NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3211 8.2493 123.5861 52.3899 20.0961 175.9773 2 S 4.5667 8.1061 113.5010 57.3913 65.9424 171.2361 3 I 4.6317 8.2715 121.4150 59.5878 39.3994 176.6193 4 K 4.3634 9.0544 130.2480 55.5496 33.4516 175.1128 5 E 5.1102 8.7553 126.9739 55.1717 31.1563 175.2043 6 N 4.9552 9.0356 120.4482 51.4646 42.9776 173.2959 7 S 5.0013 8.0817 115.5128 56.7811 66.0736 172.1718 8 Y 4.6162 8.9102 122.5402 55.9937 42.8966 174.6925 9 F 3.6691 8.9170 116.1286 59.1831 36.4643 175.9409 10 A 3.7385 9.2213 115.1234 53.3234 16.2012 178.9160 11 G 4.0957 8.2961 106.4939 46.5825 0.0000 175.9295 12 G 3.8839 8.0824 109.1735 47.6634 0.0000 174.5286 13 V 4.8198 7.8624 119.3242 61.1023 34.8902 174.5821 14 K 5.4105 9.2427 126.4157 54.8346 36.5119 175.3465 15 S 5.1988 9.2377 116.5291 56.8448 67.4855 172.7551 16 L 5.1967 9.3602 120.7413 53.2029 44.5892 175.9801 17 G 4.7118 9.2135 112.1980 44.9438 0.0000 171.9857 18 F 5.2485 8.6253 115.2776 56.0587 41.6351 172.7131 19 N 5.0546 8.8530 117.5932 52.1280 39.9819 174.8363 20 Q 4.2799 8.8580 123.1096 55.4058 31.5990 175.2135 21 H 4.0213 9.7260 123.4220 57.1944 28.1919 173.2204 22 G 4.3260 8.8989 107.8711 46.2278 0.0000 173.9936 23 Q 4.5321 7.7094 118.3372 54.0346 30.2781 174.6016 24 D 4.9142 8.4930 122.3858 54.0252 41.8853 175.8940 25 V 4.6686 8.2125 123.0456 61.1269 35.6247 174.1148 26 S 5.1644 8.7956 118.5447 56.8517 66.7940 173.1465 27 V 4.5659 8.5314 114.9043 60.1023 35.1056 175.0403 28 G 3.9419 7.3441 108.9184 46.0047 0.0000 170.8736 29 V 5.6636 8.3478 118.6808 60.1321 35.2751 174.5016 *31 L 4.4445 8.3665 118.9207 53.6585 42.5738 175.0076 32 P 4.3751 0.0000 0.0000 62.2035 31.9098 177.0605 33 G 3.5788 7.1514 108.7318 45.5639 0.0000 169.9240 34 E 4.8289 7.2767 119.1393 54.4920 32.4837 175.4793 35 Y 4.3491 8.8484 122.8627 56.3993 42.7673 174.0330 36 T 4.7987 7.9856 118.1793 61.7072 71.2813 173.5385 37 F 4.8207 8.7171 124.4220 55.5293 42.6024 174.3909 38 G 4.5881 8.8362 109.4374 44.9327 0.0000 172.7574 39 T 4.6176 9.5342 113.7988 60.3127 71.4120 172.5283 40 Q 4.6408 8.9374 118.8466 57.5605 30.4483 175.2760 41 A 4.5392 8.0147 122.4838 50.1436 19.6774 175.6509 42 P 4.6655 0.0000 0.0000 62.9627 32.9094 175.3340 43 E 4.6471 8.9081 120.0870 54.6695 33.9220 174.8980 44 R 4.9226 8.2225 122.0561 53.6115 34.3409 174.0910 *46 T 4.3370 8.1400 115.5125 63.2114 70.3919 173.7211 47 V 4.1967 8.7294 126.9685 62.9073 32.0487 176.6457 48 V 3.7242 8.8328 129.1470 65.3644 32.2812 176.5259 49 K 4.3049 8.0521 122.3076 55.9090 34.5465 172.0000 50 G 4.1114 8.1733 115.4182 43.9020 0.0000 172.4453 51 A 4.9358 8.7220 124.8365 50.9137 22.7224 175.9074 52 L 4.8939 9.1693 121.0445 52.9096 45.6133 175.6868 53 V 4.8179 8.8044 123.3546 61.3572 33.4682 174.4295 54 V 5.1189 9.1242 128.4091 61.0094 34.6236 174.1805 55 K 4.4195 8.7140 127.7648 54.5539 34.8681 175.5994 56 R 4.6250 9.5157 127.2688 55.4965 31.1057 178.4303 57 V 3.5063 8.0648 114.9374 63.0442 31.7553 177.6421 58 G 4.1008 8.2514 107.1402 45.3734 0.0000 173.9061 59 E 3.9507 7.6648 118.5918 56.4379 29.9065 177.1289 60 A 4.1111 8.5207 125.7039 53.9684 19.0548 177.2711 61 D 5.0559 7.6133 113.2616 52.2594 43.8915 175.3397 62 W 4.8722 8.5258 120.4874 56.1616 30.9838 176.0501 63 T 4.5723 8.9430 119.4974 62.0783 71.6018 173.0679 64 T 4.7668 8.4235 123.1637 62.9195 69.7812 173.6213 65 Y 4.8417 9.1450 124.6843 56.4765 40.8399 175.6262 66 S 5.3988 9.1244 119.9334 56.1777 66.7635 173.5354 67 S 4.3446 7.9413 115.5973 61.0931 62.7303 175.6870 68 G 4.0303 9.4245 114.4322 45.2313 0.0000 173.4152 69 E 4.5410 8.2297 119.5473 55.6134 30.7022 175.6112 70 S 4.9484 8.3832 116.7003 56.7217 66.8765 173.5556 71 F 4.7690 7.2514 115.5667 55.3064 40.5810 172.9395 72 D 4.9772 8.4441 121.9476 52.9666 43.0908 176.3309 73 V 4.3494 8.2945 115.6717 59.1090 34.0840 175.2845 74 E 4.2358 9.0894 124.2279 56.7035 30.0793 177.0312 75 G 3.8631 8.5472 107.9236 45.1119 0.0000 172.2281 76 N 4.3197 8.6924 115.8070 54.0069 38.0289 172.6868 77 S 4.7236 8.0253 111.7596 58.0946 66.3454 172.2825 78 S 5.3339 8.6785 111.7308 57.9901 66.4420 172.8068 79 F 5.3168 9.2111 114.5072 55.8552 41.4624 173.0467 80 E 5.1353 9.3441 120.4847 55.0254 32.1421 174.9474 81 L 5.7175 9.1771 122.3549 53.3284 45.7308 175.3724 82 Q 4.8573 9.5052 122.8636 54.2268 31.3032 174.6622 83 V 4.5391 8.7576 124.1919 61.3818 33.1936 176.2782 84 K 4.1790 8.8923 127.6711 58.1435 32.8380 176.8203 85 D 5.0023 7.6887 115.5713 51.7863 44.9293 175.6163 86 A 4.1802 8.8504 123.0984 53.3903 18.9192 177.1414 87 T 4.9505 8.5817 117.2573 61.8146 73.2274 172.8125 88 A 5.1483 8.9963 127.6567 51.0948 21.2722 175.6554 89 Y 5.4233 8.6138 118.2132 55.4086 42.3406 173.5523 90 L 5.1314 9.1119 121.7418 53.3344 45.2507 175.0646 91 C 4.8854 9.2371 125.6073 57.6657 34.6528 172.5403 92 E 4.7294 8.8261 124.5337 54.8982 32.9706 176.0786 93 Y 4.2754 8.3461 118.6752 58.5156 39.4365 176.9132 94 L 4.1223 8.0112 123.6203 54.5450 40.8200 181.6124 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 A 8.25 4.32 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 2 S 8.11 4.57 0.00 4.04 3.86 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 3 I 8.27 4.63 1.87 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 1.20 0.63 0.93 0.00 0.00 4 K 9.05 4.36 0.00 1.87 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.43 7.81 5 E 8.76 5.11 0.00 1.87 1.84 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 2.24 2.33 0.00 6 N 9.04 4.96 0.00 2.69 2.00 0.00 0.00 6.09 7.05 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 7 S 8.08 5.00 0.00 3.78 3.52 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 8 Y 8.91 4.62 0.00 2.94 2.40 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 9 F 8.92 3.67 0.00 3.44 3.25 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 10 A 9.22 3.74 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 11 G 8.30 4.10 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 0.00 0.00 0.00 12 G 8.08 3.88 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 0.00 13 V 7.86 4.82 2.43 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 1.17 0.00 0.00 0.55 0.00 0.00 14 K 9.24 5.41 0.00 1.78 1.67 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.42 7.81 15 S 9.24 5.20 0.00 3.96 4.18 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 16 L 9.36 5.20 0.00 1.56 1.63 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.21 4.71 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 0.00 0.00 0.00 18 F 8.63 5.25 0.00 3.05 3.07 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 19 N 8.85 5.05 0.00 2.77 2.79 0.00 0.00 6.63 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.86 4.28 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 5.73 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 21 H 9.73 4.02 0.00 3.28 3.29 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.90 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.71 4.53 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 24 D 8.49 4.91 0.00 2.72 2.62 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 25 V 8.21 4.67 0.68 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 0.84 0.00 0.00 0.71 0.00 0.00 26 S 8.80 5.16 0.00 4.01 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 27 V 8.53 4.57 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 0.74 0.00 0.00 0.96 0.00 0.00 28 G 7.34 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 0.00 0.00 0.00 29 V 8.35 5.66 2.15 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 1.45 0.00 0.00 0.95 0.00 0.00 *31 L 8.37 4.44 0.00 1.86 1.74 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.38 0.00 2.05 2.02 0.00 3.90 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 2.07 2.15 0.00 33 G 7.15 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.28 4.83 0.00 1.68 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.38 0.00 35 Y 8.85 4.35 0.00 2.49 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.99 4.80 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 37 F 8.72 4.82 0.00 1.59 2.56 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 0.00 0.00 0.00 0.00 38 G 8.84 4.59 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 39 T 9.53 4.62 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 40 Q 8.94 4.64 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 41 A 8.01 4.54 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 42 P 0.00 4.67 0.00 2.08 1.97 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 43 E 8.91 4.65 0.00 1.69 1.47 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 1.86 2.29 0.00 44 R 8.22 4.92 0.00 1.64 1.54 0.00 3.04 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.26 0.00 *46 T 8.14 4.34 4.18 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 1.24 0.00 0.00 47 V 8.73 4.20 2.39 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 0.97 0.00 0.00 1.23 0.00 0.00 48 V 8.83 3.72 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 0.76 0.00 0.00 0.90 0.00 0.00 49 K 8.05 4.30 0.00 1.90 1.63 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 50 G 8.17 4.11 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 0.00 51 A 8.72 4.94 1.28 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 0.00 0.00 0.00 52 L 9.17 4.89 0.00 1.81 1.73 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.80 4.82 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 0.93 0.00 0.00 0.92 0.00 0.00 54 V 9.12 5.12 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 0.75 0.00 0.00 0.18 0.00 0.00 55 K 8.71 4.42 0.00 0.79 0.74 0.00 0.99 0.00 0.00 1.33 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 1.00 7.81 56 R 9.52 4.63 0.00 1.83 1.84 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 57 V 8.06 3.51 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 0.65 0.00 0.00 1.05 0.00 0.00 58 G 8.25 4.10 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 0.00 0.00 0.00 59 E 7.66 3.95 0.00 1.98 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 2.28 0.00 60 A 8.52 4.11 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 61 D 7.61 5.06 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.53 4.87 0.00 3.15 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 63 T 8.94 4.57 4.15 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 0.67 0.00 0.00 64 T 8.42 4.77 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 1.21 0.00 0.00 65 Y 9.14 4.84 0.00 3.07 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 66 S 9.12 5.40 0.00 3.81 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 67 S 7.94 4.34 0.00 3.93 4.04 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 68 G 9.42 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 69 E 8.23 4.54 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 2.40 2.47 0.00 70 S 8.38 4.95 0.00 3.74 3.54 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 0.00 0.00 0.00 0.00 71 F 7.25 4.77 0.00 2.70 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 0.00 0.00 0.00 72 D 8.44 4.98 0.00 2.53 2.54 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 0.00 0.00 0.00 0.00 73 V 8.29 4.35 1.85 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 0.21 0.00 0.00 0.70 0.00 0.00 74 E 9.09 4.24 0.00 1.97 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 2.30 2.38 0.00 75 G 8.55 3.86 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 0.00 0.00 0.00 76 N 8.69 4.32 0.00 2.81 2.88 0.00 0.00 6.92 7.38 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 77 S 8.03 4.72 0.00 4.13 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 78 S 8.68 5.33 0.00 4.03 3.95 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 79 F 9.21 5.32 0.00 3.10 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 80 E 9.34 5.14 0.00 1.82 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 0.00 2.25 2.24 0.00 81 L 9.18 5.72 0.00 1.91 1.81 1.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.51 4.86 0.00 1.64 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 1.94 1.47 0.00 83 V 8.76 4.54 2.38 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 1.13 0.00 0.00 1.19 0.00 0.00 84 K 8.89 4.18 0.00 1.78 1.82 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.39 7.81 85 D 7.69 5.00 0.00 2.53 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.18 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 87 T 8.58 4.95 4.37 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 1.44 0.00 0.00 88 A 9.00 5.15 1.24 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 89 Y 8.61 5.42 0.00 3.05 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 90 L 9.11 5.13 0.00 1.52 1.49 0.99 0.83 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 91 C 9.24 4.89 0.00 3.07 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 92 E 8.83 4.73 0.00 1.69 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 93 Y 8.35 4.28 0.00 3.03 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 94 L 8.01 4.12 0.00 1.66 1.48 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.