NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4213 8.0333 117.3814 63.7935 70.7908 176.0705 3 E 4.0642 8.0791 120.6133 58.3620 29.3488 177.3181 4 N 4.2781 8.3824 117.0133 56.7180 39.4754 176.1924 5 L 4.0144 7.9052 121.1748 58.1598 42.0170 177.9005 6 Y 4.0505 8.4012 118.9591 61.0308 38.8846 177.9228 7 F 4.0070 8.7980 117.4512 60.6059 39.3021 177.2331 8 Q 4.2959 8.8395 119.8259 58.7917 28.7135 178.8316 9 G 3.7504 8.2351 104.2957 45.4773 0.0000 175.2983 *11 S 4.3641 8.0196 118.6532 58.3461 65.0079 175.9989 12 D 4.3556 8.1631 120.0122 57.3745 40.3736 179.1733 13 V 3.5347 7.9451 118.7845 65.8546 31.6495 178.0616 14 I 3.7900 7.6243 119.0221 64.7313 37.0965 178.2422 15 E 4.1563 8.5771 119.5456 59.0516 29.1569 179.7522 16 G 3.5987 8.3582 106.4048 47.8348 0.0000 176.0276 17 R 4.2419 8.1607 122.0812 58.3553 30.0999 178.9705 18 L 4.0504 7.8803 119.7595 58.0472 42.0351 179.1073 19 K 4.2231 8.0991 119.8436 59.0533 31.6720 179.1232 20 E 3.9656 8.4673 118.7790 59.0481 29.1417 178.5861 21 L 4.3982 7.4452 116.8998 54.8668 42.0986 177.5263 22 G 3.7933 8.0522 107.2676 44.8549 0.0000 173.4818 23 F 4.9163 8.2628 118.7847 55.5518 41.4965 174.6270 24 T 4.6265 8.2284 113.9112 59.4552 70.9154 174.1779 25 L 4.1370 8.3110 123.9315 54.0311 42.2056 175.6111 26 P 4.5589 0.0000 0.0000 61.9327 32.5941 177.8751 27 V 3.6468 7.8355 117.6064 62.4853 31.9278 174.3706 *33 A 4.0674 8.1846 120.6787 52.1673 19.2675 176.6974 34 N 4.5758 8.6468 115.6102 54.7719 38.9589 175.2247 35 Y 4.8911 7.7028 115.7678 54.9678 39.1988 175.2158 36 V 4.3536 7.8888 113.9583 58.6284 34.9194 174.9412 37 P 4.6008 0.0000 0.0000 65.3939 32.1255 175.6057 38 F 5.5619 6.8058 113.1312 56.3428 40.9717 173.4058 39 T 5.0025 9.1999 109.4683 60.2732 72.6861 172.5078 40 I 5.2314 8.4744 122.1293 59.6949 40.6746 175.1067 41 S 4.5683 9.2226 120.9508 57.2485 65.6839 173.7714 42 G 3.9448 8.4939 118.0070 47.2544 0.0000 173.3961 43 N 4.9141 8.8696 121.2483 52.0141 37.5876 172.9472 44 L 5.0828 8.2341 119.7243 53.5283 44.3157 175.0065 45 L 5.1138 9.0219 126.7255 53.7205 44.2686 174.4518 46 Y 4.8286 9.4195 125.3265 56.5945 39.7837 174.7545 47 V 4.8760 8.9040 125.6822 61.0965 33.4411 175.6660 48 S 4.5112 9.1470 124.6310 58.2702 63.7714 174.4049 49 G 4.0809 8.7553 108.7869 46.7838 0.0000 172.6028 50 Q 4.9084 9.2688 124.8092 54.3291 31.5286 175.2282 51 L 5.0534 8.3652 122.1744 52.3061 44.8085 174.0084 52 P 4.4148 0.0000 0.0000 62.3870 33.2390 175.1060 *54 E 4.2330 8.5899 122.1945 57.4161 30.5171 175.7156 55 S 3.5535 9.8415 122.7216 59.7851 60.5663 173.2754 56 G 3.9544 8.5372 104.7200 45.5530 0.0000 173.7746 57 K 4.5901 7.6634 117.2737 53.9771 35.8305 176.1929 58 I 3.9704 8.2333 122.3341 61.3247 37.1487 176.1673 59 A 4.2473 8.9090 129.8245 53.4573 19.4154 177.4332 60 V 4.3720 7.6187 115.5393 61.4602 33.9900 174.0707 61 T 4.9728 8.4657 116.2167 60.4449 71.7567 173.7153 62 G 3.8678 9.0637 109.0221 44.7727 0.0000 172.1357 63 L 4.5196 8.7188 118.6200 53.2073 42.7889 177.0475 64 V 3.7348 8.4781 124.6192 64.0774 31.6986 176.8031 65 G 4.0515 9.0985 116.0760 45.2952 0.0000 172.8883 66 R 4.3972 7.2345 116.4147 57.3006 32.0304 175.5322 67 D 4.6360 8.6479 117.5740 55.0907 42.0177 177.3805 68 V 4.3535 7.2743 117.7810 60.1453 34.7493 174.5087 69 D 5.0346 8.2398 126.3700 52.0538 42.5868 177.5851 70 V 3.5684 8.1710 117.4561 66.0321 31.5033 177.5360 71 A 4.2658 7.8402 121.3248 54.9120 18.3405 179.6593 72 S 4.0913 8.8432 113.8758 61.6866 62.7802 176.8593 73 A 4.0438 8.1891 123.5116 55.0343 17.9484 179.7108 74 Q 4.1113 8.5894 117.3131 59.1328 28.6758 178.8874 75 R 4.5636 8.2989 120.7289 58.7648 30.0431 178.3657 76 A 3.9643 8.0252 120.3877 55.2153 18.3442 179.3421 77 A 3.9375 8.2471 119.4758 55.3711 18.3799 179.6441 78 E 3.7246 8.3457 117.0751 59.5555 29.5098 179.6291 79 L 3.8379 8.0671 119.1015 57.8591 41.5824 179.2276 80 C 4.1742 8.4209 116.8367 62.8972 28.0303 176.0621 81 A 3.8867 8.1086 122.3727 55.2365 17.8759 179.8739 82 V 3.4078 7.7284 116.7329 66.1440 31.5368 178.0519 83 N 4.3347 8.3439 116.4071 56.1221 38.2499 177.3823 84 I 3.7027 7.9757 121.5022 64.5423 37.1647 178.4770 85 L 3.9166 8.1448 119.6194 57.5615 41.3721 179.3528 86 A 3.9810 8.2313 120.9664 55.3825 18.2540 179.7460 87 Q 4.0341 8.1441 116.4765 59.0562 28.8084 179.1523 88 V 3.3444 7.9839 119.5336 65.6953 31.4892 177.8800 89 K 3.8231 8.2523 119.3803 59.5013 32.1433 178.5551 90 A 3.9720 7.9710 120.7117 55.2039 18.1257 179.4381 91 A 3.4662 7.5938 118.3678 54.2412 18.2927 178.8330 92 L 4.4419 7.5717 115.7298 53.5328 42.0913 176.4221 93 N 4.1657 9.1333 114.3110 54.5022 36.4788 175.4368 94 G 3.9520 8.7591 106.2614 45.1613 0.0000 174.2743 95 D 5.0399 7.4910 119.5481 50.9016 41.0000 176.1540 96 L 4.0758 8.1747 125.5530 56.6465 42.0071 179.5123 97 S 4.2082 7.9303 112.0411 60.2467 63.4023 175.0278 98 K 5.2026 8.1418 119.5723 56.6279 32.0403 176.6216 99 I 4.1142 7.4490 121.3376 61.5832 37.3960 175.9038 100 R 4.3141 9.0686 125.6192 58.4078 31.0786 177.2820 101 R 4.7198 7.4770 117.2005 55.0129 33.8407 173.9103 102 V 4.0596 8.8827 127.3317 62.8910 32.0131 176.5482 103 I 3.8998 8.7619 130.3233 63.9466 38.3348 176.3929 104 K 5.0006 7.7029 121.3775 55.1781 35.7973 174.2384 105 L 5.0864 8.8266 126.7860 52.9750 45.1021 175.0445 106 N 4.7761 8.8361 120.8104 51.4567 40.9558 173.9301 107 G 3.9443 8.7497 112.8355 44.5026 0.0000 171.9403 108 F 5.4576 9.0855 126.2027 55.8367 41.4077 175.1230 109 V 4.7569 8.9215 125.0874 60.5814 33.8704 174.5838 110 A 4.4651 9.0540 131.3859 52.5296 19.1081 176.2814 111 S 5.1343 8.5091 117.8376 56.8774 67.1500 174.8144 112 V 3.9862 8.4168 116.5155 60.6250 32.2113 175.9323 113 P 4.3735 0.0000 0.0000 65.3062 31.3627 177.7231 114 E 4.1478 8.1245 116.0463 57.5105 29.8635 176.2408 115 F 4.5396 8.0362 122.3253 57.6877 39.7058 175.3959 116 V 4.5089 7.1699 120.0147 60.0666 33.2676 175.4515 117 E 4.5329 5.9000 118.0961 55.7734 29.8932 178.5474 118 Q 4.2871 8.0061 120.3634 59.2295 28.8457 177.7343 119 H 4.2657 8.2844 115.9971 58.7825 28.3168 177.5951 120 L 3.9648 7.2610 120.2946 57.1651 41.7903 179.1625 121 V 3.7780 7.8223 118.2455 66.3055 31.5203 178.3197 122 I 3.8506 7.9442 119.0511 63.9251 36.8110 177.8660 123 N 4.3531 8.3576 117.9509 56.2379 38.3525 177.2397 124 G 3.6835 8.1795 106.9388 47.8007 0.0000 175.6276 125 A 3.9109 7.8421 122.8041 54.9596 18.6086 179.7227 126 S 4.1600 8.2695 113.9221 61.8793 62.9245 176.8035 127 N 4.3584 8.5639 119.5741 56.0667 38.3168 177.2318 128 L 3.9404 7.7993 121.4764 58.2208 42.2480 179.1119 129 I 3.6239 8.0421 119.7876 64.4422 37.0660 178.3783 130 A 4.0420 8.1197 121.5141 55.3314 17.9071 179.8965 131 T 3.8081 7.8247 113.6261 66.8737 68.6520 176.9519 132 V 3.8903 7.6283 112.5544 63.0055 31.8798 177.6273 133 L 4.4567 7.8188 116.7406 55.1620 43.1622 178.8166 134 G 3.7705 8.3771 107.7252 45.3771 0.0000 174.6236 135 E 3.8750 8.9458 119.0201 59.0063 29.8424 178.1102 136 P 4.3029 0.0000 0.0000 65.2341 31.4765 178.3292 137 G 3.7054 8.0114 106.1976 47.2627 0.0000 174.0801 138 R 4.1373 7.8414 120.5027 56.1036 30.5878 175.4872 139 H 5.3608 8.2118 116.7368 52.2650 32.1071 172.9719 140 A 4.3083 8.5282 121.5526 52.6048 19.6065 176.3372 141 R 5.6485 8.3232 116.7309 56.3070 33.2435 173.8085 142 A 4.9003 8.4614 124.4038 49.9996 22.7326 174.8320 143 A 5.0678 8.4896 121.5295 50.3645 21.7266 175.8977 144 V 4.5326 8.9229 115.1256 59.9348 36.6730 175.2660 145 G 4.4987 8.6647 109.8989 44.5009 0.0000 173.3810 *147 A 4.4634 8.4692 121.8709 51.6540 20.2728 176.6927 148 S 4.6209 7.2760 106.9784 58.4793 64.9698 175.3059 149 L 4.7698 7.4535 119.0371 52.0377 45.8127 174.1673 150 P 4.1864 0.0000 0.0000 64.6397 31.5871 176.9102 151 F 3.6693 8.8410 118.7429 58.0383 36.5602 174.7041 152 N 4.1887 8.3000 116.3615 54.1778 37.7501 173.6893 153 A 4.4959 7.9553 118.4072 52.5087 18.9558 179.0566 154 S 4.5643 8.5953 116.9107 60.3466 64.0903 174.5303 155 V 5.0450 7.5540 117.5409 61.3773 34.6037 173.6426 156 E 5.0966 9.4940 126.9044 54.7388 33.5263 174.1463 157 I 5.5061 9.1685 126.1282 58.8415 41.7317 174.2839 158 D 5.3859 8.7494 125.2415 51.9586 43.0252 174.4641 159 A 5.0900 8.4672 118.7052 50.7751 23.3016 175.1907 160 I 4.6562 8.6190 120.3568 59.3279 40.7192 174.9958 161 V 4.6751 8.6206 126.3882 60.9261 34.9548 173.7820 162 E 4.8772 9.4219 129.8453 55.6798 30.6534 175.2072 163 I 5.1073 8.7138 120.4211 58.8965 41.4156 175.1614 164 D 4.6244 8.7622 121.4716 53.6538 39.7295 176.2661 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 2 T 8.03 4.42 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 1.25 0.00 0.00 3 E 8.08 4.06 0.00 2.09 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 2.42 2.44 0.00 4 N 8.38 4.28 0.00 2.82 2.84 0.00 0.00 6.85 6.66 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 5 L 7.91 4.01 0.00 1.85 1.91 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.40 4.05 0.00 3.09 3.41 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 7 F 8.80 4.01 0.00 3.24 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 8 Q 8.84 4.30 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 9 G 8.24 3.75 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 0.00 0.00 0.00 *11 S 8.02 4.36 0.00 4.07 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 12 D 8.16 4.36 0.00 2.84 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 V 7.95 3.53 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 1.06 0.00 0.00 0.93 0.00 0.00 14 I 7.62 3.79 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.75 0.88 0.00 0.00 15 E 8.58 4.16 0.00 1.99 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 2.32 2.47 0.00 16 G 8.36 3.60 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 0.00 17 R 8.16 4.24 0.00 2.05 2.00 0.00 3.24 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 18 L 7.88 4.05 0.00 1.81 1.89 0.95 0.28 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 19 K 8.10 4.22 0.00 2.04 1.85 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 20 E 8.47 3.97 0.00 2.21 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 2.33 2.56 0.00 21 L 7.45 4.40 0.00 1.97 1.95 0.99 1.06 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 22 G 8.05 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 23 F 8.26 4.92 0.00 3.11 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 24 T 8.23 4.63 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 1.22 0.00 0.00 25 L 8.31 4.14 0.00 1.67 1.66 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.56 0.00 2.19 2.07 0.00 3.78 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 1.99 1.96 0.00 27 V 7.84 3.65 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 0.80 0.00 0.00 0.94 0.00 0.00 *33 A 8.18 4.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.65 4.58 0.00 2.82 2.94 0.00 0.00 6.73 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 35 Y 7.70 4.89 0.00 3.05 2.85 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 36 V 7.89 4.35 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 0.76 0.00 0.00 0.94 0.00 0.00 37 P 0.00 4.60 0.00 2.40 2.33 0.00 3.39 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 38 F 6.81 5.56 0.00 3.20 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 39 T 9.20 5.00 4.30 0.00 0.00 0.00 0.00 0.00 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 40 I 8.47 5.23 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 0.98 0.00 0.00 41 S 9.22 4.57 0.00 3.78 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 42 G 8.49 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 43 N 8.87 4.91 0.00 3.19 3.03 0.00 0.00 5.81 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 44 L 8.23 5.08 0.00 1.88 1.60 0.98 0.70 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 45 L 9.02 5.11 0.00 1.70 1.67 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 9.42 4.83 0.00 2.96 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 47 V 8.90 4.88 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 1.05 0.00 0.00 0.96 0.00 0.00 48 S 9.15 4.51 0.00 3.99 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 49 G 8.76 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 0.00 0.00 0.00 50 Q 9.27 4.91 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 51 L 8.37 5.05 0.00 1.51 1.62 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.41 0.00 2.21 2.34 0.00 3.49 0.00 0.00 3.93 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 *54 E 8.59 4.23 0.00 2.10 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 2.31 2.41 0.00 55 S 9.84 3.55 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.54 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 57 K 7.66 4.59 0.00 1.72 1.65 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.56 7.81 58 I 8.23 3.97 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.94 0.00 0.00 59 A 8.91 4.25 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 60 V 7.62 4.37 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 1.05 0.00 0.00 0.95 0.00 0.00 61 T 8.47 4.97 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 1.25 0.00 0.00 62 G 9.06 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 0.00 0.00 0.00 63 L 8.72 4.52 0.00 1.68 1.57 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 72 S 8.84 4.09 0.00 3.99 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 73 A 8.19 4.04 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 74 Q 8.59 4.11 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 75 R 8.30 4.56 0.00 2.01 2.18 0.00 3.59 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 76 A 8.03 3.96 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 0.00 0.00 0.00 0.00 0.00 77 A 8.25 3.94 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 78 E 8.35 3.72 0.00 2.18 1.55 0.00 0.00 0.00 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 2.47 0.00 79 L 8.07 3.84 0.00 1.84 1.71 0.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.42 4.17 0.00 3.08 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 81 A 8.11 3.89 1.26 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 0.00 0.00 82 V 7.73 3.41 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 1.12 0.00 0.00 0.40 0.00 0.00 83 N 8.34 4.33 0.00 2.99 3.05 0.00 0.00 7.01 7.00 0.00 0.00 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 I 7.98 3.70 2.00 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 1.53 0.84 0.88 0.00 0.00 85 L 8.14 3.92 0.00 1.80 1.68 0.86 0.95 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 86 A 8.23 3.98 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 87 Q 8.14 4.03 0.00 2.30 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 88 V 7.98 3.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 97 S 7.93 4.21 0.00 3.70 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 98 K 8.14 5.20 0.00 2.03 2.05 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.75 1.75 7.81 99 I 7.45 4.11 1.92 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 1.26 0.50 0.91 0.00 0.00 100 R 9.07 4.31 0.00 1.76 1.98 0.00 3.21 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 101 R 7.48 4.72 0.00 1.88 1.70 0.00 3.26 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 102 V 8.88 4.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.89 0.00 0.00 103 I 8.76 3.90 1.94 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 1.21 0.77 0.87 0.00 0.00 104 K 7.70 5.00 0.00 1.80 1.52 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.49 7.81 105 L 8.83 5.09 0.00 1.54 1.40 0.72 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.84 4.78 0.00 2.66 2.15 0.00 0.00 6.56 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 0.00 107 G 8.75 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 0.00 108 F 9.09 5.46 0.00 3.10 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 0.00 109 V 8.92 4.76 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 1.04 0.00 0.00 1.01 0.00 0.00 110 A 9.05 4.47 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 0.00 111 S 8.51 5.13 0.00 3.84 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 0.00 112 V 8.42 3.99 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 0.78 0.00 0.00 1.11 0.00 0.00 113 P 0.00 4.37 0.00 2.06 2.14 0.00 3.71 0.00 0.00 3.69 0.00 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130 A 8.12 4.04 1.39 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 0.00 0.00 131 T 7.82 3.81 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 1.22 0.00 0.00 132 V 7.63 3.89 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 0.81 0.00 0.00 0.99 0.00 0.00 133 L 7.82 4.46 0.00 1.72 1.68 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.38 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.95 3.88 0.00 2.04 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 2.37 2.40 0.00 136 P 0.00 4.30 0.00 2.19 2.30 0.00 3.75 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 2.09 2.08 0.00 137 G 8.01 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 0.00 138 R 7.84 4.14 0.00 1.88 1.83 0.00 3.09 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 139 H 8.21 5.36 0.00 3.07 3.31 0.00 5.14 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.53 4.31 1.33 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 0.00 0.00 141 R 8.32 5.65 0.00 1.84 1.75 0.00 2.99 0.00 0.00 3.87 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 142 A 8.46 4.90 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 0.00 143 A 8.49 5.07 1.19 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 0.00 0.00 144 V 8.92 4.53 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 0.74 0.00 0.00 1.20 0.00 0.00 145 G 8.66 4.50 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 *147 A 8.47 4.46 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 0.00 148 S 7.28 4.62 0.00 3.92 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 0.00 149 L 7.45 4.77 0.00 1.88 1.57 1.10 1.01 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 0.00 150 P 0.00 4.19 0.00 2.38 1.98 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 151 F 8.84 3.67 0.00 3.23 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 0.00 152 N 8.30 4.19 0.00 3.03 2.89 0.00 0.00 7.09 8.24 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 0.00 153 A 7.96 4.50 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 0.00 154 S 8.60 4.56 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 7.55 5.04 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 0.76 0.00 0.00 0.99 0.00 0.00 156 E 9.49 5.10 0.00 2.14 1.93 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 2.43 2.51 0.00 157 I 9.17 5.51 1.86 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 0.87 0.51 0.90 0.00 0.00 158 D 8.75 5.39 0.00 3.12 3.01 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 0.00 159 A 8.47 5.09 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 0.00 160 I 8.62 4.66 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.50 0.43 0.00 0.00 161 V 8.62 4.68 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 0.90 0.00 0.00 0.86 0.00 0.00 162 E 9.42 4.88 0.00 2.02 1.78 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 2.29 2.34 0.00 163 I 8.71 5.11 1.87 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 1.45 0.86 0.88 0.00 0.00 164 D 8.76 4.62 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.