NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8720 8.2127 109.7183 45.5868 0.0000 176.7132 0 H 4.1403 8.9344 119.8492 58.6732 29.3057 176.4790 2 S 3.1014 8.2348 112.0848 60.2098 64.1289 173.9305 3 L 3.1306 6.9885 124.7128 58.0578 41.6376 178.9674 4 E 3.8566 8.0159 118.4562 59.2584 29.3445 178.8860 5 E 3.9677 8.0155 118.8263 59.1657 29.7436 178.8057 6 W 4.3269 8.1639 118.8994 59.9328 29.0510 178.5147 7 I 3.7784 8.1723 120.0635 64.2259 36.5216 178.3214 8 K 3.8797 8.3005 120.2128 59.5369 32.0706 178.6845 9 A 3.9949 8.0627 121.0035 55.1548 18.2156 179.0117 10 D 4.2753 8.6328 117.0075 57.5733 41.2683 178.4099 11 S 4.0189 8.3458 113.8226 61.4769 62.3738 176.2269 12 L 3.9913 7.9588 121.6957 57.4736 41.3144 179.0585 13 E 3.9284 8.2612 119.3375 59.4403 29.6965 179.1960 14 K 4.3539 8.6329 119.6379 58.4080 31.9289 179.3751 15 A 3.8258 8.0660 121.5501 55.2483 18.2561 179.3384 16 D 4.4289 8.2876 117.4260 57.5214 40.9715 178.9500 17 E 4.0721 8.3063 119.0750 59.7137 29.4529 178.9334 18 Y 4.4848 8.4230 116.6994 61.6240 37.9490 178.4483 19 H 4.3031 8.7150 117.3877 58.7946 28.8368 177.6384 20 K 4.0161 8.5011 121.5102 59.7299 32.0227 179.1109 21 R 3.9952 8.1287 118.0035 59.3519 30.0482 178.4034 22 Y 4.2834 8.4005 120.8452 60.4253 38.3562 177.8028 23 N 4.3929 8.9434 117.8482 56.4596 38.3985 176.8030 24 Y 4.2183 8.0021 119.8687 60.6129 38.9851 177.5317 25 A 3.7944 7.5634 120.5668 54.9412 18.6115 179.3754 26 V 3.7230 7.2354 108.0732 61.9732 32.6713 177.2064 27 T 4.5482 7.0603 110.2965 59.5700 68.5408 174.9127 28 N 4.7920 7.0745 119.2259 51.4509 42.3767 172.8322 29 P 4.2355 0.0000 0.0000 65.6032 31.3674 178.8394 30 V 3.4932 7.8987 118.4376 65.9854 31.3688 178.1754 31 R 3.7263 7.9560 117.2928 59.1944 29.8759 179.0560 32 R 3.8215 7.9480 117.9423 59.1049 29.8222 179.0471 33 K 3.9311 7.8638 118.3559 59.3303 32.2503 178.5045 34 I 3.8031 7.6639 119.4594 64.4487 37.3496 177.8773 35 L 4.1742 8.0010 119.7137 57.8867 41.2935 180.6123 36 R 4.1098 7.7241 114.1770 57.0062 29.6367 178.5001 *38 L 4.2913 7.8419 120.9976 54.9328 43.5210 178.8082 39 D 4.3039 8.1670 116.5918 56.8124 41.1550 176.8486 40 K 4.2492 7.7893 116.3678 56.0973 32.2445 177.2487 41 G 3.9283 8.2651 107.3567 45.7182 0.0000 174.3170 42 R 4.2579 7.6911 117.8475 55.5789 30.9187 177.3862 43 S 4.4793 8.9886 116.8944 57.9690 65.1049 175.3448 44 E 4.0194 8.7233 122.3558 59.7457 29.2573 179.2402 45 E 4.1370 8.0893 117.2571 59.5410 29.8463 178.7648 46 E 4.3255 8.3952 118.6337 59.2540 29.3596 179.8117 47 I 3.9813 7.7579 117.6264 61.7109 36.4236 177.9701 *49 Q 4.2536 8.0220 119.7015 56.6548 30.2883 177.5238 50 T 3.8773 8.2660 114.8195 65.6735 68.4620 175.2783 51 L 4.3216 8.1235 118.3527 53.6360 42.4376 176.2173 52 S 3.6693 7.4006 111.8650 59.6271 60.9896 171.8264 53 L 4.9707 7.3638 118.4894 52.6552 44.6974 178.0061 54 S 4.4221 8.9001 117.9891 57.8046 65.1747 175.5119 55 K 3.9177 8.5035 122.8353 59.4124 31.8989 178.6552 56 K 3.9293 8.0266 119.4715 59.7253 32.1986 178.6690 57 Q 3.9743 8.2705 118.3283 58.7918 28.5598 178.4593 58 L 3.9996 8.2736 121.7042 58.3274 42.0879 178.6559 59 D 4.3600 8.6605 119.2251 57.5123 40.7355 178.3110 60 Y 3.7217 8.0409 119.9644 60.9234 38.7522 177.5575 61 H 4.1505 8.2367 117.1194 59.0295 28.7267 177.7851 62 L 3.5222 8.1023 121.0011 57.2214 41.2132 179.2934 63 K 3.5637 7.9347 119.9680 59.4926 32.0876 178.9699 64 V 3.3893 7.3570 118.1977 65.9412 31.3713 177.9959 65 L 3.7927 7.8706 119.0490 57.5337 41.3846 179.1475 66 E 3.9774 8.3180 120.7437 58.7024 29.3808 178.8060 67 A 3.8372 7.9197 119.8043 53.9983 18.3384 178.7682 68 G 3.7394 7.3294 102.9011 43.9696 0.0000 174.4625 69 F 4.0350 6.7896 116.4656 58.3946 37.1307 175.8402 70 C 4.7213 8.2676 121.1592 61.1714 29.2090 173.5902 71 I 5.3031 7.5796 110.8014 59.2750 41.1852 174.1238 72 E 5.1153 9.3599 122.1821 54.6405 34.0490 174.7416 73 R 4.1777 8.7396 123.5346 55.8543 31.2346 175.8592 74 V 4.1809 8.7686 126.2321 61.5003 34.0954 176.3221 75 G 3.7289 8.1910 119.3034 46.9592 0.0000 174.3449 76 E 4.0729 8.9410 122.7521 56.3889 30.3078 175.5819 77 R 4.5549 7.6346 121.4374 54.3520 32.6791 174.6720 78 W 5.0496 8.6985 126.0283 56.2301 30.0792 175.6098 79 V 4.4609 9.1072 125.8052 60.9294 33.4641 174.7769 80 V 4.3611 8.4425 128.2878 62.9523 32.2588 175.8583 81 T 4.3782 8.7340 118.6635 61.0023 70.2984 175.5083 82 D 4.4181 8.8611 120.9389 57.4404 40.4570 178.9234 83 A 4.1994 7.6967 119.5658 54.6832 18.4755 178.9634 84 G 4.1569 7.9253 101.4779 44.3071 0.0000 174.0493 85 K 4.3678 7.5807 121.1073 55.2773 31.6188 176.8915 86 I 4.1197 8.1489 123.8293 61.2667 37.4356 176.0310 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 -1 G 8.21 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 0 H 8.93 4.14 0.00 3.19 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.23 3.10 0.00 3.72 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 3 L 6.99 3.13 0.00 1.37 1.47 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.02 3.86 0.00 1.93 1.94 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 2.37 2.44 0.00 5 E 8.02 3.97 0.00 2.06 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 0.00 2.57 2.49 0.00 6 W 8.16 4.33 0.00 3.52 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 7 I 8.17 3.78 1.99 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 1.44 0.90 0.91 0.00 0.00 8 K 8.30 3.88 0.00 1.95 2.03 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 9 A 8.06 3.99 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 10 D 8.63 4.28 0.00 2.86 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 11 S 8.35 4.02 0.00 3.89 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 12 L 7.96 3.99 0.00 1.90 1.70 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.26 3.93 0.00 2.12 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 0.00 2.32 2.37 0.00 14 K 8.63 4.35 0.00 1.72 1.71 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.31 7.81 15 A 8.07 3.83 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 16 D 8.29 4.43 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 17 E 8.31 4.07 0.00 2.42 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 0.00 2.41 2.59 0.00 18 Y 8.42 4.48 0.00 3.08 2.90 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 19 H 8.72 4.30 0.00 3.43 3.46 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.50 4.02 0.00 2.05 2.08 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 21 R 8.13 4.00 0.00 2.19 2.00 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 22 Y 8.40 4.28 0.00 3.28 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 23 N 8.94 4.39 0.00 3.04 2.95 0.00 0.00 6.72 7.46 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 24 Y 8.00 4.22 0.00 2.96 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 25 A 7.56 3.79 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 26 V 7.24 3.72 1.86 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 0.12 0.00 0.00 0.70 0.00 0.00 27 T 7.06 4.55 4.22 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 1.23 0.00 0.00 28 N 7.07 4.79 0.00 2.48 2.45 0.00 0.00 6.81 7.71 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 29 P 0.00 4.24 0.00 2.26 2.25 0.00 3.69 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 2.03 1.98 0.00 30 V 7.90 3.49 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 0.97 0.00 0.00 0.89 0.00 0.00 31 R 7.96 3.73 0.00 1.84 1.78 0.00 2.98 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 32 R 7.95 3.82 0.00 1.94 1.93 0.00 3.08 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 33 K 7.86 3.93 0.00 1.70 1.93 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.49 7.81 34 I 7.66 3.80 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.83 0.00 0.00 35 L 8.00 4.17 0.00 1.80 1.82 0.90 1.14 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 36 R 7.72 4.11 0.00 2.00 1.93 0.00 3.15 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 *38 L 7.84 4.29 0.00 1.75 1.80 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.17 4.30 0.00 2.84 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 40 K 7.79 4.25 0.00 1.75 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 41 G 8.27 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 42 R 7.69 4.26 0.00 1.83 1.89 0.00 3.38 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 43 S 8.99 4.48 0.00 4.21 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 44 E 8.72 4.02 0.00 2.02 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 0.00 2.42 2.52 0.00 45 E 8.09 4.14 0.00 1.93 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 2.33 2.48 0.00 46 E 8.40 4.33 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 47 I 7.76 3.98 2.02 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 1.58 0.78 0.90 0.00 0.00 *49 Q 8.02 4.25 0.00 2.26 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 50 T 8.27 3.88 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 1.20 0.00 0.00 51 L 8.12 4.32 0.00 1.68 1.67 0.88 1.07 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 52 S 7.40 3.67 0.00 3.97 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 53 L 7.36 4.97 0.00 1.65 1.55 0.93 1.01 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 54 S 8.90 4.42 0.00 4.05 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 55 K 8.50 3.92 0.00 1.86 1.87 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.54 7.81 56 K 8.03 3.93 0.00 1.87 1.80 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 57 Q 8.27 3.97 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 58 L 8.27 4.00 0.00 1.76 1.68 0.90 1.40 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 59 D 8.66 4.36 0.00 2.93 2.75 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 60 Y 8.04 3.72 0.00 3.21 2.97 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 61 H 8.24 4.15 0.00 3.33 3.21 0.00 5.67 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 62 L 8.10 3.52 0.00 1.46 0.73 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.93 3.56 0.00 1.60 1.57 0.00 1.36 0.00 0.00 0.70 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.09 1.25 7.81 64 V 7.36 3.39 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 0.80 0.00 0.00 0.87 0.00 0.00 65 L 7.87 3.79 0.00 1.53 1.48 0.73 0.79 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 66 E 8.32 3.98 0.00 1.57 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 2.26 2.31 0.00 67 A 7.92 3.84 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 68 G 7.33 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 69 F 6.79 4.04 0.00 3.37 3.20 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 70 C 8.27 4.72 0.00 2.94 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 71 I 7.58 5.30 2.08 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.87 0.00 0.00 72 E 9.36 5.12 0.00 1.98 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 0.00 2.35 2.36 0.00 73 R 8.74 4.18 0.00 0.96 1.56 0.00 2.31 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.00 74 V 8.77 4.18 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 0.90 0.00 0.00 0.93 0.00 0.00 75 G 8.19 3.73 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 0.00 0.00 0.00 76 E 8.94 4.07 0.00 2.01 2.01 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 2.19 2.19 0.00 77 R 7.63 4.55 0.00 1.87 1.90 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 78 W 8.70 5.05 0.00 3.22 3.05 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 0.00 0.00 0.00 0.00 79 V 9.11 4.46 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 1.06 0.00 0.00 0.96 0.00 0.00 80 V 8.44 4.36 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 0.96 0.00 0.00 1.03 0.00 0.00 81 T 8.73 4.38 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 1.34 0.00 0.00 82 D 8.86 4.42 0.00 2.73 2.78 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 83 A 7.70 4.20 1.44 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 84 G 7.93 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 0.00 0.00 0.00 0.00 85 K 7.58 4.37 0.00 1.88 1.83 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.67 7.81 86 I 8.15 4.12 1.88 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 1.35 0.64 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.