NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3224 8.2493 123.5819 51.7664 20.5600 175.7234 3 T 4.6026 7.4145 104.6798 57.4449 72.2597 171.4982 4 N 4.7134 9.0114 120.0238 51.6519 40.1491 176.4801 5 L 3.9005 8.5688 119.2011 58.3592 41.9876 178.0057 6 I 4.0314 7.8044 108.6034 60.9289 37.9466 176.1240 7 G 3.8805 8.4713 109.3934 45.7080 0.0000 173.3892 8 L 4.6169 7.9040 119.4205 52.3383 44.0226 175.4984 9 D 4.6641 8.3366 119.4240 54.6633 42.3736 177.0554 10 T 3.8583 8.4768 123.8312 67.1590 68.7007 176.8901 11 T 3.8655 7.9046 117.0611 66.8201 68.5005 176.5948 12 Q 4.0205 8.8473 120.3269 59.0999 28.7146 179.0423 13 S 4.1421 8.2627 116.2392 61.6633 62.8311 176.7705 14 Q 4.0921 8.4632 121.2044 58.5931 28.5128 178.7505 15 K 3.9420 8.1050 120.7761 59.5326 32.2269 178.8987 16 L 4.0010 8.1152 119.1280 57.7964 41.4548 179.4073 17 A 3.9891 8.5155 121.1585 55.0128 18.3000 179.1409 18 N 4.2187 8.3938 115.4304 56.8920 39.0352 177.0120 19 A 4.0538 7.9201 121.6745 55.1862 18.4394 179.6483 20 L 4.0189 8.3485 117.8965 57.8849 41.2167 179.5076 21 N 4.4418 8.4847 116.7625 56.4513 38.6221 177.1814 22 N 4.4185 8.3338 117.9126 56.0613 38.4930 177.1787 23 L 4.1026 8.1068 121.8417 58.2180 42.2482 178.5934 24 L 3.9446 8.4634 120.4509 58.3257 41.9033 178.8597 25 A 3.9054 8.1659 120.4859 55.1817 18.2993 179.4049 26 N 4.2204 8.1215 114.6519 56.7098 38.6241 177.1410 27 Y 3.9338 8.3549 118.4059 61.2489 37.7155 179.0170 28 Q 3.8861 7.8736 117.8602 58.8937 28.8155 178.5830 29 V 3.6768 7.4835 118.1682 65.8388 31.8473 177.5280 30 F 4.4353 8.3798 120.5921 61.2764 39.0603 177.0237 31 Y 3.8617 8.2282 116.4053 58.5444 38.4505 177.3327 *33 N 4.1582 8.1225 117.5189 52.9205 40.8022 176.9948 34 T 2.8485 6.8598 114.5665 65.8463 68.2178 177.1177 35 R 2.9084 7.1385 120.5771 58.7118 29.7797 179.2266 36 G 3.4902 7.1030 104.7322 47.9089 0.0000 175.0040 37 Y 4.0652 7.2268 119.3457 60.9488 37.4738 178.2938 38 H 4.3885 7.7188 117.7661 59.3019 30.0795 177.0785 39 W 4.6237 7.9904 119.5070 59.4201 29.1238 177.4721 40 N 4.8371 8.5154 114.3127 52.1298 38.7185 174.9802 41 I 4.0229 7.1397 121.2340 61.5229 38.6010 174.7486 42 Q 4.5905 8.7922 124.8332 54.6356 32.7854 174.8977 43 G 3.9232 8.5274 104.9975 44.5210 0.0000 174.3302 44 K 4.1690 8.2840 116.5818 58.5812 32.1731 178.0165 45 E 4.3629 8.2008 117.6451 56.5659 29.9163 177.6935 46 F 3.9387 8.5240 123.0243 61.8370 39.2792 177.2575 47 F 4.1201 7.8824 116.2860 60.4016 38.8142 177.3088 48 E 3.8871 8.1507 118.4627 59.3871 29.5951 178.6908 49 L 3.3418 8.0189 119.2304 57.3441 41.4700 178.7258 50 H 4.0247 8.1463 118.6000 59.1398 29.6493 177.2391 51 A 3.8576 7.7662 122.3299 54.9684 18.2884 179.5590 52 K 3.6961 7.8806 118.3155 59.5717 32.1166 179.0811 53 F 4.4347 8.0488 118.5465 60.4044 38.6844 177.2845 54 E 2.0000 7.6731 118.8937 58.5352 29.4143 178.2836 55 E 3.7214 7.8669 119.2961 59.3981 29.6087 179.0353 56 I 3.7408 7.6207 119.8062 64.5784 37.2543 178.1036 57 Y 4.2448 8.0234 118.8455 60.0525 37.7612 178.2086 58 T 4.0309 7.8540 118.0582 66.7759 68.6864 176.2414 59 D 4.3974 8.0609 120.6106 57.3647 40.7552 178.7487 60 L 4.2037 8.2464 119.5458 57.9755 41.6328 179.3832 61 Q 3.7516 8.4485 119.4594 59.0485 28.9602 178.2682 62 L 3.9726 7.7852 119.5850 57.8348 41.6343 179.7376 63 K 4.0982 7.7885 119.3768 58.7457 31.8070 179.3396 64 I 3.4463 7.7955 120.4285 64.4578 37.0222 178.1136 65 D 4.3075 7.9320 119.4049 57.5703 40.6447 178.8203 66 E 4.0215 8.1435 118.9785 59.2299 29.3700 179.4904 67 L 3.9433 8.3845 119.2874 57.8067 41.7603 179.3353 68 A 4.0101 8.1299 120.7583 55.3671 18.2969 179.5858 69 E 3.9773 8.2776 117.0466 59.2831 29.4873 179.5292 70 R 3.8968 8.1689 119.1887 59.2444 30.1299 178.5614 71 I 3.6813 7.9452 119.7643 64.5031 37.1780 178.3439 72 L 4.2752 7.8983 120.9824 57.6763 41.1954 179.8269 73 T 3.9841 7.7988 114.7461 66.0997 68.3620 175.7250 74 L 4.3667 7.5103 118.7169 53.9502 41.8866 176.6582 75 S 3.7023 8.1066 113.4532 59.9313 60.3309 170.9384 76 A 4.7237 7.8961 121.1976 50.2048 22.0287 175.6550 77 R 4.7611 8.2724 119.6138 54.2028 31.7147 174.2868 78 P 5.3637 0.0000 0.0000 62.1773 30.3926 177.2247 *80 H 4.7319 8.8559 106.9138 54.7315 29.7255 173.6337 81 S 4.3835 6.7678 113.0087 56.6346 67.1967 173.1812 82 F 4.5933 8.5986 123.2805 61.2558 38.6461 178.2312 83 S 4.2682 8.1641 113.3184 61.2875 62.9263 176.6122 84 G 3.4788 7.8981 109.3092 47.7610 0.0000 175.2207 85 Y 4.4828 7.7352 119.5741 60.9722 37.6831 178.9144 86 L 4.0886 8.1609 118.9294 57.6655 41.7455 179.4144 87 K 4.1262 7.8646 117.4125 59.0597 32.0542 178.5956 88 A 4.3174 7.7214 118.9408 52.8020 19.5091 177.8372 89 A 4.2444 7.5666 119.9484 52.3534 19.1555 177.1815 90 Q 4.1992 9.1525 122.7953 57.9993 29.7676 177.0725 91 I 3.7291 7.8112 118.2470 61.2528 37.5629 175.8335 92 K 4.3454 8.3051 124.3608 55.1955 33.1106 176.6248 93 E 4.0542 8.5957 121.2656 56.8602 29.7883 176.1824 94 H 4.8582 9.4641 124.0965 54.6434 30.1606 172.7671 95 T 4.6081 8.2337 116.5307 60.5188 71.3059 173.2327 96 D 4.2567 8.4712 118.7314 55.4270 38.3449 174.3201 97 S 4.4729 7.4595 111.8447 57.4077 62.4594 173.2917 98 I 4.6909 8.2656 119.6622 59.5142 38.8883 174.1622 99 D 5.2428 7.8035 121.7172 52.1610 43.1635 176.2745 100 G 3.9495 9.2013 116.1371 49.0133 0.0000 174.5600 101 R 4.2789 8.3580 119.0591 59.0100 30.6963 177.4226 102 S 4.2416 8.5251 112.5971 61.6571 62.6112 176.5526 103 S 3.1662 7.7506 114.0242 58.7391 61.9463 175.8244 *105 Q 4.2689 8.2699 124.1192 56.1443 30.7741 177.2733 106 G 3.8619 8.0799 105.8462 47.2414 0.0000 175.5255 107 L 4.3688 8.0644 121.6683 57.5781 41.7131 179.7131 108 V 3.7829 7.9700 117.5977 66.3932 31.3556 177.6886 109 D 4.4854 8.5747 118.8931 57.1702 40.6367 179.0729 110 G 2.9207 8.2664 106.3379 47.6364 0.0000 175.8989 111 F 4.1028 8.2999 121.0520 59.8144 38.8495 177.7414 112 S 4.1578 8.0551 114.1828 61.6993 62.5956 176.8772 113 I 3.6245 7.3181 123.6151 63.7521 36.8132 178.2639 114 L 3.8921 7.6323 119.7129 57.8383 41.3897 179.5757 115 L 4.0401 8.4343 118.9965 58.1210 41.6646 178.9208 116 H 4.0652 8.2849 117.9714 59.6510 29.7882 177.2749 117 Q 4.0707 8.3089 119.6249 59.0737 28.4516 178.7406 118 Q 4.1040 8.6168 119.5678 59.0305 28.7768 179.0400 119 R 3.9301 8.3105 119.3043 59.3086 30.1115 178.8170 120 D 4.3659 8.0405 118.5796 57.4445 40.8140 178.9880 121 I 3.7320 7.8622 120.2901 64.1780 37.0341 178.0849 122 L 3.9339 8.1702 121.4948 58.1820 41.8646 178.7301 123 E 3.8845 8.2589 119.0709 59.1956 29.4959 178.5482 124 L 4.2324 8.2617 121.4758 57.6358 42.1380 178.7408 125 A 4.0950 8.5751 121.3398 55.0979 17.8229 179.8436 126 G 3.5428 8.3722 104.4452 48.0272 0.0000 175.7628 127 E 4.0485 8.3830 121.2332 58.5207 29.2673 178.4807 128 T 4.5279 7.4433 106.9640 60.6937 69.5072 175.1380 129 G 3.8201 7.6306 109.0165 47.0734 0.0000 175.0396 130 D 4.5823 7.9555 121.4663 52.7357 39.3416 175.8846 131 E 4.0519 8.3327 125.4539 58.5320 29.9227 178.0126 132 G 3.6047 8.0152 105.4479 48.1130 0.0000 175.7220 133 T 3.8652 7.9945 117.1635 66.2334 68.5507 176.6343 134 S 4.2364 7.8232 115.8985 61.8047 63.2342 176.4617 135 A 4.1544 8.3098 123.5328 54.8523 18.0514 179.8414 136 L 3.5340 7.3568 115.3914 55.8321 41.8177 178.5968 *138 S 4.3592 7.9812 113.0419 58.0157 64.3120 175.4029 139 D 4.4462 8.1082 119.8982 57.7223 40.0984 178.5296 140 Y 4.3837 8.1035 117.0445 61.2065 37.8129 178.6528 141 I 3.8652 7.9240 120.4395 64.4814 37.2174 178.5230 142 R 3.9686 8.1965 116.9126 59.3913 29.1737 178.7697 143 E 4.0044 8.2893 119.2386 59.3495 29.4273 179.2896 144 Q 3.8351 8.3226 117.9544 58.3741 28.7918 178.2539 145 E 3.9684 8.5177 120.3232 59.2850 29.3085 179.1818 146 K 4.1053 7.5721 118.2881 59.6352 32.3836 178.1258 147 L 3.9453 7.5937 119.1034 58.1747 42.2443 178.7517 148 V 3.7534 8.0045 118.4928 65.4968 31.3103 177.9567 149 W 4.2511 8.0253 124.0808 58.5331 30.3556 177.1742 *151 L 4.1899 7.8051 118.7666 54.5822 42.9728 178.9958 152 N 4.4680 8.2024 114.3681 56.0777 38.7442 177.0954 153 A 4.1613 8.1364 122.5661 54.8600 18.2382 179.3889 154 W 4.0215 8.0930 125.3757 60.5665 30.9249 177.4846 155 L 4.3743 7.8319 116.1215 56.0823 41.3060 177.1658 156 K 4.1688 7.6499 123.1467 56.6330 31.9576 176.6424 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 A 8.25 4.32 1.30 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 0.00 0.00 3 T 7.41 4.60 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 4 N 9.01 4.71 0.00 2.93 3.03 0.00 0.00 7.04 6.55 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 5 L 8.57 3.90 0.00 1.60 1.74 0.92 0.97 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 6 I 7.80 4.03 1.86 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 1.39 0.80 0.94 0.00 0.00 7 G 8.47 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 0.00 0.00 0.00 8 L 7.90 4.62 0.00 1.72 1.57 0.94 0.82 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 9 D 8.34 4.66 0.00 2.78 2.66 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 10 T 8.48 3.86 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 11 T 7.90 3.87 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 1.21 0.00 0.00 12 Q 8.85 4.02 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 13 S 8.26 4.14 0.00 4.03 3.91 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 14 Q 8.46 4.09 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 15 K 8.11 3.94 0.00 1.94 1.97 0.00 1.64 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 1.44 1.49 7.81 16 L 8.12 4.00 0.00 1.73 1.70 0.95 0.78 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 17 A 8.52 3.99 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 18 N 8.39 4.22 0.00 2.95 3.00 0.00 0.00 7.08 7.54 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 19 A 7.92 4.05 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 20 L 8.35 4.02 0.00 1.86 1.76 0.92 0.77 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 21 N 8.48 4.44 0.00 3.03 2.93 0.00 0.00 6.98 7.06 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 22 N 8.33 4.42 0.00 2.93 2.91 0.00 0.00 6.68 6.11 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 23 L 8.11 4.10 0.00 1.95 1.98 1.15 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.46 3.94 0.00 1.86 1.95 0.84 1.04 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 25 A 8.17 3.91 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.12 4.22 0.00 2.93 2.71 0.00 0.00 7.04 6.95 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 27 Y 8.35 3.93 0.00 3.14 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 28 Q 7.87 3.89 0.00 1.51 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.05 1.16 0.00 29 V 7.48 3.68 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 0.76 0.00 0.00 0.95 0.00 0.00 30 F 8.38 4.44 0.00 2.88 3.02 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 31 Y 8.23 3.86 0.00 3.06 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 *33 N 8.12 4.16 0.00 2.56 2.18 0.00 0.00 7.05 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 34 T 6.86 2.85 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 1.07 0.00 0.00 35 R 7.14 2.91 0.00 0.72 0.66 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 36 G 7.10 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.23 4.07 0.00 2.01 1.43 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 38 H 7.72 4.39 0.00 3.16 3.40 0.00 5.95 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 39 W 7.99 4.62 0.00 3.45 3.09 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 40 N 8.52 4.84 0.00 3.05 2.91 0.00 0.00 6.66 7.34 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 41 I 7.14 4.02 2.25 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 1.36 0.75 0.97 0.00 0.00 42 Q 8.79 4.59 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.11 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 43 G 8.53 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 0.00 0.00 0.00 44 K 8.28 4.17 0.00 1.80 1.94 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.49 7.81 45 E 8.20 4.36 0.00 2.18 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 2.76 2.53 0.00 46 F 8.52 3.94 0.00 3.06 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 47 F 7.88 4.12 0.00 3.19 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 48 E 8.15 3.89 0.00 2.08 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 2.29 2.37 0.00 49 L 8.02 3.34 0.00 1.51 0.74 0.67 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.15 4.02 0.00 2.37 2.86 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.77 3.86 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 52 K 7.88 3.70 0.00 1.66 1.25 0.00 1.35 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.03 1.17 7.81 53 F 8.05 4.43 0.00 3.04 2.86 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 0.00 0.00 0.00 54 E 7.67 2.00 0.00 1.44 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 0.00 1.90 1.67 0.00 55 E 7.87 3.72 0.00 1.94 1.99 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 2.23 2.28 0.00 56 I 7.62 3.74 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.68 1.03 0.00 0.00 57 Y 8.02 4.24 0.00 2.68 2.86 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 0.00 0.00 0.00 58 T 7.85 4.03 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 1.22 0.00 0.00 59 D 8.06 4.40 0.00 2.93 2.76 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 60 L 8.25 4.20 0.00 2.14 1.99 0.71 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.45 3.75 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 62 L 7.79 3.97 0.00 1.91 1.70 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.79 4.10 0.00 1.68 0.98 0.00 1.61 0.00 0.00 1.00 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.72 1.23 7.81 64 I 7.80 3.45 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.79 0.00 0.00 65 D 7.93 4.31 0.00 2.86 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 66 E 8.14 4.02 0.00 2.30 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 2.37 2.51 0.00 67 L 8.38 3.94 0.00 1.78 1.68 0.60 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.13 4.01 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 69 E 8.28 3.98 0.00 2.12 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 2.46 0.00 70 R 8.17 3.90 0.00 1.98 2.03 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 1.58 1.69 0.00 71 I 7.95 3.68 2.04 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 1.54 0.70 0.99 0.00 0.00 72 L 7.90 4.28 0.00 1.88 1.71 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.80 3.98 4.40 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 1.20 0.00 0.00 74 L 7.51 4.37 0.00 1.80 1.68 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.11 3.70 0.00 4.04 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 0.00 76 A 7.90 4.72 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 77 R 8.27 4.76 0.00 1.79 1.87 0.00 3.26 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 78 P 0.00 5.36 0.00 2.28 1.60 0.00 3.45 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 *80 H 8.86 4.73 0.00 3.29 3.47 0.00 5.09 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 6.77 4.38 0.00 3.82 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 82 F 8.60 4.59 0.00 3.03 3.02 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 83 S 8.16 4.27 0.00 4.05 4.15 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 84 G 7.90 3.48 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 0.00 85 Y 7.74 4.48 0.00 3.22 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 86 L 8.16 4.09 0.00 1.66 1.77 0.95 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 87 K 7.86 4.13 0.00 1.88 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.47 7.81 88 A 7.72 4.32 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 89 A 7.57 4.24 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 90 Q 9.15 4.20 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 91 I 7.81 3.73 1.78 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.88 0.00 0.00 92 K 8.31 4.35 0.00 1.73 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.43 7.81 93 E 8.60 4.05 0.00 1.94 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 2.28 0.00 94 H 9.46 4.86 0.00 3.04 3.16 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.23 4.61 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 1.20 0.00 0.00 96 D 8.47 4.26 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.46 4.47 0.00 3.56 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 98 I 8.27 4.69 1.96 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 1.31 1.56 0.99 0.00 0.00 99 D 7.80 5.24 0.00 2.78 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 0.00 100 G 9.20 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 0.00 101 R 8.36 4.28 0.00 1.97 2.25 0.00 3.30 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 102 S 8.53 4.24 0.00 3.92 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 0.00 103 S 7.75 3.17 0.00 3.65 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 *105 Q 8.27 4.27 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 106 G 8.08 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.06 4.37 0.00 1.88 2.09 1.16 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.97 3.78 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 1.14 0.00 0.00 1.02 0.00 0.00 109 D 8.57 4.49 0.00 2.74 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 0.00 110 G 8.27 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 0.00 0.00 0.00 111 F 8.30 4.10 0.00 3.18 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 0.00 112 S 8.06 4.16 0.00 4.09 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 0.00 113 I 7.32 3.62 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.79 0.00 0.00 114 L 7.63 3.89 0.00 1.76 1.63 0.07 -0.07 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 0.00 115 L 8.43 4.04 0.00 1.88 1.78 0.98 1.06 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 0.00 116 H 8.28 4.07 0.00 3.34 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.31 4.07 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 118 Q 8.62 4.10 0.00 2.24 2.26 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 2.59 2.63 0.00 119 R 8.31 3.93 0.00 1.97 1.96 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 120 D 8.04 4.37 0.00 2.90 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 0.00 121 I 7.86 3.73 2.01 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 1.43 0.67 0.91 0.00 0.00 122 L 8.17 3.93 0.00 1.81 1.91 0.94 1.17 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 0.00 123 E 8.26 3.88 0.00 2.16 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 0.00 2.30 2.31 0.00 124 L 8.26 4.23 0.00 1.81 1.79 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.58 4.09 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 0.00 126 G 8.37 3.54 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 0.00 127 E 8.38 4.05 0.00 2.23 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 2.48 0.00 128 T 7.44 4.53 4.44 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 1.23 0.00 0.00 129 G 7.63 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 0.00 130 D 7.96 4.58 0.00 2.72 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 0.00 131 E 8.33 4.05 0.00 2.10 1.91 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 2.36 2.42 0.00 132 G 8.02 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 0.00 133 T 7.99 3.87 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 1.18 0.00 0.00 134 S 7.82 4.24 0.00 3.92 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 0.00 135 A 8.31 4.15 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 0.00 136 L 7.36 3.53 0.00 1.66 1.53 0.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 *138 S 7.98 4.36 0.00 3.98 4.05 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 0.00 139 D 8.11 4.45 0.00 2.95 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 0.00 140 Y 8.10 4.38 0.00 3.05 3.09 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 0.00 141 I 7.92 3.87 1.93 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 1.77 0.82 0.98 0.00 0.00 142 R 8.20 3.97 0.00 2.07 2.22 0.00 2.80 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 143 E 8.29 4.00 0.00 2.26 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 2.38 2.54 0.00 144 Q 8.32 3.84 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 145 E 8.52 3.97 0.00 2.02 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 2.37 2.53 0.00 146 K 7.57 4.11 0.00 1.80 2.11 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.72 1.81 7.81 147 L 7.59 3.95 0.00 1.47 1.42 0.79 0.67 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 0.00 148 V 8.00 3.75 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 1.04 0.00 0.00 0.98 0.00 0.00 149 W 8.03 4.25 0.00 3.46 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 *151 L 7.81 4.19 0.00 1.79 1.76 1.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.20 4.47 0.00 3.02 2.96 0.00 0.00 7.06 6.71 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 0.00 153 A 8.14 4.16 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 0.00 154 W 8.09 4.02 0.00 3.16 3.32 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 0.00 155 L 7.83 4.37 0.00 1.96 1.82 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.65 4.17 0.00 1.85 1.72 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.84 1.56 7.81 * Residues marked with a * may have inaccurate shift predictions.