NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3162 8.2649 123.5802 51.8543 19.9374 178.0212 5 L 4.1379 8.5683 116.0060 51.7224 43.3357 176.2392 6 T 4.2936 9.4224 115.6685 60.9041 72.1626 175.5557 7 A 3.9961 8.4755 123.3290 55.4837 18.3681 179.8139 8 E 3.9453 8.1627 116.4473 59.7110 29.5499 179.3462 9 E 4.0408 8.2692 118.5177 59.4095 29.4261 179.5354 10 I 3.7729 7.9670 119.9358 64.5020 37.1454 178.4249 11 I 3.7424 8.0043 119.4578 63.7673 37.6985 177.6969 12 Q 3.9529 8.2419 120.7878 59.2167 28.8382 177.4858 13 Y 4.0257 8.2500 120.5895 60.9357 38.8054 178.2994 14 I 3.6187 8.1948 120.8140 64.3713 36.9677 178.4474 15 S 4.0951 8.1207 115.2955 61.8677 62.7766 176.3751 16 D 4.4531 7.9623 119.8520 57.3631 40.9384 178.4076 17 A 4.2541 8.0542 121.8178 54.5309 18.2094 179.6364 18 K 4.0619 8.0164 116.5074 59.4929 32.6201 178.5490 19 K 3.8444 7.8832 119.1364 59.1049 32.1436 177.3130 20 F 4.6912 7.6025 115.9790 57.3774 40.0621 175.9872 21 T 5.2780 9.3712 120.1196 59.6478 68.7051 170.7555 22 P 4.9951 0.0000 0.0000 62.8009 32.6217 176.4491 23 I 4.8532 9.0831 115.8035 59.0061 41.9591 173.7616 24 K 4.4292 8.8047 123.1957 54.3975 35.3067 174.7934 25 V 4.4391 8.0675 127.1806 61.1429 34.4019 173.5305 26 Y 4.8292 9.0203 126.0447 56.6843 39.9269 174.7377 27 L 5.4186 8.9534 122.9818 53.2530 46.4083 175.0960 28 N 5.5598 10.2502 120.3861 50.9252 40.9928 175.5818 29 G 3.9047 7.8893 108.3293 46.1215 0.0000 170.3523 30 N 5.2028 7.9816 121.6169 52.0425 40.5590 175.3101 31 F 4.9484 8.7504 122.5537 57.2688 39.8686 175.2767 32 E 4.2012 8.6738 121.0343 57.2163 29.7634 176.6623 33 G 3.9137 8.7142 108.8754 46.9806 0.0000 173.3849 34 I 4.0097 7.6325 118.6546 58.9887 39.9010 175.2362 35 T 4.3873 7.6327 119.9277 61.8695 70.3591 173.6109 36 Y 4.3109 8.0791 123.5268 55.5175 39.7513 173.9582 37 P 4.2956 0.0000 0.0000 62.3584 32.1080 176.9733 38 E 3.9913 8.7927 121.3377 59.4669 29.5386 178.4388 39 S 4.4088 8.1686 112.0110 60.0133 63.4781 173.4277 40 F 4.7400 8.2856 121.2753 57.1101 39.6985 174.9689 41 K 4.2969 9.2899 125.0425 54.6613 34.5657 174.6918 42 V 4.2544 7.9420 128.0029 61.2836 32.7104 174.8378 43 F 4.5854 9.1784 126.8243 56.1385 42.2820 173.8522 44 G 3.6974 8.3488 104.3731 44.3283 0.0000 171.5291 45 S 4.9260 8.4931 115.5096 56.1704 65.8973 173.8673 46 E 4.0764 9.0092 119.7202 59.2955 29.4014 177.9120 47 Q 5.0519 8.0422 113.7951 54.8293 29.9761 174.4836 48 S 5.1712 7.8980 112.5747 57.1793 66.1581 173.1083 49 K 4.9740 9.2292 125.9813 54.4438 36.6720 175.1566 50 V 4.2764 8.4897 121.7413 61.0580 34.4294 174.1990 51 I 4.8178 8.2867 128.8854 59.4761 40.0340 174.4452 52 F 4.8944 9.1424 126.7903 56.4392 40.7373 174.9342 53 C 5.1690 8.3578 116.9329 58.3731 33.6526 172.6690 54 E 4.7417 8.8423 118.9474 55.4319 30.3183 177.6683 55 A 4.1826 9.1177 126.4628 55.9669 18.1526 179.7943 56 D 4.4772 8.2157 115.3932 57.4575 41.0025 178.0894 57 D 4.7377 8.2980 118.8982 56.4586 41.1029 178.3624 58 W 4.6207 8.5075 129.2113 60.4553 30.8487 177.6494 59 K 3.9665 8.2366 119.3077 59.2915 31.7005 177.0273 60 P 4.3115 0.0000 0.0000 65.5361 31.1713 178.0712 61 F 4.1190 8.0219 120.6695 61.4501 39.2938 176.4852 62 Y 3.8517 7.9223 119.4566 60.6082 38.2816 177.7512 63 E 3.7219 7.8094 118.0848 59.0570 29.5621 178.9860 64 A 3.7554 7.3986 119.9685 54.5552 18.8286 178.4383 65 Y 4.2217 7.3370 112.7302 57.4993 38.8180 177.9625 66 G 2.9844 7.5186 108.4175 47.4450 0.0000 175.3808 67 S 4.2394 7.4762 113.9426 59.6451 63.2610 174.4674 68 Q 4.2980 7.4698 120.6847 55.7542 28.8289 174.6252 69 F 5.5309 7.3605 117.5540 56.4936 40.8069 175.2371 70 E 4.7443 9.4819 123.5646 57.1394 31.6011 176.1390 71 D 5.0326 8.0968 117.5147 52.7642 45.6864 174.4037 72 I 5.2869 8.3064 120.6543 59.7798 41.4885 173.7842 73 E 4.7769 9.2852 127.3210 54.6084 33.5470 174.5438 74 I 4.7748 8.3502 123.6411 58.7048 40.0875 174.0973 75 E 4.4971 8.8240 127.0644 56.0638 33.3312 176.2471 *77 D 4.5734 8.6852 126.3863 54.8362 42.2019 176.4177 78 R 4.0658 8.4694 124.0953 59.0120 30.2781 178.9496 79 R 4.1103 8.7557 117.3570 58.5536 30.2331 178.4389 80 N 4.4818 8.4235 115.9424 55.3854 38.6151 176.3344 81 S 4.8109 8.1955 110.4523 57.4937 63.7837 173.4250 82 A 4.4941 7.6584 123.6792 51.6377 19.4536 177.6220 83 I 4.4525 7.9498 122.4700 58.2595 40.1661 174.0727 84 P 4.2543 0.0000 0.0000 62.6709 31.7300 176.2404 85 L 4.1132 8.3006 122.1843 57.0181 42.4200 176.2635 86 K 4.5723 7.3767 115.3003 54.9470 35.5539 174.7569 87 D 4.6880 8.3042 119.6302 52.9206 40.5888 176.3765 88 L 4.0606 8.0075 118.3895 56.3013 40.0096 175.1375 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 4 A 8.26 4.32 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 5 L 8.57 4.14 0.00 1.70 1.60 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 T 9.42 4.29 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 7 A 8.48 4.00 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 8 E 8.16 3.95 0.00 2.08 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 2.41 2.48 0.00 9 E 8.27 4.04 0.00 2.19 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 0.00 2.35 2.37 0.00 10 I 7.97 3.77 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.97 0.96 0.00 0.00 11 I 8.00 3.74 1.90 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 1.42 1.51 1.03 0.00 0.00 12 Q 8.24 3.95 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 13 Y 8.25 4.03 0.00 3.19 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 14 I 8.19 3.62 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.78 0.93 0.00 0.00 15 S 8.12 4.10 0.00 3.98 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 16 D 7.96 4.45 0.00 2.65 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 17 A 8.05 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.02 4.06 0.00 1.91 2.02 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.43 7.81 19 K 7.88 3.84 0.00 0.99 1.40 0.00 1.74 0.00 0.00 1.52 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.33 7.81 20 F 7.60 4.69 0.00 3.24 3.18 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 21 T 9.37 5.28 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 22 P 0.00 5.00 0.00 2.12 2.11 0.00 4.10 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 23 I 9.08 4.85 1.81 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.92 0.00 0.00 24 K 8.80 4.43 0.00 1.21 1.31 0.00 1.64 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.60 0.21 7.81 25 V 8.07 4.44 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 0.25 0.00 0.00 -0.41 0.00 0.00 26 Y 9.02 4.83 0.00 2.86 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 27 L 8.95 5.42 0.00 1.64 1.65 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 28 N 10.25 5.56 0.00 2.89 2.84 0.00 0.00 6.60 7.90 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 29 G 7.89 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 30 N 7.98 5.20 0.00 2.62 2.59 0.00 0.00 6.92 7.42 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 31 F 8.75 4.95 0.00 3.25 3.29 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 32 E 8.67 4.20 0.00 2.10 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 2.40 2.33 0.00 33 G 8.71 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 0.00 0.00 0.00 34 I 7.63 4.01 1.50 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.73 0.02 0.00 0.00 35 T 7.63 4.39 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 1.21 0.00 0.00 36 Y 8.08 4.31 0.00 2.89 2.48 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 37 P 0.00 4.30 0.00 1.80 1.90 0.00 2.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.93 0.00 38 E 8.79 3.99 0.00 1.93 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 0.00 2.32 2.40 0.00 39 S 8.17 4.41 0.00 4.20 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 40 F 8.29 4.74 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 41 K 9.29 4.30 0.00 1.72 1.69 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.75 1.10 7.81 42 V 7.94 4.25 1.61 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 0.43 0.00 0.00 0.08 0.00 0.00 43 F 9.18 4.59 0.00 3.09 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 44 G 8.35 3.70 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 0.00 0.00 0.00 45 S 8.49 4.93 0.00 3.97 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 46 E 9.01 4.08 0.00 2.01 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 2.42 2.44 0.00 47 Q 8.04 5.05 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 48 S 7.90 5.17 0.00 4.01 3.70 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 49 K 9.23 4.97 0.00 1.27 1.37 0.00 1.42 0.00 0.00 1.29 0.00 0.00 2.17 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.47 7.81 50 V 8.49 4.28 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 0.02 0.00 0.00 0.42 0.00 0.00 51 I 8.29 4.82 1.40 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.45 0.23 0.00 0.00 52 F 9.14 4.89 0.00 2.98 2.95 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 53 C 8.36 5.17 0.00 2.74 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 0.00 0.00 0.00 0.00 54 E 8.84 4.74 0.00 2.39 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 2.45 2.60 0.00 55 A 9.12 4.18 1.40 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 0.00 0.00 56 D 8.22 4.48 0.00 2.76 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 57 D 8.30 4.74 0.00 3.23 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 58 W 8.51 4.62 0.00 3.52 3.38 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 59 K 8.24 3.97 0.00 2.06 1.92 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.56 7.81 60 P 0.00 4.31 0.00 2.34 2.32 0.00 3.97 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 2.31 2.09 0.00 61 F 8.02 4.12 0.00 3.32 3.38 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 62 Y 7.92 3.85 0.00 2.15 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 63 E 7.81 3.72 0.00 2.07 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 2.36 2.50 0.00 64 A 7.40 3.76 0.76 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 0.00 0.00 65 Y 7.34 4.22 0.00 2.23 2.23 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 66 G 7.52 2.98 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 0.00 0.00 0.00 67 S 7.48 4.24 0.00 3.88 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 68 Q 7.47 4.30 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.82 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 69 F 7.36 5.53 0.00 3.33 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 70 E 9.48 4.74 0.00 1.89 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 2.32 2.46 0.00 71 D 8.10 5.03 0.00 2.63 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 72 I 8.31 5.29 2.09 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 1.32 0.87 1.02 0.00 0.00 73 E 9.29 4.78 0.00 1.80 1.65 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 2.14 2.21 0.00 74 I 8.35 4.77 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.43 0.70 0.00 0.00 75 E 8.82 4.50 0.00 1.76 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 2.14 2.17 0.00 *77 D 8.69 4.57 0.00 2.69 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 78 R 8.47 4.07 0.00 1.92 1.98 0.00 3.19 0.00 0.00 3.33 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 79 R 8.76 4.11 0.00 1.99 2.04 0.00 3.15 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 80 N 8.42 4.48 0.00 2.91 2.90 0.00 0.00 6.33 6.87 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 81 S 8.20 4.81 0.00 3.95 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 82 A 7.66 4.49 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 83 I 7.95 4.45 1.85 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 1.60 0.80 0.82 0.00 0.00 84 P 0.00 4.25 0.00 2.20 1.79 0.00 2.88 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.00 85 L 8.30 4.11 0.00 1.56 1.68 0.89 0.51 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 86 K 7.38 4.57 0.00 1.81 1.69 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.38 7.81 87 D 8.30 4.69 0.00 2.80 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 88 L 8.01 4.06 0.00 1.71 1.58 0.91 0.47 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 * Residues marked with a * may have inaccurate shift predictions.