.70 0.00 1.53 1.61 0.63 0.84 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 47 T 8.35 4.60 4.38 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 1.39 0.00 0.00 48 G 9.10 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 49 A 8.15 4.80 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 50 E 9.27 4.58 0.00 1.90 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 2.49 2.15 0.00 51 Y 7.19 2.98 0.00 1.63 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 0.00 0.00 0.00 0.00 52 T 7.33 4.15 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 0.99 0.00 0.00 53 G 8.18 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 0.00 0.00 0.00 54 E 8.58 4.51 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.86 0.00 *58 S 7.89 4.39 0.00 3.97 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 59 D 8.42 4.98 0.00 2.85 2.91 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 60 T 7.61 4.59 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 61 W 8.96 4.88 0.00 2.31 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 62 Q 9.00 5.16 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 63 A 9.27 5.07 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 64 E 9.08 4.90 0.00 2.14 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 2.09 2.22 0.00 65 L 9.47 4.94 0.00 1.80 1.74 0.88 0.38 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 66 H 9.08 5.30 0.00 1.40 2.82 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.45 4.68 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 1.04 0.00 0.00 68 E 9.65 4.97 0.00 2.10 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 1.47 2.07 0.00 69 V 8.25 4.73 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 0.56 0.00 0.00 0.99 0.00 0.00 70 F 9.42 5.12 0.00 2.58 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 71 L 8.53 4.35 0.00 1.34 1.24 0.88 0.83 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 72 P 0.00 3.76 0.00 1.77 1.89 0.00 3.42 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 73 A 8.54 3.54 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 74 Q 7.39 4.29 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.67 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 75 V 7.01 4.54 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 0.91 0.00 0.00 0.91 0.00 0.00 76 P 0.00 4.35 0.00 2.20 2.16 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 77 A 8.73 4.02 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.09 4.12 0.00 3.89 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 79 E 8.35 4.01 0.00 2.24 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 2.38 2.38 0.00 80 L 7.90 4.06 0.00 1.97 1.83 1.05 0.98 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 81 D 8.39 4.70 0.00 2.73 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 82 A 8.55 5.04 1.47 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 0.00 0.00 83 W 8.10 3.77 0.00 3.65 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 *85 E 8.14 4.60 0.00 2.25 2.25 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 2.49 2.33 0.00 86 S 8.00 4.25 0.00 3.84 3.79 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 87 R 8.17 4.50 0.00 1.42 1.84 0.00 2.21 0.00 0.00 2.77 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.00 88 I 7.00 4.54 2.08 0.00 0.00 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 1.55 1.61 1.09 0.00 0.00 89 Y 8.35 4.40 0.00 2.97 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.31 0.00 2.09 2.10 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 91 V 7.56 3.47 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 0.90 0.00 0.00 1.02 0.00 0.00 *93 S 8.32 4.24 0.00 3.70 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 94 D 7.74 4.65 0.00 2.65 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 95 I 7.83 4.61 1.79 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 1.41 0.51 0.85 0.00 0.00 96 P 0.00 4.16 0.00 2.23 2.32 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 97 A 7.83 3.92 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 98 L 7.79 3.96 0.00 1.70 1.77 0.84 0.68 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 99 S 8.12 4.07 0.00 3.90 4.04 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 0.00 100 D 8.04 4.46 0.00 2.80 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 0.00 101 L 7.76 4.44 0.00 1.72 1.69 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.96 4.69 2.13 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 1.64 0.68 0.91 0.00 0.00 103 T 8.60 4.48 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 1.26 0.00 0.00 104 S 7.47 4.57 0.00 3.89 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 *106 V 8.19 4.28 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 0.81 0.00 0.00 0.98 0.00 0.00 107 A 8.85 3.74 1.24 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 0.00 0.00 108 S 8.66 4.39 0.00 3.83 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 0.00 109 G 8.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.39 4.58 0.00 2.83 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 0.00 111 D 8.63 5.07 0.00 2.54 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.62 4.86 0.00 2.88 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 0.00 113 R 9.22 4.89 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 114 R 8.08 4.53 0.00 1.53 1.62 0.00 3.27 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.19 0.00 115 D 7.79 3.37 0.00 1.58 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 0.00 116 D 7.78 4.20 0.00 2.75 2.50 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 0.00 117 D 7.66 4.67 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.13 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 3.79 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 0.00 120 L 7.93 4.57 0.00 1.39 1.68 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.49 5.73 0.00 3.40 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 0.00 122 S 9.51 5.23 0.00 3.95 3.64 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 0.00 123 S 9.62 5.52 0.00 3.25 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 0.00 124 A 8.07 4.67 0.94 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 0.00 125 D 8.92 4.71 0.00 2.64 2.39 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 0.00 126 L 8.39 4.61 0.00 1.67 1.63 1.05 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 0.00 127 T 8.42 5.20 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 0.89 0.00 0.00 128 Y 9.10 5.05 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 0.00 129 V 8.59 4.90 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 0.84 0.00 0.00 0.97 0.00 0.00 130 I 9.24 5.58 2.02 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 1.16 2.19 0.97 0.00 0.00 131 T 8.02 5.35 4.23 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 1.23 0.00 0.00 132 Y 8.34 5.07 0.00 3.17 3.15 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 0.00 0.00 0.00 0.00 133 E 8.81 4.89 0.00 1.98 1.72 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 2.12 1.79 0.00 * Residues marked with a * may have inaccurate shift predictions.