NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.8911 8.3549 109.7377 45.4540 0.0000 173.3590 13 E 4.7059 8.4736 123.6556 54.4051 32.1558 173.3410 14 L 4.5531 9.3967 122.4940 54.2284 46.5633 173.4307 15 I 5.0711 8.3672 126.3049 60.1177 38.9193 174.4671 16 H 5.0359 9.4721 121.8806 54.5703 32.7861 171.5906 17 M 5.0703 8.5559 117.5131 53.6023 34.2489 176.0689 18 V 4.4058 8.8192 122.3828 61.5037 35.0776 173.9320 19 T 4.9512 8.6457 124.2178 61.8544 70.5133 173.6897 20 L 4.8833 8.7358 126.1189 52.8914 44.9717 174.9745 21 D 5.4769 8.8112 122.2063 52.2480 43.5645 174.9785 22 K 4.3109 9.0469 125.4928 56.7803 32.7945 176.3469 23 T 3.9359 8.4438 117.3504 66.0489 68.4334 174.6074 24 G 3.9628 9.1348 114.2478 45.2388 0.0000 172.8018 25 K 4.6992 7.9610 118.0577 53.9515 35.5654 176.7870 26 K 4.0463 8.6066 120.8938 59.4634 32.1810 176.7936 27 S 4.3585 7.1728 110.5087 57.4044 65.4488 174.5856 28 F 4.1719 8.5146 118.3582 58.9182 38.9105 177.3731 29 G 4.4162 8.6142 107.5619 46.4932 0.0000 172.1078 30 I 5.0247 7.6923 111.5045 58.8474 40.2933 174.2946 31 C 5.0715 9.0212 122.5961 57.9316 31.0055 173.0785 32 I 5.1855 8.3510 115.5523 59.5412 40.7058 174.6942 33 V 4.6370 8.5157 114.2759 60.0450 36.4645 174.3023 34 R 4.6896 8.8519 122.2791 56.5069 31.1377 176.0781 35 G 4.2230 9.5922 109.7395 45.6170 0.0000 170.8510 36 E 5.4878 8.1445 115.9682 55.1179 32.5413 175.1456 37 V 4.5843 8.8196 114.2981 59.4035 36.4833 175.2657 38 K 4.5572 8.5982 122.8382 55.4382 32.3068 176.6863 39 D 4.7045 8.3155 125.8334 53.4571 40.4974 175.9481 40 S 4.5849 7.7553 119.9547 58.0183 66.0249 173.1446 41 P 4.6708 0.0000 0.0000 64.5692 32.4308 175.9605 42 N 5.0192 8.0695 113.7276 52.2899 39.0452 173.8448 43 T 4.7827 7.5660 107.2566 60.1593 72.0135 172.2585 44 K 4.9566 8.3111 119.9873 55.0539 36.4511 175.8230 45 T 4.8378 9.0455 118.9802 62.0615 71.8569 173.4685 46 T 5.0892 8.4161 115.1216 60.2433 71.8960 173.7610 47 G 3.9997 8.3164 107.8491 47.5767 0.0000 171.1432 48 I 4.9519 7.4331 120.3240 60.0535 38.8267 175.4021 49 F 5.2744 9.3706 125.8308 55.4307 42.9464 174.6652 50 I 4.4201 8.8357 123.3909 61.3885 37.2663 176.4742 51 K 4.3251 9.3349 129.2430 57.3794 33.5519 176.2941 52 G 4.3449 7.7305 104.9064 45.1687 0.0000 172.0442 53 I 5.1785 8.0685 121.1863 59.0716 40.9616 175.3723 54 V 3.9338 8.8539 128.1861 61.5241 32.4849 173.7712 55 P 4.2039 0.0000 0.0000 64.2948 31.4700 175.5338 56 D 4.4795 9.1673 119.3404 55.2362 39.8603 173.9386 57 S 4.6479 7.6898 113.3015 56.4861 65.8050 173.0711 58 P 4.2723 0.0000 0.0000 65.7877 30.7681 178.7416 59 A 4.0335 8.0476 118.4792 55.3542 18.1402 179.0147 60 H 4.3820 8.1516 116.1366 59.6165 29.9755 177.4696 61 L 3.9586 8.1688 119.6732 57.5240 41.7360 178.5995 62 C 4.1740 8.3047 119.4580 61.8637 31.3206 175.8629 63 G 4.0735 7.7897 104.9459 45.8391 0.0000 173.9338 64 R 4.5663 7.5135 115.7996 55.5409 30.5339 175.5187 65 L 4.9499 7.7839 117.8556 52.7791 44.5314 175.9533 66 K 4.7059 9.5968 122.3578 53.9540 35.4231 175.9875 67 V 3.9161 8.2259 121.7929 64.4453 31.8677 176.2610 68 G 4.1665 9.0951 116.0013 45.2881 0.0000 173.7122 69 D 4.8515 8.2648 120.1590 54.3747 42.2072 175.5219 70 R 4.5150 8.6072 118.0313 54.5353 32.1805 175.0656 71 I 4.4348 8.1074 123.2079 60.3919 37.6953 175.6147 72 L 4.3467 9.0458 128.8097 56.9499 43.0172 177.0784 73 S 5.0203 7.6300 110.9320 56.8931 67.0681 173.2068 74 L 4.7670 8.6348 122.1852 54.2647 44.0933 176.2370 75 N 4.1030 9.9678 125.9207 54.4465 36.5755 175.6247 76 G 3.8467 8.3510 103.8031 45.2613 0.0000 173.4060 77 K 4.3424 7.7703 122.1464 53.9938 33.3428 174.9267 78 D 4.7068 8.7042 126.3700 54.8884 41.6051 175.8219 79 V 4.7814 8.4729 118.1434 60.1891 32.7596 177.6345 80 R 3.8581 8.5475 122.7318 58.9885 29.9348 178.0014 81 N 5.0225 7.8850 111.4471 52.9361 39.5212 174.8402 82 S 4.3910 7.7244 115.7580 58.2637 63.6662 174.1330 83 T 4.5636 8.0775 113.0543 61.1168 71.0423 175.7228 84 E 3.9571 8.5673 121.1625 59.7279 29.5124 179.3428 85 Q 3.9688 8.1420 118.8234 59.1795 29.0776 178.0704 86 A 4.0072 7.9593 121.6201 55.1244 18.3637 179.8501 87 V 3.5296 7.6020 116.9334 66.0705 31.5660 178.3499 88 I 3.7172 7.8780 119.6092 64.4864 36.9950 178.1001 89 D 4.3660 8.5000 120.0923 57.3528 40.4262 178.7931 90 L 3.9781 7.6596 118.3105 57.9363 41.9288 179.4009 91 I 3.7958 7.8937 119.6432 64.3819 36.8586 178.7244 92 K 4.2047 8.1365 117.9179 58.9586 31.9354 178.6344 93 E 4.2221 7.9043 117.1371 56.8709 29.7864 176.8538 94 A 4.4367 7.1973 124.2924 51.9753 21.0285 179.6629 95 D 4.7905 8.8823 123.5571 54.2566 38.2479 178.6214 96 F 5.0454 9.6363 118.8792 57.5851 39.9848 175.7997 97 K 5.9310 7.8014 117.9487 53.5874 35.9052 175.5448 98 I 4.6187 7.9480 115.1019 59.1652 41.2508 173.1750 99 E 4.8460 9.4396 127.0764 54.5104 31.6205 174.1930 100 L 5.0346 9.0293 127.4501 52.8917 44.7608 175.0592 101 E 4.7121 8.7105 125.1760 55.1700 30.9985 174.6278 102 I 4.8882 8.8641 128.4400 59.4296 40.6534 174.4014 103 Q 5.0306 8.8046 127.5505 54.7429 31.2236 174.2260 104 T 4.9890 8.9428 123.0771 61.4893 71.9560 174.4897 *105 F 4.0648 8.6494 120.4703 57.0561 37.9317 173.2132 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 12 G 8.35 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 13 E 8.47 4.71 0.00 1.95 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 2.26 2.39 0.00 14 L 9.40 4.55 0.00 1.74 1.44 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.37 5.07 1.87 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 1.38 0.73 0.88 0.00 0.00 16 H 9.47 5.04 0.00 3.08 3.32 0.00 5.22 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.56 5.07 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 18 V 8.82 4.41 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 0.97 0.00 0.00 0.90 0.00 0.00 19 T 8.65 4.95 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 1.18 0.00 0.00 20 L 8.74 4.88 0.00 1.62 1.81 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.81 5.48 0.00 2.74 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 22 K 9.05 4.31 0.00 1.55 1.10 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.85 1.12 7.81 23 T 8.44 3.94 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 1.15 0.00 0.00 24 G 9.13 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 0.00 0.00 0.00 25 K 7.96 4.70 0.00 1.71 1.62 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.50 7.81 26 K 8.61 4.05 0.00 1.72 1.85 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.36 7.81 27 S 7.17 4.36 0.00 3.94 3.80 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 28 F 8.51 4.17 0.00 3.22 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.61 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.69 5.02 1.90 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 1.41 0.82 0.95 0.00 0.00 31 C 9.02 5.07 0.00 2.89 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 32 I 8.35 5.19 1.96 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 1.36 0.69 0.92 0.00 0.00 33 V 8.52 4.64 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 0.67 0.00 0.00 0.99 0.00 0.00 34 R 8.85 4.69 0.00 1.73 1.91 0.00 3.39 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 35 G 9.59 4.22 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 0.00 36 E 8.14 5.49 0.00 2.01 1.90 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 2.14 2.29 0.00 37 V 8.82 4.58 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 0.71 0.00 0.00 1.23 0.00 0.00 38 K 8.60 4.56 0.00 1.97 1.85 0.00 1.16 0.00 0.00 2.36 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 39 D 8.32 4.70 0.00 2.70 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 40 S 7.76 4.58 0.00 3.95 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 41 P 0.00 4.67 0.00 2.18 2.19 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 42 N 8.07 5.02 0.00 2.70 2.82 0.00 0.00 6.65 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 43 T 7.57 4.78 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 1.21 0.00 0.00 44 K 8.31 4.96 0.00 1.61 1.71 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.71 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.44 7.81 45 T 9.05 4.84 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 T 8.42 5.09 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 1.25 0.00 0.00 47 G 8.32 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 48 I 7.43 4.95 1.76 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 1.38 0.97 0.88 0.00 0.00 49 F 9.37 5.27 0.00 2.93 2.94 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 50 I 8.84 4.42 2.05 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 1.12 0.70 0.95 0.00 0.00 51 K 9.33 4.33 0.00 1.74 1.84 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.38 7.81 52 G 7.73 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 0.00 0.00 0.00 0.00 53 I 8.07 5.18 1.88 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 1.26 0.74 0.94 0.00 0.00 54 V 8.85 3.93 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 0.96 0.00 0.00 0.95 0.00 0.00 55 P 0.00 4.20 0.00 2.21 1.98 0.00 3.91 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 1.98 1.94 0.00 56 D 9.17 4.48 0.00 2.85 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 57 S 7.69 4.65 0.00 4.26 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 58 P 0.00 4.27 0.00 2.42 2.37 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 59 A 8.05 4.03 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 60 H 8.15 4.38 0.00 3.40 3.57 0.00 5.88 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 61 L 8.17 3.96 0.00 1.63 1.72 0.93 0.81 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 62 C 8.30 4.17 0.00 3.07 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 63 G 7.79 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 0.00 0.00 0.00 64 R 7.51 4.57 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 65 L 7.78 4.95 0.00 1.62 1.57 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 K 9.60 4.71 0.00 1.98 1.68 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.49 7.81 67 V 8.23 3.92 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 0.89 0.00 0.00 0.95 0.00 0.00 68 G 9.10 4.17 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 0.00 0.00 0.00 69 D 8.26 4.85 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.61 4.52 0.00 1.21 0.91 0.00 2.86 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.36 0.00 71 I 8.11 4.43 1.76 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 1.14 0.50 0.84 0.00 0.00 72 L 9.05 4.35 0.00 1.49 1.63 0.87 0.42 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 73 S 7.63 5.02 0.00 3.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.63 4.77 0.00 1.57 1.43 0.74 0.69 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 75 N 9.97 4.10 0.00 2.78 2.79 0.00 0.00 7.15 7.20 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 76 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.77 4.34 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.32 7.81 78 D 8.70 4.71 0.00 2.65 2.55 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 0.00 0.00 0.00 79 V 8.47 4.78 2.04 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 1.14 0.00 0.00 0.92 0.00 0.00 80 R 8.55 3.86 0.00 1.88 1.96 0.00 3.04 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 81 N 7.89 5.02 0.00 2.67 2.78 0.00 0.00 6.93 7.57 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 82 S 7.72 4.39 0.00 3.99 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 83 T 8.08 4.56 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 1.21 0.00 0.00 84 E 8.57 3.96 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 2.45 0.00 85 Q 8.14 3.97 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 86 A 7.96 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 87 V 7.60 3.53 2.20 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 0.98 0.00 0.00 0.97 0.00 0.00 88 I 7.88 3.72 2.03 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 1.75 0.70 0.94 0.00 0.00 89 D 8.50 4.37 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.66 3.98 0.00 1.82 1.70 0.89 0.92 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 91 I 7.89 3.80 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.95 0.00 0.00 92 K 8.14 4.20 0.00 1.88 1.92 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.70 7.81 93 E 7.90 4.22 0.00 2.15 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 2.35 2.45 0.00 94 A 7.20 4.44 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 95 D 8.88 4.79 0.00 2.71 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 0.00 0.00 0.00 96 F 9.64 5.05 0.00 3.11 3.23 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 97 K 7.80 5.93 0.00 1.13 1.49 0.00 1.65 0.00 0.00 2.53 0.00 0.00 2.93 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.09 0.21 7.81 98 I 7.95 4.62 1.51 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.35 0.36 0.00 0.00 99 E 9.44 4.85 0.00 1.95 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 2.15 2.20 0.00 100 L 9.03 5.03 0.00 1.48 1.43 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.71 4.71 0.00 2.00 1.85 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 2.19 2.23 0.00 102 I 8.86 4.89 1.53 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.92 0.00 0.00 103 Q 8.80 5.03 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 104 T 8.94 4.99 4.35 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 1.28 0.00 0.00 *105 F 8.65 4.06 0.00 2.52 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.