NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1260 8.1633 120.7155 55.2500 34.0673 173.8746 2 R 4.8860 8.3257 117.2387 52.7269 34.4419 169.6748 3 V 4.9435 8.4970 122.1014 60.3416 35.5176 173.6160 4 V 4.5557 8.8484 125.9988 61.5799 33.2240 174.3457 5 I 4.9531 9.0038 129.8459 59.9906 39.0565 174.7890 6 Q 5.7667 8.8437 126.0336 53.3774 32.2019 174.5953 7 R 5.0647 8.3744 121.7255 54.9289 32.7309 175.2016 8 V 5.0167 8.6020 120.0006 60.3705 35.6185 177.2431 9 K 4.2823 8.8428 126.6744 57.1787 32.3953 177.3057 10 G 4.2443 7.5713 104.2331 46.0761 0.0000 171.6675 11 A 5.5866 8.0023 119.9698 50.3562 23.1717 175.9299 12 I 4.9554 7.9089 118.6757 59.3559 38.0136 174.1424 13 L 4.2649 8.3399 126.8210 55.2700 43.2179 175.8325 14 S 5.2427 9.1355 121.2297 57.0637 66.8268 174.7596 15 V 4.6606 8.3412 114.1129 61.3015 33.4523 175.7393 *28 E 4.0903 7.9830 118.6759 55.6514 30.5605 175.1487 29 I 4.2776 8.6034 122.4083 61.0284 37.6851 175.4305 30 I 4.4035 8.7189 119.1587 61.3672 39.7555 176.0469 31 S 4.9452 7.7287 116.9461 56.8263 66.3262 172.9530 32 E 5.0890 8.3435 120.4261 55.4612 32.5180 174.3139 33 I 5.3498 8.4132 121.2661 58.8627 41.3637 175.2728 34 K 4.6766 8.9295 129.7939 53.8724 30.4722 177.5883 35 N 4.5300 8.5730 115.5435 54.4313 39.8354 174.0155 36 G 4.5559 6.9870 109.5136 45.8995 0.0000 172.2658 37 L 5.2841 8.6414 123.9600 52.9449 46.4095 174.7622 38 I 4.7720 8.5388 123.2073 59.5464 40.2254 173.9842 39 C 5.0926 8.9510 126.8461 58.1121 31.2372 173.0235 40 F 4.8862 9.3147 123.7639 56.6221 40.6772 175.3886 41 L 4.9715 9.0850 125.0442 54.2328 45.5160 174.3030 42 G 4.6658 9.1197 114.0971 44.7329 0.0000 171.9594 43 I 4.7267 8.4634 123.4343 59.5360 39.3192 174.9950 44 H 3.7384 10.2714 131.1285 55.5451 30.6070 176.5737 45 K 3.6762 7.3201 125.8122 57.8162 31.4212 178.1244 46 N 4.8640 7.8073 113.6028 52.8585 38.6127 174.6313 47 D 5.0471 8.1171 119.7877 54.0247 40.5342 176.7166 48 T 4.6998 8.3396 116.2817 60.9258 71.1826 174.6241 49 W 4.3605 8.8914 128.8806 60.1589 30.9178 178.6440 50 E 4.0842 8.0011 117.8871 59.8624 28.8644 178.5804 51 D 4.4045 8.2107 117.9391 57.4779 40.8912 178.6083 52 A 3.9779 7.5039 121.3623 55.2257 17.8068 179.4678 53 L 3.7754 7.1620 117.2076 58.1143 41.7413 178.8692 54 Y 4.1381 8.0249 118.6290 61.7948 38.5830 177.4598 55 I 3.7862 8.0867 120.2919 62.7890 36.7075 178.0509 56 I 2.9293 8.3580 125.4992 65.4314 37.6208 177.4802 57 R 3.7390 9.1128 120.1614 58.0411 29.8384 178.0642 58 K 3.6228 8.1287 119.5294 59.6611 32.1744 179.1406 59 C 4.2532 7.7085 116.2904 62.9455 28.2500 175.7402 60 L 4.1791 8.2846 120.2512 56.3782 41.0850 178.0063 61 N 4.7543 7.7800 113.0343 52.6151 40.5409 174.5210 62 L 4.0819 7.4802 119.5512 54.3803 42.1386 176.8006 63 R 4.4420 8.6416 123.0877 56.2954 28.6176 176.2991 64 L 5.0831 8.6199 120.6488 53.9535 43.7032 176.2582 65 W 4.6057 8.9094 119.2919 55.0479 32.5987 174.9573 66 N 4.5288 8.5577 120.3040 50.9686 37.1183 171.7813 67 N 3.9443 9.0871 118.2951 54.7431 39.0657 174.8133 68 D 3.9417 8.3993 122.8520 53.9590 41.2212 174.3954 69 N 4.4759 9.2433 131.7623 54.7104 37.2112 175.7578 70 K 4.0773 7.9047 119.4668 54.0786 32.2378 177.9227 71 T 4.3493 8.0721 112.8533 59.2035 71.7493 174.4737 72 W 4.0029 7.5950 118.7607 57.6699 26.5959 174.1385 73 D 4.8156 7.9698 118.9358 54.5618 43.6789 175.7053 74 K 4.6225 8.6167 119.2718 54.3357 34.1210 175.8840 75 N 5.8814 8.4635 123.6994 51.3733 40.1600 175.8564 76 V 3.5557 8.5569 118.4764 66.6103 31.2975 177.5755 77 K 3.8815 7.6048 117.5976 59.9962 31.9109 178.8642 78 D 4.3549 8.0730 117.4940 57.4483 40.9508 178.8708 79 L 3.8300 7.1228 115.3782 53.4910 42.7054 176.0330 80 N 4.7347 8.0947 115.3403 53.7613 36.7334 173.0825 81 Y 5.1154 7.3676 118.6085 57.7592 39.6282 174.2870 82 E 5.1685 8.4583 121.9653 56.1101 35.1344 175.7858 83 L 5.2626 8.5100 119.6735 53.5644 44.8742 174.6572 84 L 4.8775 8.3576 126.0252 54.7407 43.0796 175.3088 85 I 4.8329 8.2900 125.9681 59.5002 40.4965 174.4435 86 V 4.4581 9.3963 127.7421 60.9284 35.0814 174.2975 87 S 5.0297 8.5734 121.8007 57.7637 63.0163 173.7980 88 Q 4.5571 9.3639 127.7624 53.5660 28.9440 176.2623 89 F 4.5049 8.4860 118.5487 59.1015 38.9350 178.4548 90 T 3.7685 6.7252 111.7432 64.5900 68.2074 175.3775 91 L 4.1481 7.7748 119.2577 55.9618 41.6110 177.0134 92 F 4.9205 8.8217 118.9834 57.2904 40.3657 175.7340 93 G 4.0173 8.3513 108.8285 44.4696 0.0000 171.7940 94 N 4.4285 8.9189 125.1312 54.5561 39.9463 174.7585 95 T 4.4583 8.5413 115.7812 61.4629 70.0321 176.8050 96 K 3.9060 8.1442 124.4488 60.2431 32.2550 179.0283 97 K 4.1886 8.0925 119.0651 54.9847 32.4917 179.9119 98 G 4.0128 6.2136 103.4026 46.7849 0.0000 171.5814 99 N 4.5240 8.3967 115.9141 53.9394 40.0031 174.8766 100 K 4.0888 7.8576 119.0213 54.6101 31.4969 174.3729 101 P 4.5816 0.0000 0.0000 62.0620 32.2136 175.0069 102 D 4.4306 7.7690 116.1701 51.7820 42.3430 175.2953 103 F 5.7076 8.1613 116.7991 56.6048 40.1356 177.2540 104 H 3.9646 8.2122 120.1455 59.2127 28.3119 176.2283 105 L 4.1952 8.1171 118.1438 54.9515 41.9206 174.5839 106 A 4.5490 7.8226 119.8227 49.5830 20.6328 177.0791 107 K 3.6058 9.1718 125.5289 57.2293 32.9992 175.7029 108 E 3.6406 8.7245 126.1106 55.7307 29.9971 175.7558 109 P 4.3478 0.0000 0.0000 66.3586 31.9838 178.0421 110 N 4.3903 9.5370 115.6393 56.4776 38.6547 177.3883 111 E 4.0105 9.0975 120.0362 59.4530 29.5432 179.3605 112 A 4.1431 8.1591 120.6160 54.6902 18.2844 179.5069 113 L 3.3111 7.7816 119.3551 58.3755 42.2923 179.2599 114 I 3.8396 7.6636 118.7967 63.5400 37.0681 178.1844 115 F 3.9523 8.2714 121.9216 61.4021 39.4470 176.1776 116 Y 4.3128 8.5435 119.2392 61.0357 38.4715 177.6831 117 N 4.4455 8.7453 119.7012 57.4280 38.5145 178.2577 118 K 4.1856 8.1820 124.1783 59.4854 31.7022 181.2669 119 I 4.1821 7.9860 119.2668 64.8998 36.9333 178.5439 120 I 3.8704 7.7862 120.5678 64.2974 36.5592 177.9183 121 D 4.5450 7.9662 119.6648 57.7032 40.6588 178.8120 122 E 4.1693 8.0779 118.1027 59.2464 29.4355 178.6978 123 F 4.0330 8.5379 117.4327 60.5524 39.1664 177.5322 124 K 4.3185 9.1921 121.5340 60.1839 31.6647 179.6928 125 K 3.9249 9.0063 123.3087 60.4745 31.7183 180.3541 126 Q 4.5008 8.8746 118.1787 55.4492 29.2031 175.9102 127 Y 5.0307 8.3520 118.2986 57.4476 38.9016 176.2395 128 N 4.6062 9.3855 118.0792 52.4626 41.7743 173.1647 129 D 4.4199 8.9322 126.7105 56.2435 39.2156 176.8617 130 D 4.8141 9.1115 118.3805 53.9656 41.3121 176.2351 131 K 4.6045 8.2146 113.3924 55.4078 35.1864 176.0025 132 I 4.5944 7.6213 121.5740 59.3984 36.5302 175.1598 133 K 4.4371 8.2286 124.4868 56.0444 33.6712 176.2720 134 I 5.0227 8.2076 115.5038 59.1946 40.7174 174.7938 135 G 4.0040 8.4039 112.7110 45.4877 0.0000 175.1755 136 K 4.2115 9.1240 123.9128 54.6871 30.0089 179.9085 137 F 3.0317 6.5880 122.3068 56.7342 42.4387 175.8487 138 G 4.0619 8.0006 110.8146 45.3881 0.0000 172.0863 139 N 4.9200 7.6184 116.3408 50.7971 41.1702 173.8798 140 Y 3.9272 8.4384 123.1034 57.5573 38.7292 175.2876 141 M 4.6620 7.7942 126.4515 53.7133 34.8897 175.6368 142 N 4.7010 9.6643 120.4962 52.1433 41.7963 172.7932 143 I 4.5257 8.2720 127.1634 59.7493 39.3600 175.8438 144 D 4.6831 8.7137 127.9711 53.1746 40.9852 174.7359 145 V 4.4804 8.1229 122.9293 61.9454 33.2898 175.2883 146 T 4.4597 9.5560 125.9966 62.0321 69.4090 173.5112 147 N 4.9819 8.6355 124.4827 52.9436 39.8387 174.4605 148 D 4.2078 9.8742 123.2316 55.3962 43.3096 173.2931 149 G 3.8156 9.2642 119.0257 44.8011 0.0000 173.6545 150 P 4.4909 0.0000 0.0000 60.8486 33.6121 176.2558 151 V 4.3285 7.9664 117.5363 62.4133 34.0452 173.0121 152 T 5.1955 8.6142 124.7024 61.7836 71.2031 173.8230 153 I 4.5931 9.1557 126.4663 59.5735 40.9045 173.9625 154 Y 5.0878 8.6842 126.8252 56.1283 40.9116 174.2260 155 I 4.2299 7.7897 128.1837 59.6184 39.9300 174.8999 156 D 4.8520 8.0655 124.6337 52.6578 42.5687 175.0872 157 T 3.8959 9.1127 117.9165 65.4534 68.5391 176.3806 158 H 4.1717 7.4254 113.1513 56.0856 28.9802 175.2429 159 D 4.5282 9.0117 126.4347 54.4536 40.8621 176.2101 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 1 M 8.16 5.13 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.33 4.89 0.00 1.36 1.66 0.00 2.89 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 3 V 8.50 4.94 2.12 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 0.85 0.00 0.00 1.08 0.00 0.00 4 V 8.85 4.56 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 0.96 0.00 0.00 1.05 0.00 0.00 5 I 9.00 4.95 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.94 0.00 0.00 6 Q 8.84 5.77 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 7 R 8.37 5.06 0.00 1.64 1.58 0.00 2.21 0.00 0.00 2.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.00 8 V 8.60 5.02 2.40 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 0.79 0.00 0.00 1.03 0.00 0.00 9 K 8.84 4.28 0.00 1.56 1.72 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.26 7.81 10 G 7.57 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 0.00 0.00 0.00 0.00 11 A 8.00 5.59 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 12 I 7.91 4.96 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 1.23 0.81 0.94 0.00 0.00 13 L 8.34 4.26 0.00 1.83 1.52 0.86 0.84 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 14 S 9.14 5.24 0.00 3.78 3.73 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 15 V 8.34 4.66 2.12 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 0.75 0.00 0.00 0.95 0.00 0.00 *28 E 7.98 4.09 0.00 2.18 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 2.28 2.36 0.00 29 I 8.60 4.28 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.96 0.98 0.00 0.00 30 I 8.72 4.40 1.89 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 1.24 0.53 0.96 0.00 0.00 31 S 7.73 4.95 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.34 5.09 0.00 1.93 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 2.18 2.38 0.00 33 I 8.41 5.35 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.36 0.92 0.00 0.00 34 K 8.93 4.68 0.00 1.74 1.45 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.27 7.81 35 N 8.57 4.53 0.00 1.44 1.46 0.00 0.00 6.68 7.74 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 36 G 6.99 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 37 L 8.64 5.28 0.00 1.65 1.56 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.54 4.77 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.03 1.09 0.00 0.00 39 C 8.95 5.09 0.00 2.74 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 40 F 9.31 4.89 0.00 2.92 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 41 L 9.09 4.97 0.00 1.78 1.77 1.17 0.97 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 42 G 9.12 4.67 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 0.00 0.00 0.00 43 I 8.46 4.73 1.89 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 1.29 1.20 0.38 0.00 0.00 44 H 10.27 3.74 0.00 2.60 3.45 0.00 5.61 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.32 3.68 0.00 1.85 1.74 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.31 7.81 46 N 7.81 4.86 0.00 2.81 2.90 0.00 0.00 6.93 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 47 D 8.12 5.05 0.00 2.54 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 48 T 8.34 4.70 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 1.32 0.00 0.00 49 W 8.89 4.36 0.00 3.32 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.00 4.08 0.00 2.14 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 2.42 2.57 0.00 51 D 8.21 4.40 0.00 2.79 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 52 A 7.50 3.98 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 53 L 7.16 3.78 0.00 1.68 1.60 0.32 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.02 4.14 0.00 3.03 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 55 I 8.09 3.79 2.06 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 1.82 0.90 1.00 0.00 0.00 56 I 8.36 2.93 1.39 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.29 -0.21 0.00 0.00 57 R 9.11 3.74 0.00 1.91 1.52 0.00 3.06 0.00 0.00 3.07 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 58 K 8.13 3.62 0.00 1.68 1.72 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.45 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.58 0.92 7.81 59 C 7.71 4.25 0.00 3.38 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 60 L 8.28 4.18 0.00 1.66 1.58 0.71 0.44 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 61 N 7.78 4.75 0.00 2.57 2.77 0.00 0.00 6.96 7.85 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 62 L 7.48 4.08 0.00 1.87 1.63 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.64 4.44 0.00 2.00 2.06 0.00 3.11 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 64 L 8.62 5.08 0.00 1.37 1.28 0.89 1.11 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 65 W 8.91 4.61 0.00 3.28 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 66 N 8.56 4.53 0.00 2.49 2.78 0.00 0.00 6.87 8.00 0.00 0.00 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 N 9.09 3.94 0.00 2.67 3.00 0.00 0.00 7.34 8.47 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 68 D 8.40 3.94 0.00 2.73 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 69 N 9.24 4.48 0.00 3.03 3.01 0.00 0.00 6.13 7.13 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 70 K 7.90 4.08 0.00 1.80 1.65 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.00 7.81 71 T 8.07 4.35 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 1.10 0.00 0.00 72 W 7.59 4.00 0.00 3.38 3.45 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 73 D 7.97 4.82 0.00 2.81 2.67 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 74 K 8.62 4.62 0.00 1.85 1.70 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.46 7.81 75 N 8.46 5.88 0.00 3.02 2.90 0.00 0.00 6.82 7.56 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 76 V 8.56 3.56 1.89 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 1.07 0.00 0.00 1.11 0.00 0.00 77 K 7.60 3.88 0.00 1.89 2.01 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.75 1.50 7.81 78 D 8.07 4.35 0.00 2.73 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 79 L 7.12 3.83 0.00 0.27 0.46 0.36 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.09 4.73 0.00 2.67 2.80 0.00 0.00 6.91 7.81 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 81 Y 7.37 5.12 0.00 2.76 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 82 E 8.46 5.17 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 83 L 8.51 5.26 0.00 1.54 1.46 0.94 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.36 4.88 0.00 1.72 1.47 0.92 1.09 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 85 I 8.29 4.83 1.65 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 0.71 0.00 0.00 86 V 9.40 4.46 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.69 0.00 0.00 87 S 8.57 5.03 0.00 3.48 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 88 Q 9.36 4.56 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.93 0.00 89 F 8.49 4.50 0.00 3.28 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 6.73 3.77 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 0.38 0.00 0.00 91 L 7.77 4.15 0.00 1.61 1.47 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.82 4.92 0.00 3.31 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 93 G 8.35 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 0.00 0.00 0.00 94 N 8.92 4.43 0.00 2.90 2.84 0.00 0.00 6.77 6.50 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 95 T 8.54 4.46 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 96 K 8.14 3.91 0.00 1.87 1.91 0.00 1.75 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.43 7.81 97 K 8.09 4.19 0.00 1.77 1.72 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 98 G 6.21 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.40 4.52 0.00 2.69 2.85 0.00 0.00 6.71 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.86 4.09 0.00 1.70 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 101 P 0.00 4.58 0.00 1.77 1.93 0.00 3.34 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 102 D 7.77 4.43 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.16 5.71 0.00 3.30 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.21 3.96 0.00 3.28 3.44 0.00 5.84 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 0.00 105 L 8.12 4.20 0.00 1.82 1.70 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.82 4.55 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 9.17 3.61 0.00 1.68 1.65 0.00 1.85 0.00 0.00 1.25 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.32 7.81 108 E 8.72 3.64 0.00 2.03 1.92 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 2.36 2.33 0.00 109 P 0.00 4.35 0.00 2.07 2.15 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 110 N 9.54 4.39 0.00 2.95 2.82 0.00 0.00 7.02 7.91 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 0.00 111 E 9.10 4.01 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 112 A 8.16 4.14 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 0.00 113 L 7.78 3.31 0.00 1.08 1.64 0.40 0.59 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 0.00 114 I 7.66 3.84 1.92 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 1.52 0.63 0.91 0.00 0.00 115 F 8.27 3.95 0.00 3.57 3.30 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 0.00 116 Y 8.54 4.31 0.00 3.37 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 0.00 117 N 8.75 4.45 0.00 3.05 2.94 0.00 0.00 7.21 6.48 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 0.00 118 K 8.18 4.19 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 I 7.99 4.18 2.15 0.00 0.00 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 1.54 0.62 1.11 0.00 0.00 120 I 7.79 3.87 1.94 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.88 0.00 0.00 121 D 7.97 4.54 0.00 2.72 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 0.00 122 E 8.08 4.17 0.00 2.53 2.30 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 2.49 2.41 0.00 123 F 8.54 4.03 0.00 3.28 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 0.00 124 K 9.19 4.32 0.00 2.03 1.91 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.71 7.81 125 K 9.01 3.92 0.00 1.67 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.38 7.81 126 Q 8.87 4.50 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 127 Y 8.35 5.03 0.00 2.88 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 0.00 128 N 9.39 4.61 0.00 2.28 1.75 0.00 0.00 6.60 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.93 4.42 0.00 2.81 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 0.00 130 D 9.11 4.81 0.00 2.61 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 0.00 131 K 8.21 4.60 0.00 1.69 2.05 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.21 7.81 132 I 7.62 4.59 1.91 0.00 0.00 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 1.63 1.03 0.79 0.00 0.00 133 K 8.23 4.44 0.00 1.70 1.72 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 134 I 8.21 5.02 2.07 0.00 0.00 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 1.35 0.73 0.96 0.00 0.00 135 G 8.40 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 0.00 136 K 9.12 4.21 0.00 1.70 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 0.99 7.81 137 F 6.59 3.03 0.00 2.80 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 0.00 138 G 8.00 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 0.00 0.00 0.00 139 N 7.62 4.92 0.00 2.67 2.76 0.00 0.00 6.73 8.74 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 0.00 140 Y 8.44 3.93 0.00 2.95 2.96 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 0.00 141 M 7.79 4.66 0.00 1.80 1.76 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.45 0.00 142 N 9.66 4.70 0.00 2.82 2.72 0.00 0.00 7.29 7.59 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 0.00 143 I 8.27 4.53 1.89 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 1.28 0.69 0.89 0.00 0.00 144 D 8.71 4.68 0.00 2.68 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 0.00 145 V 8.12 4.48 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 0.84 0.00 0.00 1.01 0.00 0.00 146 T 9.56 4.46 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 N 8.64 4.98 0.00 2.61 2.75 0.00 0.00 6.86 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 0.00 148 D 9.87 4.21 0.00 2.76 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 0.00 149 G 9.26 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 0.00 150 P 0.00 4.49 0.00 2.19 2.09 0.00 3.37 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 151 V 7.97 4.33 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 1.04 0.00 0.00 0.93 0.00 0.00 152 T 8.61 5.20 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 0.00 153 I 9.16 4.59 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 1.11 0.94 0.90 0.00 0.00 154 Y 8.68 5.09 0.00 2.90 2.84 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 0.00 0.00 0.00 0.00 155 I 7.79 4.23 1.79 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 1.11 0.75 1.03 0.00 0.00 156 D 8.07 4.85 0.00 2.46 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 9.11 3.90 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 1.40 0.00 0.00 158 H 7.43 4.17 0.00 3.28 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 9.01 4.53 0.00 2.53 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 * Residues marked with a * may have inaccurate shift predictions.