NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.6414 8.1776 115.5568 57.8724 65.6027 173.1919 13 S 4.8080 8.0105 115.6117 56.4353 64.7075 172.9473 14 C 4.4055 8.3865 121.4840 57.7085 44.5824 174.1722 15 K 4.5421 8.8976 123.8511 55.8806 36.2444 174.4135 16 R 4.6548 8.3329 121.2185 56.3147 30.8912 174.9745 17 H 5.0089 9.0714 122.7769 52.7912 32.6449 171.5363 18 P 4.6882 0.0000 0.0000 63.3043 32.4714 176.2766 19 L 4.1475 7.8739 120.2558 55.0117 44.3140 172.0630 20 Y 4.3300 8.4585 128.3741 56.0491 40.2804 174.7723 21 V 3.6660 7.4138 127.7500 61.2141 32.9080 174.0098 22 D 4.5043 8.0397 129.0787 53.3285 41.7757 176.9758 23 F 4.7838 8.9563 126.3249 60.6618 39.5429 177.8062 24 S 4.9276 8.9162 112.1295 59.8515 63.1784 174.9442 25 D 4.5071 8.0854 120.2638 55.7770 40.8894 177.4601 26 V 4.1063 7.5393 110.4131 60.2725 32.2610 175.3710 27 G 3.8662 8.0140 106.4861 47.0634 0.0000 174.7922 28 W 4.6771 8.3655 119.1115 56.2404 31.2941 178.1711 29 N 4.8380 8.2355 116.4735 55.5184 36.5290 176.3196 30 D 4.5604 8.0710 119.8474 55.8662 40.8096 177.4443 31 W 4.9667 7.9448 118.7501 56.8926 29.9086 175.7924 32 I 4.5561 7.8765 120.5889 59.8097 37.0295 176.0040 33 V 3.7932 8.9147 127.0895 65.5651 31.9204 176.1206 34 A 4.6608 7.5339 119.8198 50.4176 20.4267 174.0451 35 P 4.9308 0.0000 0.0000 61.2117 33.1054 175.2987 36 P 4.4555 0.0000 0.0000 63.8273 31.4550 176.6712 37 G 2.5190 6.3182 104.3567 46.2532 0.0000 170.6418 38 Y 4.6652 6.1118 115.3003 56.3423 41.7379 173.7355 39 H 4.5004 8.9488 117.6453 55.3092 28.5704 174.8763 40 A 4.2994 8.1798 126.6908 51.5313 20.5614 178.1342 41 F 4.0111 7.6711 114.9980 57.4868 38.4617 173.0576 42 Y 5.0346 8.1331 117.0887 56.7269 41.3743 172.8182 43 C 5.4766 8.7674 117.3627 55.9109 43.7792 172.8461 44 H 4.7787 8.9839 120.4128 55.9559 33.4451 172.0427 45 G 4.5117 8.5576 108.4078 42.7733 0.0000 173.2348 46 E 4.0248 8.9102 122.0975 56.1951 30.0727 175.6476 47 C 4.8371 8.5138 123.6765 54.9075 39.5871 171.6212 48 P 4.6485 0.0000 0.0000 61.0913 33.1844 174.8954 49 F 4.5122 8.4937 120.4493 56.0608 40.2040 173.5522 50 P 3.6449 0.0000 0.0000 61.0144 32.6896 175.0689 51 L 4.1583 7.8880 118.4835 53.2959 41.6499 177.1058 52 A 4.1758 8.1239 126.9285 51.2160 19.6559 177.2988 53 D 4.3571 8.8938 119.1680 57.9089 40.9445 178.5708 54 H 4.3970 8.1057 110.9007 57.2349 28.8187 175.4858 55 L 4.0815 7.9579 120.2880 55.6272 42.3099 176.5923 56 N 4.1049 7.7846 116.5407 54.1577 36.0209 174.3386 57 S 4.7702 7.6645 114.5718 56.8365 65.2225 175.4349 58 T 4.2386 8.1355 113.1047 61.4013 70.9359 175.3656 59 N 4.3528 8.6559 118.8740 56.6638 38.5169 177.0821 60 H 4.0360 8.2571 118.9604 59.2743 30.0578 176.9927 61 A 4.0963 8.2439 122.5678 55.1212 18.2208 179.6821 62 I 3.6794 7.8252 118.2985 64.5710 37.1658 178.7955 63 V 3.5641 8.2638 119.3535 66.1037 31.2970 177.7538 64 Q 3.9031 8.4941 119.6168 59.4456 28.8036 178.4714 65 T 3.9116 8.0694 116.7580 66.6701 68.3921 176.6783 66 L 3.8925 7.9144 120.8181 57.6790 41.5312 179.7677 67 V 3.5570 8.0421 118.4914 65.9554 31.2519 177.5466 68 N 4.4205 8.3579 116.5283 56.7615 38.8235 176.7186 69 S 4.2187 7.8202 114.7625 60.7483 63.1429 176.1092 70 V 4.0973 7.1443 121.3258 63.4837 31.9277 175.1496 71 N 4.7931 8.7713 118.5160 51.5698 40.2858 174.7465 72 S 4.3364 8.6876 122.4698 60.5729 63.1181 176.1604 73 K 4.0722 8.5543 119.9257 58.3878 31.9685 177.0131 74 I 4.2446 7.4398 120.3507 58.9358 37.7997 174.1313 75 P 4.4201 0.0000 0.0000 62.3316 31.8081 176.1588 76 K 4.2569 8.2283 119.4629 55.5025 32.9418 176.4846 77 A 4.3538 8.2666 122.2358 52.3975 19.4163 176.1530 78 C 4.8178 8.9820 119.3444 57.6233 34.7300 172.1318 79 C 5.0400 8.7504 125.6263 56.5038 45.0803 172.7018 80 V 4.6964 8.8894 118.9514 59.0590 36.7390 172.5638 81 P 4.9328 0.0000 0.0000 63.2562 31.1796 176.8918 82 T 4.5319 8.9844 114.3437 61.7484 70.3622 174.2982 83 E 4.7188 7.8528 123.7910 55.1391 33.0150 173.5477 84 L 5.5435 8.7063 125.8977 53.1358 45.8697 175.2943 85 S 4.9308 9.2053 114.7800 56.6600 66.9190 172.8511 86 A 5.2567 8.5389 122.0607 51.0315 20.7792 176.4647 87 I 4.7988 8.4711 111.7787 59.4590 41.1662 174.8440 88 S 5.1595 8.7246 119.1374 58.3843 64.7032 173.0392 89 M 5.0724 9.3334 119.8489 53.9073 37.0614 173.5480 90 L 5.0771 9.4051 126.5335 54.4857 44.1784 175.5949 *91 Y 5.1734 9.1264 128.5707 56.0890 41.6736 171.5063 92 L 4.7234 7.8547 124.2270 55.3646 41.9767 178.1632 93 D 4.5497 9.2640 128.1247 52.4600 41.4480 174.0094 94 E 4.5223 8.3835 115.5151 54.2886 27.4234 176.7935 95 N 4.5025 8.0515 122.3924 52.6127 41.6353 173.5343 96 E 3.6253 8.5216 116.8381 57.8794 28.5895 173.5308 97 K 4.4021 7.9343 121.4939 54.8204 33.7590 176.2018 98 V 4.2618 8.4719 127.8858 61.7719 32.1784 171.9830 99 V 4.3343 9.1637 127.5601 60.0661 33.7752 174.1580 100 L 4.9812 8.4411 129.6890 53.8185 43.2016 175.3455 101 K 4.5773 9.0731 127.0507 54.5686 35.8657 174.2181 102 N 5.0698 8.5571 124.8073 52.8412 40.5993 173.5113 103 Y 4.5509 8.8734 123.0004 56.2676 40.8657 175.7586 104 Q 4.4482 8.8986 123.3511 54.6790 30.4681 174.9729 105 D 4.4667 8.3726 117.1019 56.0629 38.5059 174.6683 106 M 4.5851 8.3518 118.0664 56.0042 34.0150 178.0005 107 V 4.7294 7.7896 118.5040 60.8542 34.5764 174.8318 108 V 4.1581 8.8477 128.6448 63.1309 31.2456 175.2299 109 E 4.4018 9.4179 128.1896 57.6563 31.0857 176.6692 110 G 4.2738 7.7973 104.2436 45.0539 0.0000 172.6728 111 C 5.6247 8.6058 118.6524 55.3534 43.1740 173.3643 112 G 4.4404 8.7124 107.5117 46.9329 0.0000 170.5559 113 C 5.3935 8.6639 116.9479 55.3688 40.8412 174.8277 114 R 4.3128 8.8870 122.5835 56.3015 30.6842 175.4681 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 S 8.18 4.64 0.00 3.94 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 0.00 13 S 8.01 4.81 0.00 3.99 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 14 C 8.39 4.41 0.00 3.13 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 15 K 8.90 4.54 0.00 1.75 1.82 0.00 1.26 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.25 1.05 7.81 16 R 8.33 4.65 0.00 1.73 1.70 0.00 2.84 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 17 H 9.07 5.01 0.00 1.55 2.72 0.00 5.86 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.69 0.00 2.10 2.11 0.00 3.80 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 2.04 2.00 0.00 19 L 7.87 4.15 0.00 2.04 1.68 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.46 4.33 0.00 2.71 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 21 V 7.41 3.67 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 0.68 0.00 0.00 0.51 0.00 0.00 22 D 8.04 4.50 0.00 2.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.96 4.78 0.00 3.19 3.17 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 24 S 8.92 4.93 0.00 3.98 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 0.00 25 D 8.09 4.51 0.00 2.79 2.68 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 26 V 7.54 4.11 1.55 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 0.44 0.00 0.00 0.23 0.00 0.00 27 G 8.01 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 28 W 8.37 4.68 0.00 3.26 2.73 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 0.00 0.00 0.00 29 N 8.24 4.84 0.00 3.03 3.25 0.00 0.00 6.29 8.07 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 30 D 8.07 4.56 0.00 2.55 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 31 W 7.94 4.97 0.00 3.37 2.89 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 32 I 7.88 4.56 1.86 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 0.90 0.32 1.08 0.00 0.00 33 V 8.91 3.79 2.22 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 0.78 0.00 0.00 0.97 0.00 0.00 34 A 7.53 4.66 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 35 P 0.00 4.93 0.00 2.43 2.32 0.00 3.96 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.10 0.00 36 P 0.00 4.46 0.00 2.27 2.21 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 37 G 6.32 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.11 4.67 0.00 3.02 2.87 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 39 H 8.95 4.50 0.00 3.05 2.62 0.00 5.69 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 40 A 8.18 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.67 4.01 0.00 3.25 3.17 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 42 Y 8.13 5.03 0.00 3.10 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 43 C 8.77 5.48 0.00 2.96 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 44 H 8.98 4.78 0.00 3.48 3.13 0.00 5.57 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 45 G 8.56 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.91 4.02 0.00 2.02 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 2.40 2.29 0.00 47 C 8.51 4.84 0.00 3.11 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 P 0.00 4.65 0.00 2.19 2.25 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 49 F 8.49 4.51 0.00 3.05 3.06 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 0.00 50 P 0.00 3.64 0.00 1.74 0.74 0.00 3.54 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 51 L 7.89 4.16 0.00 1.60 1.62 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.12 4.18 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 53 D 8.89 4.36 0.00 2.67 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 54 H 8.11 4.40 0.00 3.28 3.39 0.00 5.57 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 55 L 7.96 4.08 0.00 1.76 1.67 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.78 4.10 0.00 2.80 3.04 0.00 0.00 6.92 6.84 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 57 S 7.66 4.77 0.00 4.06 3.84 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 58 T 8.14 4.24 4.27 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 1.23 0.00 0.00 59 N 8.66 4.35 0.00 2.78 2.93 0.00 0.00 6.44 8.16 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 60 H 8.26 4.04 0.00 3.21 3.32 0.00 5.68 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 61 A 8.24 4.10 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 62 I 7.83 3.68 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 1.43 1.03 0.97 0.00 0.00 63 V 8.26 3.56 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 1.03 0.00 0.00 0.97 0.00 0.00 64 Q 8.49 3.90 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 65 T 8.07 3.91 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 66 L 7.91 3.89 0.00 1.85 1.63 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.04 3.56 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 0.98 0.00 0.00 0.96 0.00 0.00 68 N 8.36 4.42 0.00 2.97 3.08 0.00 0.00 7.29 7.18 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 69 S 7.82 4.22 0.00 3.99 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 70 V 7.14 4.10 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 0.80 0.00 0.00 0.93 0.00 0.00 71 N 8.77 4.79 0.00 2.72 2.61 0.00 0.00 7.24 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 72 S 8.69 4.34 0.00 3.90 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 73 K 8.55 4.07 0.00 1.82 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.56 7.81 74 I 7.44 4.24 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 1.30 0.79 0.92 0.00 0.00 75 P 0.00 4.42 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 76 K 8.23 4.26 0.00 1.76 1.77 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.45 7.81 77 A 8.27 4.35 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 78 C 8.98 4.82 0.00 2.97 2.77 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 79 C 8.75 5.04 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.89 4.70 2.13 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 0.68 0.00 0.00 0.96 0.00 0.00 81 P 0.00 4.93 0.00 2.00 2.06 0.00 3.71 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 2.11 2.18 0.00 82 T 8.98 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 1.30 0.00 0.00 83 E 7.85 4.72 0.00 2.03 1.78 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 2.30 2.36 0.00 84 L 8.71 5.54 0.00 1.71 1.65 1.10 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 85 S 9.21 4.93 0.00 3.88 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 86 A 8.54 5.26 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 87 I 8.47 4.80 1.83 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.52 0.90 0.00 0.00 88 S 8.72 5.16 0.00 3.95 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 89 M 9.33 5.07 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 90 L 9.41 5.08 0.00 1.85 1.56 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *91 Y 9.13 5.17 0.00 1.96 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 0.00 0.00 0.00 92 L 7.85 4.72 0.00 1.60 1.49 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 93 D 9.26 4.55 0.00 2.31 2.57 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 94 E 8.38 4.52 0.00 1.98 1.81 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 2.23 1.86 0.00 95 N 8.05 4.50 0.00 2.60 2.77 0.00 0.00 7.28 7.65 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 96 E 8.52 3.63 0.00 2.14 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 0.00 2.21 2.24 0.00 97 K 7.93 4.40 0.00 1.90 1.66 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.47 7.81 98 V 8.47 4.26 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 0.75 0.00 0.00 0.93 0.00 0.00 99 V 9.16 4.33 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 0.88 0.00 0.00 0.98 0.00 0.00 100 L 8.44 4.98 0.00 1.68 1.55 0.96 0.55 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 0.00 101 K 9.07 4.58 0.00 1.69 1.48 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.05 1.24 7.81 102 N 8.56 5.07 0.00 2.71 2.59 0.00 0.00 6.85 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 0.00 103 Y 8.87 4.55 0.00 3.06 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 0.00 104 Q 8.90 4.45 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 105 D 8.37 4.47 0.00 2.84 2.77 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 0.00 106 M 8.35 4.59 0.00 1.80 2.12 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.95 0.00 107 V 7.79 4.73 2.28 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 1.43 0.00 0.00 1.35 0.00 0.00 108 V 8.85 4.16 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 0.87 0.00 0.00 1.18 0.00 0.00 109 E 9.42 4.40 0.00 2.00 1.96 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 2.31 2.42 0.00 110 G 7.80 4.27 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 0.00 111 C 8.61 5.62 0.00 2.82 2.99 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 0.00 0.00 0.00 112 G 8.71 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 0.00 0.00 0.00 0.00 113 C 8.66 5.39 0.00 2.87 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 0.00 114 R 8.89 4.31 0.00 1.69 1.77 0.00 3.33 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 * Residues marked with a * may have inaccurate shift predictions.