NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3213 8.3301 115.3992 58.5504 64.2056 172.9136 6 A 4.2933 8.2744 121.0756 51.5737 19.0350 175.6798 7 D 4.5029 7.7293 118.5039 54.2564 42.2527 174.9420 8 N 4.1259 8.7875 121.8942 54.8114 38.8748 174.0893 9 I 4.5044 7.6319 119.0866 59.6389 39.2726 174.2176 10 H 5.1237 9.2576 128.2838 53.9902 31.9445 173.3726 11 A 4.6231 8.7087 129.5419 51.9243 18.4294 177.3503 12 V 3.7719 8.1461 117.8058 63.8661 32.0884 176.1857 13 S 4.5325 7.2412 112.7127 56.6140 65.7384 174.6728 14 S 4.1303 8.5732 114.3457 60.7831 62.4857 174.8198 15 E 4.1829 7.6089 118.7841 54.9941 30.3451 175.1738 16 R 4.2508 6.5554 118.1599 54.5091 33.9098 173.6295 17 W 5.5481 8.8370 125.1968 54.9688 32.8897 174.5403 18 R 4.7777 9.2693 125.4059 55.1949 31.3790 174.8866 19 I 5.1178 9.1062 127.1538 59.4993 40.8195 174.7347 20 H 4.5967 9.2392 124.7787 55.7545 29.0806 176.7934 21 A 3.9338 9.2960 126.7168 55.0617 18.4046 178.7089 22 A 4.3003 7.8981 116.0196 53.0807 18.9806 177.7130 23 T 3.9566 7.8837 114.9082 63.3994 69.1811 173.8618 24 E 4.5083 8.6507 125.7987 56.0458 30.5757 177.9029 25 I 3.7813 8.7566 124.4450 64.8721 37.1439 178.7717 26 E 4.0697 8.1883 118.7551 59.4744 29.4306 178.9202 27 D 4.4734 8.1894 119.0241 57.0071 40.8406 178.7847 28 I 3.9231 7.8432 120.1867 64.5905 37.1873 177.9966 29 N 4.7129 8.2361 118.5984 56.1193 38.1355 177.6429 30 T 3.8555 7.7203 116.2135 66.5849 68.6122 176.2085 31 F 3.9379 7.9985 121.2162 60.5345 39.5231 176.3380 32 F 4.6379 8.2648 114.3318 56.2144 39.7765 176.6677 33 G 3.8451 8.0819 106.5695 46.1580 0.0000 173.9910 34 T 4.0777 7.4465 109.9159 60.9955 69.8651 173.6986 35 E 5.1381 7.6989 118.8611 55.9063 30.4526 176.3083 36 Y 4.5445 7.7916 115.4023 58.6285 38.9110 176.1566 37 S 4.6456 8.1655 114.9688 57.5268 65.3809 173.8701 38 S 4.7452 8.2833 120.2860 56.4467 65.3950 173.7302 39 E 4.1857 8.8509 125.1365 58.2391 29.5164 177.4198 40 E 4.5645 8.1278 112.8447 55.3288 31.0885 175.3385 41 A 4.7378 8.1231 122.6260 50.5228 21.5561 175.3916 42 D 4.8276 8.6096 119.0255 53.8413 43.3732 175.4561 43 T 5.0649 7.3326 108.2873 59.5976 73.0229 174.4570 44 I 3.5688 8.4562 121.5309 63.8918 37.8551 178.2324 45 G 3.6207 8.3253 107.1200 47.7498 0.0000 175.7777 46 G 3.5880 7.9661 108.3718 47.4004 0.0000 175.5271 47 L 3.8036 7.8532 122.7607 57.6828 41.9891 179.1251 48 V 3.3824 7.6788 118.3948 66.0798 31.3533 178.0725 49 I 3.7166 7.7682 119.5171 64.2374 36.6723 178.0720 50 Q 3.9002 7.9067 119.4870 59.4918 28.9753 178.1889 51 E 4.0968 8.0086 118.0367 59.1938 29.5802 178.9343 52 L 4.1797 8.0185 118.5188 55.6599 41.8642 178.3208 53 G 4.0062 10.0215 106.9149 45.2848 0.0000 172.2218 54 H 4.5526 7.1019 112.4433 54.2196 30.8105 173.0394 55 L 3.9637 8.3969 122.4584 54.2661 41.6454 174.8231 56 P 4.7147 0.0000 0.0000 62.2494 32.8026 175.5668 57 V 4.2952 8.5318 112.4299 59.0010 33.6101 175.7203 58 R 4.1380 8.3450 121.0456 58.6595 30.0068 176.3545 59 G 4.0706 9.0439 113.6797 45.2156 0.0000 173.8110 60 E 4.3540 8.0442 119.9001 56.2088 30.5021 176.2848 61 K 5.3311 8.5871 121.7430 55.2264 36.0495 175.7066 62 V 4.5592 8.8347 120.6783 60.3116 35.0792 173.6765 63 L 4.9794 8.6153 124.1484 53.6988 43.1956 176.1848 64 I 4.5115 8.7350 124.8345 60.1322 40.6932 175.0164 65 G 3.8460 8.7298 116.1542 47.3116 0.0000 173.7727 66 G 4.0728 8.6191 113.1628 45.0256 0.0000 171.8012 67 L 5.0064 7.8044 119.2525 52.4554 45.2804 175.1322 68 Q 4.8517 8.8926 124.4833 54.4473 31.2429 173.9674 69 F 5.0911 9.1992 125.4161 55.9791 41.5490 174.4609 70 T 5.0592 8.4188 119.7242 61.4036 71.7019 173.6897 71 V 3.9306 9.0569 126.5994 63.3664 31.8707 176.0456 72 A 4.4498 9.0461 130.3644 53.1656 20.7361 177.3331 73 R 4.6762 7.7463 114.9222 54.9020 33.4582 174.2879 74 A 4.9974 8.4722 127.3428 51.4098 21.9264 174.6279 75 D 4.7846 8.7561 118.3586 52.2536 42.2698 176.0163 76 N 4.5977 8.8314 115.1779 55.0491 38.5254 175.8201 77 R 4.3951 7.8253 117.6165 57.5505 31.4005 176.9253 78 R 4.5546 8.2885 115.1238 54.3541 34.2992 173.4202 79 L 4.5661 8.2411 122.7180 54.6648 42.6488 175.3079 80 H 4.8487 9.2218 123.2437 57.4243 31.0853 175.1342 81 T 5.1280 7.7026 112.7810 62.0416 72.9930 173.1314 82 L 5.4379 9.0917 125.2954 52.9224 46.0305 175.1605 *84 A 5.0952 8.7550 122.8433 53.4479 20.4651 176.2210 85 T 5.1821 7.8716 108.8034 60.0108 72.9597 173.0365 86 R 4.7277 8.8093 121.8548 55.6791 30.8677 177.1355 87 V 3.8352 8.6231 124.4238 61.7780 32.2048 176.4463 88 K 4.1783 8.4946 120.9276 57.0763 32.7400 176.0594 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 S 8.33 4.32 0.00 3.97 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 6 A 8.27 4.29 1.32 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 0.00 0.00 7 D 7.73 4.50 0.00 2.75 2.76 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 8 N 8.79 4.13 0.00 2.76 2.98 0.00 0.00 6.03 7.62 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 9 I 7.63 4.50 1.07 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.46 -0.28 0.00 0.00 10 H 9.26 5.12 0.00 3.24 3.35 0.00 5.77 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 11 A 8.71 4.62 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.15 3.77 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 0.76 0.00 0.00 0.87 0.00 0.00 13 S 7.24 4.53 0.00 3.84 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 14 S 8.57 4.13 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 15 E 7.61 4.18 0.00 1.78 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 2.16 2.19 0.00 16 R 6.56 4.25 0.00 1.49 1.41 0.00 2.93 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 17 W 8.84 5.55 0.00 3.56 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 18 R 9.27 4.78 0.00 1.95 1.92 0.00 3.10 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 19 I 9.11 5.12 2.04 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.99 0.00 0.00 20 H 9.24 4.60 0.00 3.07 3.24 0.00 5.64 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 21 A 9.30 3.93 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 22 A 7.90 4.30 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 23 T 7.88 3.96 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 24 E 8.65 4.51 0.00 2.25 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 2.40 2.33 0.00 25 I 8.76 3.78 1.90 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 1.49 0.96 1.02 0.00 0.00 26 E 8.19 4.07 0.00 2.07 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 2.42 2.49 0.00 27 D 8.19 4.47 0.00 2.86 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 28 I 7.84 3.92 2.28 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 1.90 1.02 1.36 0.00 0.00 29 N 8.24 4.71 0.00 2.96 2.94 0.00 0.00 6.58 6.33 0.00 0.00 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 T 7.72 3.86 4.40 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 1.20 0.00 0.00 31 F 8.00 3.94 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 32 F 8.26 4.64 0.00 3.15 2.93 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 33 G 8.08 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 34 T 7.45 4.08 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 0.90 0.00 0.00 35 E 7.70 5.14 0.00 1.87 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 2.16 2.23 0.00 36 Y 7.79 4.54 0.00 3.07 2.74 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 37 S 8.17 4.65 0.00 3.82 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 38 S 8.28 4.75 0.00 3.77 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 39 E 8.85 4.19 0.00 1.99 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 2.31 2.24 0.00 40 E 8.13 4.56 0.00 2.01 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 2.24 2.23 0.00 41 A 8.12 4.74 1.15 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 42 D 8.61 4.83 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 43 T 7.33 5.06 4.45 0.00 0.00 0.00 0.00 0.00 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 I 8.46 3.57 1.79 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.94 0.00 0.00 45 G 8.33 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 46 G 7.97 3.59 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 0.00 0.00 0.00 0.00 47 L 7.85 3.80 0.00 1.69 1.50 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.68 3.38 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 0.97 0.00 0.00 0.56 0.00 0.00 49 I 7.77 3.72 1.93 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 1.33 0.49 0.86 0.00 0.00 50 Q 7.91 3.90 0.00 1.98 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 51 E 8.01 4.10 0.00 1.90 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 0.00 2.39 2.38 0.00 52 L 8.02 4.18 0.00 1.55 1.57 0.85 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 G 10.02 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 54 H 7.10 4.55 0.00 3.22 3.22 0.00 5.53 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.40 3.96 0.00 1.59 1.65 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.71 0.00 2.18 1.92 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 57 V 8.53 4.30 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 0.77 0.00 0.00 0.99 0.00 0.00 58 R 8.35 4.14 0.00 1.78 1.87 0.00 3.24 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 59 G 9.04 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 60 E 8.04 4.35 0.00 1.97 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 2.35 2.47 0.00 61 K 8.59 5.33 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.41 7.81 62 V 8.83 4.56 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 0.93 0.00 0.00 0.94 0.00 0.00 63 L 8.62 4.98 0.00 1.58 1.68 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.73 4.51 1.91 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.35 0.75 0.00 0.00 65 G 8.73 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 66 G 8.62 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 67 L 7.80 5.01 0.00 1.45 0.72 0.07 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.89 4.85 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 69 F 9.20 5.09 0.00 2.97 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 70 T 8.42 5.06 4.28 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 1.30 0.00 0.00 71 V 9.06 3.93 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 1.04 0.00 0.00 0.96 0.00 0.00 72 A 9.05 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.75 4.68 0.00 1.86 1.75 0.00 3.19 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 74 A 8.47 5.00 1.22 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 75 D 8.76 4.78 0.00 2.85 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 76 N 8.83 4.60 0.00 2.74 2.90 0.00 0.00 6.72 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 77 R 7.83 4.40 0.00 1.92 1.96 0.00 3.29 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 78 R 8.29 4.55 0.00 1.56 1.50 0.00 3.10 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 79 L 8.24 4.57 0.00 1.57 1.49 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 80 H 9.22 4.85 0.00 3.25 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.70 5.13 4.28 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 1.31 0.00 0.00 82 L 9.09 5.44 0.00 1.70 1.70 0.81 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 *84 A 8.75 5.10 1.11 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 0.00 0.00 85 T 7.87 5.18 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 1.17 0.00 0.00 86 R 8.81 4.73 0.00 1.86 1.98 0.00 3.41 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 87 V 8.62 3.84 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 0.73 0.00 0.00 0.94 0.00 0.00 88 K 8.49 4.18 0.00 1.87 1.82 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.