NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3363 0.0000 0.0000 62.4565 32.5156 176.7141 6 T 3.9523 8.2781 112.9847 60.4607 71.1289 173.3465 7 I 3.7936 8.3163 119.8170 64.0925 38.3835 178.0642 8 N 4.2396 8.1475 117.4333 57.1267 38.7305 176.4467 9 Q 4.0152 8.1419 119.0984 59.2044 28.2071 179.2685 10 L 4.0441 7.9452 119.8708 57.4400 41.5176 179.3131 11 V 3.7576 7.8103 117.0147 65.4024 31.4597 176.3671 12 R 4.3717 7.6725 115.3597 57.8008 31.3656 177.9168 13 K 4.0878 8.5114 120.4684 58.9806 32.7452 178.9026 14 G 3.9673 7.8537 103.6563 45.1687 0.0000 172.2579 15 R 4.4608 8.0896 117.0532 54.4397 31.5599 175.9334 16 E 4.3211 8.4684 122.7127 54.6047 30.4662 175.7499 17 K 4.1986 8.7757 127.9678 56.2731 34.1453 175.0645 18 V 2.6557 8.3759 111.3449 62.7249 31.2006 177.0645 19 R 3.9777 9.2324 132.3519 57.3697 28.4004 174.3922 20 K 4.3391 7.9647 122.3745 55.6815 34.0591 176.6797 21 K 4.4025 8.1749 119.3707 54.2558 33.9777 175.4347 22 S 4.0661 8.6536 118.8025 58.1526 61.3801 174.4422 23 K 3.7159 8.3507 128.4602 58.1232 32.1136 176.8780 24 V 3.9913 7.4715 115.2780 62.3625 32.6770 171.3801 25 P 4.5491 0.0000 0.0000 61.9152 29.2269 177.5819 26 A 4.4332 8.1389 125.9107 52.7116 18.1444 174.2608 27 L 3.2534 9.7714 126.1367 56.6637 42.1681 176.6754 28 K 3.8541 9.3973 122.2409 56.1414 32.1836 175.8311 29 G 3.7165 8.1848 105.5899 46.5133 0.0000 173.4756 30 A 4.5003 7.6968 121.2521 49.6527 20.5861 176.7476 31 P 3.9995 0.0000 0.0000 65.2750 31.2974 176.3505 32 F 5.3546 7.4193 111.9998 55.3433 43.5401 173.5549 33 R 4.6553 8.3868 117.6654 55.6012 33.3262 174.7775 34 R 4.7246 8.9145 126.7699 56.9220 31.9024 174.9615 35 G 4.4214 9.0037 109.6120 45.4035 0.0000 171.8813 36 V 4.9168 8.2187 120.2389 60.7840 34.4502 174.4944 37 C 4.7052 8.8825 126.1804 60.3221 28.4667 174.2001 38 T 4.2117 8.6644 114.4776 63.2582 70.1168 175.5235 39 V 4.5491 7.4948 120.0772 61.0601 35.4748 173.7656 40 V 4.8467 8.3991 119.5562 59.6976 33.9842 174.8129 41 R 4.6533 8.9453 124.9581 55.0168 34.4755 173.5256 42 T 4.8995 8.4910 117.4159 60.8370 68.2698 173.8196 43 V 4.6509 8.6389 123.1297 59.7073 34.6373 175.5760 44 T 4.9888 8.2453 113.3973 59.7702 70.0701 172.7300 45 P 4.7021 0.0000 0.0000 61.2114 32.6415 180.0868 46 K 4.2534 9.0231 122.9962 56.7589 31.5579 177.8522 47 K 4.0821 8.5717 119.5166 57.1379 32.0346 175.0214 48 P 4.7077 0.0000 0.0000 62.9904 31.4029 176.3548 49 N 5.1153 8.4636 115.1894 52.3101 42.2310 174.0168 50 S 4.5180 8.3500 114.1317 56.1435 65.7202 173.4419 51 A 4.2673 7.4308 127.0228 52.6528 22.4220 174.5424 52 L 5.0867 8.1419 115.2105 52.9423 42.7055 175.5390 53 R 4.1912 9.1774 122.8752 55.6784 31.6756 175.9127 54 K 4.4813 8.6380 123.9060 56.2612 32.7916 176.2290 55 V 4.9642 8.4291 118.1994 59.5864 35.7238 174.4264 56 A 5.0395 9.0180 121.3058 51.1209 23.0724 175.4296 57 K 4.7501 8.7993 120.2291 54.9415 34.3919 175.8656 58 V 4.8069 8.4370 124.4868 60.8508 34.8607 174.3643 59 R 4.6495 8.8169 128.8536 55.4617 30.6950 175.8547 60 L 4.8327 8.4966 126.9759 53.5910 43.8068 177.1632 61 T 4.5321 7.7387 108.3522 62.4852 68.9574 175.6868 62 S 4.6060 8.5282 114.8506 59.1709 65.3145 176.1974 63 G 3.9973 8.5115 109.0658 45.7965 0.0000 174.4346 64 Y 4.2526 7.4506 116.5548 58.7515 39.0704 175.7156 65 E 5.4262 8.9269 118.1236 58.6869 33.5323 176.2226 66 V 3.6996 7.6465 112.2589 60.0180 33.2650 175.1366 67 T 4.9065 8.6659 114.0649 61.3056 70.6784 173.3554 68 A 5.2650 9.8634 126.1299 50.4956 23.4421 173.7960 69 Y 4.7454 8.9432 120.0123 56.1391 41.5695 174.8320 70 I 4.4399 6.7759 125.7285 58.9786 38.5075 174.8507 71 P 4.5646 0.0000 0.0000 63.2221 32.1726 176.1841 72 G 4.0183 8.3383 108.6467 46.8915 0.0000 171.9199 73 E 4.4449 8.9902 118.3338 57.2787 31.1127 176.1317 74 G 4.0084 9.8866 111.7771 46.2319 0.0000 171.2469 75 H 4.9945 8.0942 117.0145 53.8930 31.9833 172.7374 76 N 4.8306 8.5426 116.1934 52.4885 37.2199 175.9403 77 L 4.5342 7.6372 118.6040 54.1369 42.7133 177.0898 78 Q 4.3191 8.2658 125.5855 55.5091 30.4197 176.4961 79 E 4.5069 8.6721 122.6252 57.5074 29.4550 177.3743 80 H 5.0752 7.6922 109.9054 56.3832 32.1318 173.5434 81 S 4.4747 8.2016 116.0680 58.3378 63.8006 174.3051 82 V 4.1647 9.3510 124.7327 63.1396 32.9807 174.4436 83 V 4.5664 7.9177 119.9025 62.4121 35.8928 170.1393 84 L 5.0827 8.1116 126.5391 53.2499 44.8647 174.5037 85 I 4.8338 8.5427 125.7489 59.8035 40.0854 175.0432 86 R 4.4553 9.8419 131.2259 59.4217 30.7249 176.0209 87 G 3.9016 9.2993 103.6953 44.4703 0.0000 174.1779 88 G 3.9297 8.7874 109.1136 45.3912 0.0000 174.0648 89 R 4.1692 7.8676 122.4823 55.5328 29.6362 176.7171 90 V 4.3306 7.9718 110.9510 61.7147 31.8506 173.1771 91 K 4.1454 7.3329 123.6506 55.2142 32.3712 174.1964 92 D 5.1727 7.3988 133.1465 54.2439 42.2956 175.5452 93 L 4.8794 7.3429 119.3507 50.8524 41.8639 172.0937 94 P 4.1919 0.0000 0.0000 64.5230 31.8304 176.4920 95 G 4.1542 9.6097 111.8966 45.2588 0.0000 172.8280 96 V 4.5816 7.6359 118.1962 61.1459 34.2375 176.0700 97 R 4.5722 8.3187 121.8885 55.9005 32.2156 174.3156 98 Y 4.8761 8.0678 114.8964 56.9866 42.8181 173.5162 99 H 5.3478 9.0706 118.2663 54.1299 32.6277 173.2959 100 I 4.5358 8.8224 124.2199 60.1114 37.3839 175.5710 101 V 3.5458 8.1152 128.1990 63.0652 31.7306 176.2629 102 R 3.9004 8.4427 127.5347 57.5599 30.5050 177.2564 103 G 3.8836 8.9662 109.3682 44.6366 0.0000 173.0480 104 V 4.2718 7.1309 117.8946 61.4814 35.3596 176.8471 105 Y 3.8152 7.6882 122.3267 60.0003 37.1088 171.6392 106 D 4.6795 8.8283 128.3313 55.2251 40.3530 175.4355 107 A 4.3491 8.9193 125.4854 51.0351 19.5431 177.2851 108 A 4.6177 8.4643 126.3571 50.0716 21.2335 176.7022 109 G 4.2910 8.2342 107.0556 45.7475 0.0000 172.6117 110 V 4.3663 7.6494 119.0368 60.9876 32.0294 176.1318 111 K 4.0861 8.7926 129.4155 56.5400 33.1630 175.4417 112 D 4.3226 8.5114 121.2079 55.6677 38.4580 174.4233 113 R 4.4744 7.9327 117.3246 54.7073 32.0478 174.2731 114 K 4.4267 8.5293 124.7842 57.7383 34.3550 179.5499 115 K 4.3564 7.5356 120.1198 54.9712 31.1791 178.2660 116 S 4.0480 8.6394 126.3177 60.5730 62.4122 173.8872 117 R 4.5546 8.3299 123.8591 56.3357 32.1801 178.5882 118 S 4.1247 8.3671 112.0609 61.2040 62.0971 174.7390 119 K 4.3069 7.9292 118.6424 57.2155 32.6912 177.3846 120 Y 3.3037 8.3034 116.6068 58.4398 35.8681 171.1128 121 G 3.7406 7.9100 101.8697 47.3623 0.0000 173.3942 122 T 4.8499 7.8544 123.5226 61.5220 72.9075 174.4095 123 K 4.1002 8.4026 124.5345 55.6827 32.8117 177.3697 124 K 4.0825 8.4587 124.3353 55.2062 31.0785 174.3160 125 P 4.1852 0.0000 0.0000 62.4437 31.4414 176.3136 126 K 3.9668 8.5778 123.5354 56.5569 32.3599 177.6149 127 E 4.2576 8.5540 127.0159 56.2724 27.2942 177.1897 128 A 4.1657 7.7257 127.8902 51.7815 16.4814 177.9193 *129 A 4.1172 7.6962 126.3241 51.7026 18.9464 177.0865 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 5 P 0.00 4.34 0.00 2.19 2.13 0.00 3.74 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 1.88 1.96 0.00 6 T 8.28 3.95 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 7 I 8.32 3.79 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 1.52 1.19 0.91 0.00 0.00 8 N 8.15 4.24 0.00 2.82 2.80 0.00 0.00 7.16 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 9 Q 8.14 4.02 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 10 L 7.95 4.04 0.00 1.97 1.71 0.92 0.66 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 11 V 7.81 3.76 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 0.83 0.00 0.00 0.94 0.00 0.00 12 R 7.67 4.37 0.00 1.80 1.85 0.00 3.27 0.00 0.00 3.22 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.92 0.00 13 K 8.51 4.09 0.00 1.92 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 14 G 7.85 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 0.00 0.00 0.00 15 R 8.09 4.46 0.00 1.80 1.85 0.00 3.36 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 16 E 8.47 4.32 0.00 1.92 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 2.25 2.28 0.00 17 K 8.78 4.20 0.00 1.75 1.69 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 8.38 2.66 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 19 R 9.23 3.98 0.00 1.84 2.27 0.00 3.23 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 20 K 7.96 4.34 0.00 1.89 1.78 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.44 7.81 21 K 8.17 4.40 0.00 1.74 1.76 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.38 7.81 22 S 8.65 4.07 0.00 3.84 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 23 K 8.35 3.72 0.00 1.71 1.79 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.42 7.81 24 V 7.47 3.99 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 0.40 0.00 0.00 0.67 0.00 0.00 25 P 0.00 4.55 0.00 2.23 2.23 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 26 A 8.14 4.43 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 27 L 9.77 3.25 0.00 1.72 1.54 -0.17 0.67 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 28 K 9.40 3.85 0.00 1.90 1.95 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.43 7.81 29 G 8.18 3.72 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 0.00 0.00 0.00 30 A 7.70 4.50 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.00 0.00 1.75 1.66 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 32 F 7.42 5.35 0.00 2.91 3.11 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 0.00 0.00 0.00 0.00 33 R 8.39 4.66 0.00 1.91 1.72 0.00 3.19 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 34 R 8.91 4.72 0.00 2.02 1.78 0.00 2.88 0.00 0.00 2.77 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 35 G 9.00 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 36 V 8.22 4.92 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 0.96 0.00 0.00 0.88 0.00 0.00 37 C 8.88 4.71 0.00 3.00 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 38 T 8.66 4.21 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 1.23 0.00 0.00 39 V 7.49 4.55 2.08 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 0.96 0.00 0.00 0.93 0.00 0.00 40 V 8.40 4.85 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 0.82 0.00 0.00 1.02 0.00 0.00 41 R 8.95 4.65 0.00 1.80 1.69 0.00 3.24 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 42 T 8.49 4.90 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 1.22 0.00 0.00 43 V 8.64 4.65 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 0.74 0.00 0.00 1.06 0.00 0.00 44 T 8.25 4.99 4.26 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 1.23 0.00 0.00 45 P 0.00 4.70 0.00 2.09 2.23 0.00 3.71 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 2.02 2.12 0.00 46 K 9.02 4.25 0.00 1.75 0.83 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.39 7.81 47 K 8.57 4.08 0.00 1.79 1.56 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.35 7.81 48 P 0.00 4.71 0.00 2.22 2.12 0.00 3.76 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 1.98 1.98 0.00 49 N 8.46 5.12 0.00 2.69 2.71 0.00 0.00 6.53 7.60 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 50 S 8.35 4.52 0.00 3.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.43 4.27 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 52 L 8.14 5.09 0.00 1.51 1.61 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.18 4.19 0.00 2.06 2.16 0.00 3.26 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.98 0.00 54 K 8.64 4.48 0.00 1.44 1.44 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.52 7.81 55 V 8.43 4.96 2.19 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 0.89 0.00 0.00 1.02 0.00 0.00 56 A 9.02 5.04 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 57 K 8.80 4.75 0.00 1.73 1.73 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.37 7.81 58 V 8.44 4.81 2.03 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 0.96 0.00 0.00 0.92 0.00 0.00 59 R 8.82 4.65 0.00 1.95 1.79 0.00 3.22 0.00 0.00 3.47 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 60 L 8.50 4.83 0.00 1.69 1.57 0.87 0.61 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 61 T 7.74 4.53 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 1.24 0.00 0.00 62 S 8.53 4.61 0.00 4.12 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 63 G 8.51 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 64 Y 7.45 4.25 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 65 E 8.93 5.43 0.00 1.95 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 2.21 2.17 0.00 66 V 7.65 3.70 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 0.86 0.00 0.00 0.43 0.00 0.00 67 T 8.67 4.91 4.29 0.00 0.00 0.00 0.00 0.00 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 68 A 9.86 5.26 1.27 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 0.00 0.00 0.00 69 Y 8.94 4.75 0.00 2.94 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 70 I 6.78 4.44 1.53 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.58 0.71 0.00 0.00 71 P 0.00 4.56 0.00 1.71 1.78 0.00 3.75 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 2.00 2.33 0.00 72 G 8.34 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 73 E 8.99 4.44 0.00 1.97 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 2.27 2.35 0.00 74 G 9.89 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 75 H 8.09 4.99 0.00 3.19 3.17 0.00 5.49 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.54 4.83 0.00 2.82 2.90 0.00 0.00 5.95 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 77 L 7.64 4.53 0.00 1.77 1.69 0.87 1.03 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 78 Q 8.27 4.32 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.23 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 79 E 8.67 4.51 0.00 1.94 1.97 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 2.33 2.33 0.00 80 H 7.69 5.08 0.00 2.98 3.24 0.00 6.00 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.20 4.47 0.00 3.80 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 82 V 9.35 4.16 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 0.60 0.00 0.00 0.90 0.00 0.00 83 V 7.92 4.57 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 0.88 0.00 0.00 0.96 0.00 0.00 84 L 8.11 5.08 0.00 1.48 1.29 0.33 0.70 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 85 I 8.54 4.83 2.03 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 1.06 1.30 0.96 0.00 0.00 86 R 9.84 4.46 0.00 1.98 2.16 0.00 3.41 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.01 0.00 87 G 9.30 3.90 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 0.00 0.00 0.00 88 G 8.79 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.87 4.17 0.00 1.93 1.93 0.00 2.65 0.00 0.00 3.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 90 V 7.97 4.33 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 0.65 0.00 0.00 0.66 0.00 0.00 91 K 7.33 4.15 0.00 1.69 1.75 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.51 7.81 92 D 7.40 5.17 0.00 2.77 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 93 L 7.34 4.88 0.00 1.69 1.56 1.05 1.23 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 94 P 0.00 4.19 0.00 2.04 2.06 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 95 G 9.61 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 0.00 0.00 0.00 96 V 7.64 4.58 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 1.15 0.00 0.00 1.07 0.00 0.00 97 R 8.32 4.57 0.00 1.21 1.41 0.00 3.14 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 98 Y 8.07 4.88 0.00 2.94 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 99 H 9.07 5.35 0.00 3.15 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.82 4.54 1.89 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 1.13 0.68 0.94 0.00 0.00 101 V 8.12 3.55 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 0.51 0.00 0.00 0.86 0.00 0.00 102 R 8.44 3.90 0.00 1.79 1.90 0.00 3.62 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 103 G 8.97 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 0.00 104 V 7.13 4.27 1.60 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 0.14 0.00 0.00 0.69 0.00 0.00 105 Y 7.69 3.82 0.00 3.08 2.14 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 0.00 106 D 8.83 4.68 0.00 2.96 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 0.00 107 A 8.92 4.35 1.28 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 0.00 0.00 108 A 8.46 4.62 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 0.00 109 G 8.23 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 4.37 2.17 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 0.86 0.00 0.00 1.23 0.00 0.00 111 K 8.79 4.09 0.00 1.82 1.71 0.00 1.98 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.48 7.81 112 D 8.51 4.32 0.00 2.82 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 0.00 113 R 7.93 4.47 0.00 1.69 1.94 0.00 3.14 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 114 K 8.53 4.43 0.00 1.75 1.81 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.42 7.81 115 K 7.54 4.36 0.00 1.63 1.41 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.35 7.81 116 S 8.64 4.05 0.00 3.61 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 0.00 117 R 8.33 4.55 0.00 1.84 2.06 0.00 3.18 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.98 0.00 118 S 8.37 4.12 0.00 3.84 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 0.00 119 K 7.93 4.31 0.00 2.37 1.91 0.00 1.96 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.56 7.81 120 Y 8.30 3.30 0.00 3.06 3.15 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 0.00 121 G 7.91 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.85 4.85 4.26 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 1.22 0.00 0.00 123 K 8.40 4.10 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.46 4.08 0.00 1.71 1.77 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 125 P 0.00 4.19 0.00 2.21 2.06 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 126 K 8.58 3.97 0.00 1.71 1.78 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.52 7.81 127 E 8.55 4.26 0.00 1.99 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 2.31 2.30 0.00 128 A 7.73 4.17 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 *129 A 7.70 4.12 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 * Residues marked with a * may have inaccurate shift predictions.