NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6286 8.1476 118.3371 55.1169 33.8070 173.6110 2 V 4.0547 8.1514 119.3518 60.6301 33.1297 174.3638 3 K 5.3074 9.8831 126.0088 54.3210 35.8936 176.6440 4 I 4.8611 8.2060 121.1819 59.7295 39.4755 174.8719 5 R 5.1375 8.7704 123.5092 53.2716 33.5376 173.6816 6 L 5.0404 8.5353 117.6602 53.1905 43.7282 177.2203 7 A 4.4129 7.5628 123.7246 49.5827 18.0506 174.4822 8 R 2.7065 6.9344 118.1557 52.8964 31.0613 174.6094 9 F 4.8258 8.3140 127.7202 55.0096 42.1579 175.5452 10 G 3.7356 9.1483 115.0206 47.8542 0.0000 170.2516 11 S 4.9624 7.8438 118.2373 57.0187 65.6535 173.0797 12 K 4.1718 8.4483 121.7706 57.9919 32.7934 177.8136 13 H 4.1241 8.8562 119.8594 56.6095 27.0934 174.4605 14 N 5.0494 7.7232 116.3088 51.0432 38.5564 172.5378 15 P 4.4788 0.0000 0.0000 63.9431 32.3004 176.7410 16 H 4.8003 8.5367 120.4456 54.9180 31.8796 172.5988 17 Y 4.4732 8.9712 121.3732 57.2687 40.4507 174.9803 18 R 4.6930 8.3152 120.3929 54.2899 32.2808 174.2957 19 I 4.2830 8.0702 127.3024 61.5044 38.1921 175.9888 20 V 4.3810 7.5969 125.3264 61.5545 34.8878 170.6197 21 V 4.3040 7.4500 122.8235 61.1857 32.6810 174.8726 22 T 4.7595 8.6325 119.4327 60.1426 71.4541 172.3653 23 D 4.5260 8.7884 126.4354 54.1242 41.6916 176.1589 24 A 3.9060 8.5692 130.7685 55.8842 18.7620 178.8298 25 R 3.9722 8.0768 113.4336 59.5136 30.2212 177.3971 26 R 3.9117 7.1870 113.6492 55.7055 30.6354 175.4580 27 K 4.6240 8.0837 116.9259 54.7920 36.2648 177.1935 28 R 3.4813 9.0193 115.1162 60.4404 28.7330 178.1346 29 D 4.4762 9.3396 108.0679 54.9997 41.1124 177.2549 30 G 3.7764 8.2722 110.6458 45.1839 0.0000 173.1313 31 K 4.0136 8.4093 121.6425 55.4501 31.6430 176.5415 32 Y 4.5899 7.5344 124.7769 55.9128 39.5901 175.6841 33 I 3.8681 8.5590 121.5177 63.8282 37.8566 176.9412 34 E 5.0333 7.6844 118.8371 55.3674 32.5336 175.8462 35 K 4.3391 9.2896 128.5881 56.5312 32.6153 176.2048 36 I 4.5570 8.0877 115.2550 61.5891 40.8409 174.3883 37 G 4.2391 7.5493 107.4062 46.0908 0.0000 171.5253 38 Y 5.1965 7.3595 115.7368 55.4680 41.6321 173.9129 39 Y 5.2286 8.5400 121.0370 55.4826 37.9016 173.4014 40 D 4.4251 8.8559 120.3881 53.7913 42.3127 175.4910 41 P 3.9414 0.0000 0.0000 63.9781 31.4765 177.1432 42 R 4.2385 7.4230 116.0965 55.3461 30.7292 176.0527 43 K 3.8402 7.4855 117.0451 57.7496 30.1398 175.8371 44 T 4.4176 7.2865 108.9978 63.9349 68.6866 174.9726 45 T 4.6256 8.0067 116.1183 60.0717 70.8278 172.2352 46 P 4.4043 0.0000 0.0000 66.0498 31.6045 177.3724 47 D 4.8403 7.9178 119.2486 52.5302 40.6359 177.7185 48 W 4.5561 8.0736 116.0378 58.2719 28.5110 175.5406 49 L 4.6363 7.1374 121.4591 54.2122 43.7262 174.3113 50 K 4.4278 7.4164 127.7285 54.7466 35.4513 174.7667 51 V 4.1751 7.8188 122.4115 61.5993 34.5590 173.9418 52 D 4.7145 7.9782 126.4296 53.1201 39.9696 177.1549 53 V 3.5045 7.5582 118.5128 64.4971 31.9302 177.3512 54 E 3.8737 8.1963 115.9314 60.0729 29.5591 179.6901 55 R 4.1012 7.9660 116.4525 59.5151 30.3979 178.6962 56 A 4.1737 8.5886 120.8826 55.5401 18.1752 180.0497 57 R 3.7793 8.5540 116.8039 60.2118 29.9959 177.9905 58 Y 3.5692 7.9806 117.0579 61.1522 38.3973 178.2247 59 W 4.4985 8.1072 118.4145 60.2889 29.3413 178.5216 60 L 4.0022 7.6158 117.5049 58.8464 41.2778 178.7476 61 S 3.9751 8.3559 112.2179 61.6101 61.8434 176.7526 62 V 3.9434 7.5058 117.0627 60.8083 30.9878 173.3096 63 G 4.0250 8.7954 116.8090 44.1936 0.0000 174.9256 64 A 5.9400 7.8992 135.0000 52.3232 19.8323 174.7256 65 Q 4.1417 7.5777 120.8501 54.9549 29.7113 175.0871 66 P 5.1056 0.0000 0.0000 61.5679 33.5075 175.0458 67 T 4.1395 8.3128 115.1808 63.8056 69.2184 174.8530 68 D 4.4055 8.5819 120.8981 57.9675 40.9769 178.8452 69 T 3.9771 7.7601 106.4060 62.8110 68.5754 175.6298 70 A 4.0207 7.4829 125.7922 54.7725 18.3150 179.5189 71 R 4.2988 8.0409 113.2597 58.4243 29.4468 178.2678 72 R 4.1381 7.2795 117.7839 57.5615 30.1058 176.0911 73 L 4.6148 8.3773 116.7223 55.0870 43.9878 178.0596 74 L 4.0747 7.6630 117.9602 56.3040 42.9112 178.8315 75 R 4.2678 9.0462 119.8460 59.5694 30.1112 178.4296 76 Q 4.0026 8.1873 116.5837 58.5597 29.1230 176.3061 77 A 4.4257 7.4707 119.1941 51.0375 19.0027 177.6816 78 G 4.0020 7.7962 104.3407 47.8662 0.0000 173.2492 79 V 4.0884 8.0884 121.3125 63.5786 33.6924 176.6042 80 F 4.3972 8.0627 115.9099 58.1380 39.4264 176.5879 81 R 4.2460 7.7839 121.9678 55.9914 27.5351 176.3668 82 Q 4.2013 8.2113 121.3153 57.0886 30.3427 178.2815 83 E 3.8081 7.3969 116.6222 56.7188 27.1942 174.3208 *84 A 4.1104 8.8672 131.4998 53.3030 18.9361 177.2085 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 M 8.15 4.63 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 V 8.15 4.05 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 0.79 0.00 0.00 0.79 0.00 0.00 3 K 9.88 5.31 0.00 1.65 1.76 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.24 7.81 4 I 8.21 4.86 1.89 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 1.39 0.86 0.90 0.00 0.00 5 R 8.77 5.14 0.00 1.82 2.00 0.00 3.01 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 6 L 8.54 5.04 0.00 1.74 1.88 0.95 0.89 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 7 A 7.56 4.41 0.85 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 8 R 6.93 2.71 0.00 1.08 1.41 0.00 2.94 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.00 9 F 8.31 4.83 0.00 3.09 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 10 G 9.15 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 11 S 7.84 4.96 0.00 3.90 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 12 K 8.45 4.17 0.00 1.78 1.67 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.40 7.81 13 H 8.86 4.12 0.00 3.37 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.72 5.05 0.00 2.84 2.82 0.00 0.00 7.16 6.99 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 15 P 0.00 4.48 0.00 2.15 2.36 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 16 H 8.54 4.80 0.00 3.16 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.97 4.47 0.00 3.09 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 18 R 8.32 4.69 0.00 2.20 1.77 0.00 3.76 0.00 0.00 3.46 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.88 0.00 19 I 8.07 4.28 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.88 0.00 0.00 20 V 7.60 4.38 1.52 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 0.48 0.00 0.00 0.57 0.00 0.00 21 V 7.45 4.30 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 0.10 0.00 0.00 -0.09 0.00 0.00 22 T 8.63 4.76 4.26 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 1.18 0.00 0.00 23 D 8.79 4.53 0.00 2.69 2.51 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 24 A 8.57 3.91 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 25 R 8.08 3.97 0.00 2.02 2.04 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 26 R 7.19 3.91 0.00 1.84 1.96 0.00 3.12 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 27 K 8.08 4.62 0.00 1.84 1.79 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.41 7.81 28 R 9.02 3.48 0.00 1.87 1.68 0.00 3.15 0.00 0.00 3.30 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 29 D 9.34 4.48 0.00 2.76 2.82 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 30 G 8.27 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 31 K 8.41 4.01 0.00 1.67 1.71 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.23 7.81 32 Y 7.53 4.59 0.00 3.22 2.92 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 33 I 8.56 3.87 1.54 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.56 0.00 0.00 34 E 7.68 5.03 0.00 2.05 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 35 K 9.29 4.34 0.00 1.87 1.81 0.00 1.90 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.36 7.81 36 I 8.09 4.56 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.97 0.00 0.00 37 G 7.55 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 0.00 0.00 0.00 0.00 38 Y 7.36 5.20 0.00 3.27 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 39 Y 8.54 5.23 0.00 3.00 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 40 D 8.86 4.43 0.00 2.92 2.92 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 41 P 0.00 3.94 0.00 2.01 1.38 0.00 3.77 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 42 R 7.42 4.24 0.00 1.82 1.92 0.00 3.28 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 43 K 7.49 3.84 0.00 1.56 1.38 0.00 0.90 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 7.29 4.42 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 45 T 8.01 4.63 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 1.36 0.00 0.00 46 P 0.00 4.40 0.00 2.30 2.30 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 47 D 7.92 4.84 0.00 2.81 2.72 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 48 W 8.07 4.56 0.00 3.91 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 49 L 7.14 4.64 0.00 1.39 0.13 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.42 4.43 0.00 1.04 0.74 0.00 1.51 0.00 0.00 1.36 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 1.37 7.81 51 V 7.82 4.18 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 0.66 0.00 0.00 0.84 0.00 0.00 52 D 7.98 4.71 0.00 2.94 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 53 V 7.56 3.50 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 0.72 0.00 0.00 0.90 0.00 0.00 54 E 8.20 3.87 0.00 2.06 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 0.00 2.32 2.39 0.00 55 R 7.97 4.10 0.00 2.01 2.11 0.00 3.37 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.70 0.00 56 A 8.59 4.17 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 57 R 8.55 3.78 0.00 2.07 1.92 0.00 3.25 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 58 Y 7.98 3.57 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 59 W 8.11 4.50 0.00 3.54 3.35 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 60 L 7.62 4.00 0.00 1.75 1.75 0.75 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.36 3.98 0.00 3.66 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 62 V 7.51 3.94 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 0.59 0.00 0.00 1.16 0.00 0.00 63 G 8.80 4.03 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 0.00 0.00 0.00 64 A 7.90 5.94 1.52 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 65 Q 7.58 4.14 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 66 P 0.00 5.11 0.00 2.21 2.12 0.00 3.84 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 2.01 2.09 0.00 67 T 8.31 4.14 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 1.22 0.00 0.00 68 D 8.58 4.41 0.00 2.77 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 69 T 7.76 3.98 4.17 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 1.19 0.00 0.00 70 A 7.48 4.02 1.38 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 0.00 0.00 71 R 8.04 4.30 0.00 2.43 2.41 0.00 2.82 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 72 R 7.28 4.14 0.00 1.78 2.01 0.00 3.14 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 73 L 8.38 4.61 0.00 1.72 1.50 0.56 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.66 4.07 0.00 1.85 1.64 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 75 R 9.05 4.27 0.00 1.88 2.02 0.00 3.06 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 76 Q 8.19 4.00 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.23 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 77 A 7.47 4.43 1.27 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 78 G 7.80 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 0.00 0.00 0.00 79 V 8.09 4.09 1.56 0.00 0.00 0.00 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 0.93 0.00 0.00 80 F 8.06 4.40 0.00 3.06 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 81 R 7.78 4.25 0.00 1.89 1.86 0.00 3.20 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 82 Q 8.21 4.20 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 5.49 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 83 E 7.40 3.81 0.00 2.19 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 2.20 2.37 0.00 *84 A 8.87 4.11 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.