NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2937 8.2649 123.5789 50.8312 19.9523 176.4561 2 P 4.3359 0.0000 0.0000 61.4619 31.6462 174.9715 3 Q 4.5754 9.1433 118.8014 55.3649 30.3743 174.4910 4 N 4.8369 7.4974 115.8995 51.1336 41.3527 174.7410 5 I 3.6791 8.2523 119.5306 64.3427 37.4206 177.8268 6 T 3.8568 7.8685 116.2727 66.7070 68.2020 176.3898 7 E 4.0220 8.6608 119.5469 59.3351 29.7277 179.1161 8 L 4.0266 8.0818 119.1559 57.8942 41.5474 178.7373 9 C 4.5169 8.4163 118.7760 59.5625 43.3628 175.5384 10 S 4.0015 7.5830 113.4247 60.6688 62.7001 175.7677 11 E 4.0618 7.7549 121.8196 57.9001 29.4289 176.6335 12 Y 4.5464 6.8325 116.0734 57.4900 39.0168 174.4428 13 H 4.9257 8.8042 118.2744 56.1166 30.2793 174.9677 14 N 4.3342 8.8910 117.8712 55.1244 35.8990 173.6626 15 T 5.3232 7.9683 105.8339 60.0649 72.2153 172.8428 16 Q 4.6636 8.9633 119.2867 54.8067 32.6661 173.6637 17 I 4.6636 8.2471 120.4854 60.6145 38.8514 174.7441 18 Y 4.5076 9.0031 127.5524 55.8620 41.2316 174.1514 19 E 4.3718 8.8409 127.1068 55.9595 29.8445 174.8505 20 L 4.3005 9.0376 124.7056 52.6561 43.0017 177.1442 21 N 4.2131 8.4577 117.4929 54.3397 38.1396 174.2578 22 K 4.7836 7.4946 114.0211 54.5558 36.7066 175.9915 23 E 4.8213 8.5783 118.7208 55.4375 30.8436 176.3752 24 I 3.1620 8.0890 121.5278 61.2337 37.7457 176.0889 25 K 4.3248 8.5792 127.6780 58.8400 33.0482 177.3312 26 T 4.5736 7.6069 115.5954 61.7655 72.7235 172.2767 27 Y 4.8115 8.0738 126.8104 55.9171 41.2724 174.6109 28 T 4.4334 8.2954 123.0127 61.5263 72.2674 172.5708 29 E 4.9283 8.5009 125.9244 54.3563 32.5236 174.4574 30 S 4.8204 9.2485 121.0625 56.4252 65.8125 174.0087 31 L 4.4722 10.0529 124.3101 55.4216 41.0722 174.5908 32 A 3.9553 7.1403 125.0169 52.4075 22.3886 177.4271 *36 E 4.3637 7.5414 124.8054 57.0752 30.5970 178.8158 37 M 4.1309 7.6464 117.3431 55.7010 33.2136 173.3502 38 V 4.7285 8.4312 125.1665 61.0962 34.7418 173.9576 39 I 5.1395 8.7371 128.4531 59.3944 40.8553 174.4936 40 I 5.0763 8.9592 119.2222 59.3998 41.0213 174.4903 41 S 5.2382 8.8588 118.7580 57.1818 67.6911 172.9294 42 F 5.1522 8.8960 119.9412 55.2590 42.2609 176.3336 43 A 4.0098 9.1217 123.1002 55.6606 18.0551 178.7330 44 N 4.4969 8.1747 110.0760 53.9662 37.5024 175.9059 45 G 3.8950 8.5069 108.3319 44.7894 0.0000 173.6824 46 A 3.9927 8.1819 122.7919 52.4671 19.2977 176.7922 47 T 4.9697 7.7513 118.5968 61.7108 71.8981 173.5456 48 F 5.2941 9.4224 124.0899 55.7763 43.8464 173.7082 49 Q 5.2028 8.7728 119.1713 54.3235 31.6575 174.9174 50 V 4.2643 8.4118 121.1110 62.5283 32.4086 175.8675 51 E 4.2842 8.8708 126.4264 56.4526 30.3788 176.1941 52 V 4.4419 8.0699 112.7936 58.7566 33.7858 174.3741 53 P 4.3816 0.0000 0.0000 64.2052 31.5958 177.1602 54 G 3.8704 9.3870 111.2326 45.3212 0.0000 173.5776 55 S 4.2613 7.5590 115.1177 57.3156 65.1863 173.4363 56 Q 3.2353 8.6137 116.0779 57.9550 25.1830 173.8152 57 H 4.1256 8.4316 105.5635 56.9490 26.8988 176.3021 58 L 3.7726 8.2586 114.8993 55.4355 38.9532 175.7760 59 E 4.1334 8.4247 120.2579 58.3902 29.7806 176.8223 60 S 4.7119 7.9240 114.1281 56.7778 63.2331 172.7831 61 Q 4.9145 8.2116 125.6230 52.8047 33.8346 176.0454 62 K 3.8546 8.5416 121.8479 60.1064 32.1655 179.1866 63 R 3.9360 7.9031 117.5199 58.8397 30.0779 177.0104 64 P 4.3102 0.0000 0.0000 65.6711 31.2537 178.6405 65 L 4.0460 7.9818 117.6629 57.6926 41.5184 179.3320 66 E 3.9880 8.2508 118.6890 59.4046 29.4077 179.3697 67 R 3.9056 8.0030 118.7168 59.6589 30.1037 178.2420 68 M 4.0738 8.3521 118.1831 58.5728 32.1824 178.2670 69 K 4.0424 8.5390 119.1161 59.5377 32.1397 178.9554 70 D 4.3641 8.2485 119.0704 57.7175 40.6895 179.0038 71 T 3.8735 8.0547 116.0814 66.6835 68.4213 176.7490 72 L 4.0629 8.2018 120.9825 57.7824 41.6442 179.5522 73 R 3.5553 8.3547 118.5448 59.2137 29.9984 178.2697 74 A 3.9414 8.2392 120.5063 55.1365 18.4589 179.2784 75 A 3.9575 8.2948 119.4430 55.5273 18.2358 179.1377 76 Y 3.8806 7.9639 116.5132 61.0741 38.9904 178.2034 77 F 3.8677 8.4065 117.3964 60.0080 39.0772 176.9241 78 T 4.3383 8.0370 107.2102 60.9625 69.1628 175.3560 79 G 3.8128 7.4985 109.2633 46.3279 0.0000 173.9722 80 I 4.0629 7.5376 111.8638 59.8106 38.1866 175.4226 81 K 4.4423 8.3846 121.7680 56.4220 33.5750 176.1061 82 V 4.0650 8.8349 125.6627 62.7187 32.2915 176.1980 83 S 4.2135 9.2635 124.1626 60.7079 62.9435 173.6124 84 K 5.1328 7.7850 117.5108 54.6869 36.8571 174.6045 85 L 5.0286 8.6250 122.1440 53.0949 45.2025 174.6160 86 C 5.0601 8.8705 123.1861 55.3788 43.9385 172.8082 87 V 4.9564 8.6390 119.5413 59.1642 35.3010 174.9825 88 W 4.9890 9.2599 124.9289 56.5911 30.0571 176.4810 89 N 5.0255 9.3158 121.5453 52.6468 37.5465 175.0484 90 N 4.8348 8.2742 116.0922 52.8983 37.8625 174.6187 91 K 4.7363 7.7405 117.4876 55.1816 36.0781 175.1230 92 T 4.6435 8.1836 116.7012 60.9581 71.4225 172.5102 93 P 4.4669 0.0000 0.0000 62.4841 32.4163 176.0008 94 N 5.0085 9.1377 118.8086 53.4735 39.8326 174.1673 95 S 5.9544 8.5759 116.2178 56.2311 66.2368 173.0736 96 I 4.3334 8.4525 122.3695 60.9602 37.0387 175.4114 97 A 4.0086 8.5966 129.8197 53.5404 19.6690 177.0681 98 A 4.6639 7.3324 114.3947 50.8217 22.9298 175.4031 99 I 4.7709 8.2533 119.7933 59.3350 40.8082 174.5283 100 E 4.6577 9.2594 127.5595 54.3123 32.2292 174.2381 101 L 4.9656 8.4406 126.5763 53.0000 43.9620 176.5202 102 S 4.1152 8.1022 114.5062 58.8350 62.6264 173.7050 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 A 8.26 4.29 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 2 P 0.00 4.34 0.00 2.09 1.93 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 3 Q 9.14 4.58 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.24 0.00 4 N 7.50 4.84 0.00 2.96 2.92 0.00 0.00 5.82 7.79 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 5 I 8.25 3.68 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 1.61 1.31 0.96 0.00 0.00 6 T 7.87 3.86 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 1.20 0.00 0.00 7 E 8.66 4.02 0.00 2.00 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 2.33 2.46 0.00 8 L 8.08 4.03 0.00 1.86 1.72 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.42 4.52 0.00 3.21 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 10 S 7.58 4.00 0.00 4.10 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 11 E 7.75 4.06 0.00 1.81 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 0.00 2.24 2.23 0.00 12 Y 6.83 4.55 0.00 2.80 2.92 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 13 H 8.80 4.93 0.00 3.32 3.33 0.00 5.87 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 14 N 8.89 4.33 0.00 3.21 3.06 0.00 0.00 6.58 7.05 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 15 T 7.97 5.32 4.09 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 0.51 0.00 0.00 16 Q 8.96 4.66 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 17 I 8.25 4.66 1.85 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 1.21 0.83 0.90 0.00 0.00 18 Y 9.00 4.51 0.00 2.99 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 19 E 8.84 4.37 0.00 1.87 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 0.00 2.26 2.29 0.00 20 L 9.04 4.30 0.00 1.52 1.24 0.26 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.46 4.21 0.00 2.84 2.86 0.00 0.00 7.15 6.14 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 22 K 7.49 4.78 0.00 1.99 1.83 0.00 1.72 0.00 0.00 2.00 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.56 7.81 23 E 8.58 4.82 0.00 2.07 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 2.35 0.00 24 I 8.09 3.16 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.54 0.89 0.00 0.00 25 K 8.58 4.32 0.00 1.79 1.98 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.45 7.81 26 T 7.61 4.57 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 27 Y 8.07 4.81 0.00 2.27 1.83 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 28 T 8.30 4.43 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 1.08 0.00 0.00 29 E 8.50 4.93 0.00 1.64 1.73 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 2.17 2.27 0.00 30 S 9.25 4.82 0.00 3.81 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 10.05 4.47 0.00 1.74 1.72 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.14 3.96 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 0.00 0.00 0.00 0.00 0.00 *36 E 7.54 4.36 0.00 1.96 1.12 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 0.00 2.17 2.24 0.00 37 M 7.65 4.13 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 38 V 8.43 4.73 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 1.01 0.00 0.00 0.95 0.00 0.00 39 I 8.74 5.14 1.74 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 1.24 0.61 0.92 0.00 0.00 40 I 8.96 5.08 1.78 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 1.01 0.00 0.00 41 S 8.86 5.24 0.00 3.65 3.69 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 42 F 8.90 5.15 0.00 3.16 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 43 A 9.12 4.01 1.36 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 44 N 8.17 4.50 0.00 2.91 3.02 0.00 0.00 6.25 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 45 G 8.51 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 0.00 0.00 0.00 46 A 8.18 3.99 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.75 4.97 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 1.13 0.00 0.00 48 F 9.42 5.29 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 49 Q 8.77 5.20 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.57 2.33 0.00 50 V 8.41 4.26 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 0.81 0.00 0.00 1.03 0.00 0.00 51 E 8.87 4.28 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.04 0.00 52 V 8.07 4.44 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 0.92 0.00 0.00 0.87 0.00 0.00 53 P 0.00 4.38 0.00 2.03 2.07 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 54 G 9.39 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 55 S 7.56 4.26 0.00 3.73 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 56 Q 8.61 3.24 0.00 1.64 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.40 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.00 57 H 8.43 4.13 0.00 3.35 3.40 0.00 5.81 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.26 3.77 0.00 1.84 1.83 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.42 4.13 0.00 2.33 2.47 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 2.66 2.81 0.00 60 S 7.92 4.71 0.00 3.73 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 61 Q 8.21 4.91 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 62 K 8.54 3.85 0.00 1.87 1.82 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.62 7.81 63 R 7.90 3.94 0.00 1.91 1.97 0.00 3.20 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 1.73 1.73 0.00 64 P 0.00 4.31 0.00 2.21 2.16 0.00 3.69 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 2.16 2.22 0.00 65 L 7.98 4.05 0.00 1.98 1.75 1.01 0.99 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 66 E 8.25 3.99 0.00 2.19 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 2.54 2.48 0.00 67 R 8.00 3.91 0.00 1.92 2.13 0.00 3.11 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 68 M 8.35 4.07 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 69 K 8.54 4.04 0.00 2.02 1.94 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.80 7.81 70 D 8.25 4.36 0.00 2.94 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 71 T 8.05 3.87 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 1.24 0.00 0.00 72 L 8.20 4.06 0.00 1.83 1.88 1.01 0.85 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 73 R 8.35 3.56 0.00 1.83 2.00 0.00 2.91 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.30 0.00 74 A 8.24 3.94 1.35 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 0.00 0.00 75 A 8.29 3.96 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 76 Y 7.96 3.88 0.00 2.98 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 77 F 8.41 3.87 0.00 2.92 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 78 T 8.04 4.34 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 1.24 0.00 0.00 79 G 7.50 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 80 I 7.54 4.06 1.88 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 1.43 0.66 0.91 0.00 0.00 81 K 8.38 4.44 0.00 1.77 1.81 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.46 7.81 82 V 8.83 4.06 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 0.89 0.00 0.00 1.14 0.00 0.00 83 S 9.26 4.21 0.00 3.95 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 84 K 7.79 5.13 0.00 1.65 1.58 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.57 7.81 85 L 8.63 5.03 0.00 1.17 1.20 -0.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.87 5.06 0.00 2.88 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 87 V 8.64 4.96 2.31 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 0.51 0.00 0.00 1.21 0.00 0.00 88 W 9.26 4.99 0.00 3.35 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 89 N 9.32 5.03 0.00 2.78 3.13 0.00 0.00 6.99 8.89 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 90 N 8.27 4.83 0.00 2.85 3.01 0.00 0.00 5.90 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 91 K 7.74 4.74 0.00 1.90 1.70 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.48 7.81 92 T 8.18 4.64 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 93 P 0.00 4.47 0.00 1.94 2.06 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 94 N 9.14 5.01 0.00 2.98 3.08 0.00 0.00 7.24 7.47 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 95 S 8.58 5.95 0.00 4.06 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 96 I 8.45 4.33 1.92 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 1.16 0.80 0.87 0.00 0.00 97 A 8.60 4.01 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.33 4.66 1.18 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 0.00 0.00 99 I 8.25 4.77 1.87 0.00 0.00 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 1.21 0.70 0.92 0.00 0.00 100 E 9.26 4.66 0.00 1.97 1.74 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 0.00 2.18 2.24 0.00 101 L 8.44 4.97 0.00 1.55 1.57 0.94 0.92 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 0.00 102 S 8.10 4.12 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.