NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 A 4.1401 8.2595 123.5826 52.1160 20.5371 177.8413 *-4 A 4.3149 7.8472 116.0633 49.9452 20.1711 176.4224 -3 D 5.2554 7.1038 125.0511 54.1712 43.1559 175.5200 -2 I 4.3693 8.7795 127.7245 58.7972 38.6712 173.9147 -1 G 3.2606 8.2524 117.3599 45.1062 0.0000 172.4865 -6 S 4.2901 8.3295 115.4826 57.9160 65.2371 174.6413 *2 G 3.9741 8.8847 111.9555 45.3757 0.0000 174.5971 3 D 4.6334 9.0903 116.6314 52.1631 45.1321 172.4661 4 P 3.9545 0.0000 0.0000 65.8056 31.6041 175.9567 5 L 4.3761 6.9828 120.1053 54.2416 43.2686 178.1415 6 T 4.5292 8.2204 121.3675 62.6366 70.4969 175.1151 7 W 4.1927 8.4305 132.5440 60.7160 30.4257 178.6493 8 S 3.9116 8.0392 114.6094 61.7153 62.0300 176.8200 9 K 3.9356 7.9869 120.0284 58.9754 31.7385 179.3557 10 A 3.8840 8.0781 121.5905 55.1201 18.5412 179.5482 11 L 3.7597 7.6251 117.4411 57.9075 41.4923 179.5991 12 K 3.7842 7.3185 118.0056 58.9195 32.0020 177.6236 13 K 4.4280 7.0865 115.6493 56.7614 33.2386 178.0002 14 L 4.1511 8.1614 119.4070 57.5047 41.7181 177.5945 15 E 4.0343 8.6863 114.1130 58.6992 29.4968 180.0697 16 K 4.0640 7.6454 126.2922 59.0677 33.5738 176.3931 17 V 3.9721 8.6361 120.6180 62.0367 30.7935 175.4369 18 T 4.3379 8.4433 118.5626 61.8089 68.5991 173.0144 19 V 4.1892 8.0377 119.9923 63.6524 33.9359 176.9402 20 Q 4.0006 7.5962 124.1564 56.4540 29.0375 176.2720 21 G 3.9588 7.6182 105.8528 45.4608 0.0000 172.7138 22 S 4.5747 7.7684 114.0971 56.8158 63.9254 174.1629 23 Q 4.2635 7.7939 120.9809 56.1835 29.7052 174.0722 24 K 4.9844 8.1846 123.1742 53.9486 35.2993 175.6502 25 L 4.0530 8.4440 125.9466 56.3383 43.0715 175.7098 26 T 4.7378 8.9613 119.6581 60.4171 70.1715 174.8330 27 T 3.9091 8.8070 124.4639 67.2639 68.4770 176.0815 28 G 3.7669 8.1752 106.8503 48.3080 0.0000 175.2330 29 N 4.2152 7.9434 118.3931 55.8463 38.7270 177.0703 30 C 4.0587 7.9204 117.8538 63.0484 28.1485 175.9826 31 N 4.6605 8.0640 116.1272 55.5873 38.3004 177.1178 32 W 4.3820 8.4063 130.2210 60.2908 31.1158 177.6183 33 A 3.4240 8.6862 120.9335 55.0309 17.5467 178.9661 34 L 4.0949 8.3258 115.9400 56.1563 41.7658 178.1505 35 S 4.2021 8.1471 113.3269 61.4337 62.7946 175.7598 36 L 3.9028 7.1221 120.4258 57.9129 40.9149 180.1537 37 V 3.6191 7.7457 111.6981 64.5388 31.6306 177.9126 38 D 4.9882 7.5400 119.0852 57.4223 41.0425 177.1920 39 L 4.0896 8.5403 121.7876 57.9014 41.7773 178.2758 40 F 4.3268 9.0172 121.5606 62.6353 39.5192 176.5500 41 H 3.8308 8.1780 120.6976 55.7095 29.3627 173.4490 42 D 4.4700 7.7216 120.7233 55.0555 40.4718 172.1077 43 T 4.3465 8.2917 120.3701 61.3271 71.1727 174.3964 44 N 4.5409 8.6626 110.7620 54.5583 42.7060 179.6550 45 F 3.0472 6.6398 112.4471 56.9610 41.1518 177.5803 46 V 3.8019 7.3738 128.1075 64.7836 31.6350 177.9479 47 K 4.3188 9.5144 118.5001 57.3354 32.4592 176.5896 48 E 4.7038 9.6931 117.9162 54.7019 31.0841 176.0788 49 K 4.3843 8.5448 120.7584 57.8726 33.1344 175.9513 50 D 4.1868 7.6798 115.5159 53.9714 43.7449 174.2306 51 W 5.5430 7.2552 118.8862 55.5845 30.9506 173.2113 52 Q 4.8847 8.8217 115.8857 54.0345 30.9648 175.9173 53 L 4.3589 9.6840 124.4464 58.5498 41.6308 179.9011 54 R 2.5100 8.1057 116.0973 58.9878 29.7078 177.3887 55 D 4.4764 8.5842 118.7921 56.7034 41.4280 178.3992 56 V 3.8180 7.5565 118.5062 63.8026 31.7433 177.8936 57 I 3.4559 8.4352 120.6231 64.2704 36.9170 175.5495 58 P 4.2729 0.0000 0.0000 64.3763 31.4234 177.7512 59 L 3.9850 7.8743 116.7887 59.0481 42.2315 181.0764 60 L 3.5798 7.3950 118.2925 57.5951 41.8716 179.1743 61 E 3.9694 8.3171 119.9886 59.6495 29.6666 177.9226 62 D 4.6604 8.1206 114.6406 55.1280 41.1545 177.6236 63 V 4.0899 7.7856 119.6857 65.4803 32.6695 177.7589 64 T 3.5475 7.6630 112.1993 64.6305 66.9297 175.8490 65 Q 3.8571 7.9793 120.9880 58.9050 29.0401 177.8855 66 T 4.0111 7.5229 116.3235 65.1894 69.0424 175.2593 67 L 4.0531 6.1328 116.9633 55.2270 42.2257 176.3708 68 S 4.6162 8.2075 112.4214 57.9012 66.4856 176.3663 69 G 3.6196 8.4970 110.0967 46.5237 0.0000 175.5650 70 Q 3.8474 8.8928 120.4119 59.5314 28.6420 178.6932 71 E 4.2502 7.9423 116.9469 59.0917 29.3619 178.8825 72 R 3.8314 8.3239 116.5856 60.8986 30.4728 178.7599 73 E 3.2307 9.2442 113.7415 58.6512 30.5192 178.9727 74 A 3.9713 8.2463 121.3329 54.9984 18.8537 179.5863 75 F 4.0387 9.1537 120.2895 61.3303 39.3891 177.1038 76 E 3.9016 8.8464 117.6038 59.5802 29.6683 179.0338 77 R 2.8120 6.8616 119.6257 58.5660 29.9923 179.1145 78 T 3.7476 7.6995 115.4115 66.2592 67.9438 176.4464 79 W 4.2165 7.1207 120.6603 60.0458 29.0021 178.5677 80 W 4.7375 8.1412 118.7026 60.0305 28.4016 178.0683 81 A 4.2273 7.6859 119.2417 54.7892 18.4020 179.2693 82 I 3.7995 8.1093 116.8297 64.0541 37.7811 178.4406 83 S 4.4031 9.4805 114.8939 62.3723 63.1159 175.6339 84 A 3.9781 8.4202 124.0673 53.4440 17.9301 179.3999 85 V 3.8611 8.2435 119.7488 65.0654 33.1542 179.9441 86 K 4.2697 8.2470 121.1444 56.1045 30.0446 177.9222 *88 G 3.7829 7.8599 107.1257 44.9087 0.0000 172.2823 89 L 3.9896 7.7791 121.6362 55.2421 41.7565 176.1083 90 Q 4.3701 8.3951 125.4105 55.9781 29.4284 175.2053 91 I 4.5823 7.8485 119.3239 60.3705 41.6372 173.1550 92 N 4.7351 9.0488 117.7441 54.3716 40.7578 173.2289 93 N 5.3184 7.5674 117.5232 53.1395 40.6553 176.3811 94 V 3.4120 8.7330 120.3241 64.3468 32.1182 178.5641 95 V 4.1197 8.9487 119.8427 65.9796 31.2554 178.8568 96 D 4.4104 8.7858 120.0553 56.9806 40.4684 178.7758 97 G 4.2502 7.6060 104.6895 45.1669 0.0000 175.2009 98 K 2.5344 8.0573 121.9193 58.3152 31.9434 178.3182 99 A 3.5703 7.6035 117.8981 55.3861 18.9871 180.4232 100 S 3.8778 7.7645 108.1363 59.8783 64.6682 176.2234 101 F 4.4903 8.2160 124.5372 58.4561 38.6327 177.5325 102 Q 3.5273 7.8590 116.1681 59.4778 29.6588 178.6658 103 L 3.9116 8.5959 122.8113 56.1307 41.5508 178.5649 104 L 3.5442 7.6855 123.6943 57.9478 42.3743 179.3011 105 R 3.8815 7.9556 118.9217 59.0035 29.9006 178.0903 106 A 3.3974 7.8197 120.5450 55.1634 18.3633 179.1728 107 K 3.9030 7.8477 117.2918 58.1767 33.5681 177.2246 108 Y 4.6916 8.0347 119.7781 56.4156 36.5229 175.4548 109 E 4.2691 7.6204 122.1669 56.5507 30.7037 175.9322 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 -6 A 8.26 4.14 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 *-4 A 7.85 4.31 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 -3 D 7.10 5.26 0.00 2.76 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 -2 I 8.78 4.37 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 0.90 0.92 0.00 0.00 -1 G 8.25 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 0.00 0.00 0.00 -6 S 8.33 4.29 0.00 3.66 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 *2 G 8.88 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 3 D 9.09 4.63 0.00 2.64 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 4 P 0.00 3.95 0.00 2.25 1.97 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 5 L 6.98 4.38 0.00 1.70 1.60 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.22 4.53 4.21 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 1.21 0.00 0.00 7 W 8.43 4.19 0.00 2.44 3.10 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 0.00 0.00 0.00 8 S 8.04 3.91 0.00 3.86 3.83 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 9 K 7.99 3.94 0.00 1.92 1.84 0.00 1.52 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.54 7.81 10 A 8.08 3.88 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 11 L 7.63 3.76 0.00 1.38 1.47 -0.31 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.32 3.78 0.00 1.80 1.92 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.60 7.81 13 K 7.09 4.43 0.00 1.87 1.82 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.57 7.81 14 L 8.16 4.15 0.00 1.69 1.71 1.01 0.95 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 15 E 8.69 4.03 0.00 2.08 1.80 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 2.31 2.29 0.00 16 K 7.65 4.06 0.00 1.76 1.81 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.47 7.81 17 V 8.64 3.97 2.27 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 1.04 0.00 0.00 1.00 0.00 0.00 18 T 8.44 4.34 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 19 V 8.04 4.19 2.15 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 0.74 0.00 0.00 0.93 0.00 0.00 20 Q 7.60 4.00 0.00 2.19 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 21 G 7.62 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 22 S 7.77 4.57 0.00 3.80 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 23 Q 7.79 4.26 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 24 K 8.18 4.98 0.00 1.61 1.82 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.37 7.81 25 L 8.44 4.05 0.00 1.75 1.70 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.96 4.74 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 1.20 0.00 0.00 27 T 8.81 3.91 4.18 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 1.12 0.00 0.00 28 G 8.18 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 0.00 0.00 0.00 29 N 7.94 4.22 0.00 2.88 2.89 0.00 0.00 6.95 7.66 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 30 C 7.92 4.06 0.00 3.13 3.21 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 31 N 8.06 4.66 0.00 2.97 3.08 0.00 0.00 7.08 7.69 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 32 W 8.41 4.38 0.00 3.35 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.69 3.42 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 34 L 8.33 4.09 0.00 1.47 1.67 -0.13 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.15 4.20 0.00 4.09 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 36 L 7.12 3.90 0.00 1.65 1.42 0.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.75 3.62 1.88 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 1.08 0.00 0.00 0.78 0.00 0.00 38 D 7.54 4.99 0.00 2.88 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 39 L 8.54 4.09 0.00 1.82 1.86 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.02 4.33 0.00 2.88 3.08 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 0.00 0.00 0.00 0.00 41 H 8.18 3.83 0.00 3.32 3.31 0.00 6.05 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.72 4.47 0.00 2.76 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 43 T 8.29 4.35 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 1.27 0.00 0.00 44 N 8.66 4.54 0.00 2.61 2.79 0.00 0.00 7.01 8.13 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 45 F 6.64 3.05 0.00 2.82 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 0.00 0.00 0.00 46 V 7.37 3.80 2.16 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 0.88 0.00 0.00 1.16 0.00 0.00 47 K 9.51 4.32 0.00 1.89 1.96 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.71 7.81 48 E 9.69 4.70 0.00 2.33 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 2.33 2.26 0.00 49 K 8.54 4.38 0.00 1.78 1.89 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.28 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.55 7.81 50 D 7.68 4.19 0.00 2.70 2.39 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 51 W 7.26 5.54 0.00 3.75 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 52 Q 8.82 4.88 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 53 L 9.68 4.36 0.00 2.19 1.95 1.40 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.11 2.51 0.00 1.59 1.90 0.00 3.24 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.60 0.00 55 D 8.58 4.48 0.00 3.00 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 56 V 7.56 3.82 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 0.00 0.00 0.52 0.00 0.00 -0.11 0.00 0.00 57 I 8.44 3.46 1.88 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.01 0.93 0.00 0.00 58 P 0.00 4.27 0.00 1.94 1.97 0.00 3.69 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 59 L 7.87 3.98 0.00 1.46 1.21 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.40 3.58 0.00 1.73 1.63 -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.32 3.97 0.00 2.08 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 2.38 0.00 62 D 8.12 4.66 0.00 2.84 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 63 V 7.79 4.09 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 0.89 0.00 0.00 0.98 0.00 0.00 64 T 7.66 3.55 4.59 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 0.00 0.00 0.00 1.59 0.00 0.00 65 Q 7.98 3.86 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 66 T 7.52 4.01 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 0.84 0.00 0.00 67 L 6.13 4.05 0.00 1.51 1.54 0.24 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.21 4.62 0.00 3.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.50 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.89 3.85 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 71 E 7.94 4.25 0.00 2.08 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 0.00 2.62 2.38 0.00 72 R 8.32 3.83 0.00 1.96 2.04 0.00 3.24 0.00 0.00 3.32 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 73 E 9.24 3.23 0.00 2.25 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 2.29 2.39 0.00 74 A 8.25 3.97 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 F 9.15 4.04 0.00 3.22 3.27 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 76 E 8.85 3.90 0.00 1.97 2.26 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 2.44 1.51 0.00 77 R 6.86 2.81 0.00 1.77 1.80 0.00 2.84 0.00 0.00 2.97 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.00 78 T 7.70 3.75 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 0.57 0.00 0.00 79 W 7.12 4.22 0.00 3.03 2.50 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 0.00 0.00 0.00 0.00 80 W 8.14 4.74 0.00 3.54 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 81 A 7.69 4.23 1.42 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 82 I 8.11 3.80 1.91 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 2.00 1.71 0.63 0.00 0.00 83 S 9.48 4.40 0.00 4.59 4.37 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 84 A 8.42 3.98 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 85 V 8.24 3.86 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 1.01 0.00 0.00 1.03 0.00 0.00 86 K 8.25 4.27 0.00 2.08 2.05 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.64 1.64 7.81 *88 G 7.86 3.78 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 0.00 0.00 0.00 89 L 7.78 3.99 0.00 1.75 1.68 0.97 0.86 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 90 Q 8.40 4.37 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 91 I 7.85 4.58 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.96 0.00 0.00 92 N 9.05 4.74 0.00 2.81 2.84 0.00 0.00 6.26 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 93 N 7.57 5.32 0.00 2.71 2.66 0.00 0.00 7.34 9.05 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 94 V 8.73 3.41 2.27 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 0.85 0.00 0.00 0.94 0.00 0.00 95 V 8.95 4.12 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 0.96 0.00 0.00 1.18 0.00 0.00 96 D 8.79 4.41 0.00 2.94 2.79 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 0.00 97 G 7.61 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 0.00 0.00 0.00 0.00 98 K 8.06 2.53 0.00 1.01 1.42 0.00 1.32 0.00 0.00 1.09 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.98 0.21 7.81 99 A 7.60 3.57 1.20 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 0.00 0.00 0.00 100 S 7.76 3.88 0.00 4.09 4.13 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 0.00 101 F 8.22 4.49 0.00 3.28 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 0.00 102 Q 7.86 3.53 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.62 2.37 0.00 103 L 8.60 3.91 0.00 1.73 1.75 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.69 3.54 0.00 1.97 1.70 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.96 3.88 0.00 1.13 1.70 0.00 3.17 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 106 A 7.82 3.40 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 0.00 107 K 7.85 3.90 0.00 1.50 1.47 0.00 0.65 0.00 0.00 0.76 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.19 1.35 7.81 108 Y 8.03 4.69 0.00 2.93 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 0.00 109 E 7.62 4.27 0.00 1.90 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 2.32 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.