NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.8985 8.4104 110.3447 62.3730 70.2136 171.4426 4 A 3.9693 8.9736 125.6100 52.4202 16.9102 177.5307 5 Y 4.4481 8.6520 110.7007 58.1651 39.8822 174.3489 6 D 4.7134 7.9061 119.4822 54.8386 41.9686 178.1243 7 V 3.7515 7.7430 120.2375 65.3372 32.8921 175.5813 8 I 4.4218 7.6736 120.7569 60.5227 37.2607 175.4958 9 L 4.6805 8.7748 127.2544 56.1780 43.3902 176.7800 10 A 4.7348 7.7501 116.8897 50.4458 22.1649 174.3305 11 P 4.2876 0.0000 0.0000 62.6890 32.0053 175.9905 12 V 2.7567 7.8718 113.2477 61.0991 30.6719 175.7991 13 L 3.6830 7.9089 119.5732 54.5872 38.2006 174.1978 14 S 4.5209 6.0908 112.8906 55.5683 66.5121 175.6439 15 E 3.9533 8.9710 123.3853 59.8120 28.9309 179.6299 16 K 3.8180 7.5216 118.8113 58.9070 31.9305 178.4465 17 A 3.5271 7.4022 121.0059 55.4144 18.5582 179.0071 18 Y 2.6762 6.6639 114.0589 60.2747 38.0855 177.9980 19 A 4.0031 7.4745 122.2919 55.5370 18.4032 180.0783 20 G 3.4886 7.3997 102.4209 47.5662 0.0000 175.5468 21 F 4.0683 7.4228 119.1789 60.1303 38.9360 177.3001 22 A 4.1645 7.3541 118.6582 54.5315 18.5736 177.3290 23 E 4.5190 7.9275 116.1997 54.7146 31.8441 177.2460 24 G 4.2367 8.2652 105.6265 46.3108 0.0000 174.3244 25 K 4.9893 8.9310 122.9939 54.8698 31.4425 175.0565 26 Y 4.7346 9.0004 121.7402 56.3977 40.6263 174.2387 27 T 5.1204 8.2455 117.4461 60.3470 70.6645 172.4843 28 F 5.2056 9.4392 126.1530 55.1932 43.9156 174.1008 29 W 4.8714 9.5537 121.9762 57.0268 29.8477 176.2394 30 V 5.0811 8.9616 118.3468 59.2348 35.0124 174.8822 31 H 4.4967 9.1538 121.7940 56.5150 29.6940 174.7476 32 P 4.1976 0.0000 0.0000 65.9962 31.6114 177.3616 33 K 4.1894 7.5406 114.6386 56.1408 31.7916 176.8524 34 A 5.1378 8.3155 123.0790 51.6546 19.3269 178.4730 35 T 4.5144 8.2389 117.1033 62.0717 71.6565 176.6157 36 K 3.9683 8.3786 121.8364 60.1162 32.0637 179.6301 37 T 3.8354 7.8926 115.5503 66.4246 68.5122 176.0884 38 E 3.9020 8.1654 119.7377 60.0762 29.5839 179.3908 39 I 3.5731 8.0944 119.6750 64.0786 37.1831 177.8953 40 K 3.7143 8.4540 120.4372 60.1682 32.0721 178.5185 41 N 4.3022 8.2992 115.9982 56.0521 38.1807 177.4003 42 A 3.8069 7.7888 121.3308 55.0345 18.7423 179.5085 43 V 3.4440 7.9882 116.9957 66.1767 31.4573 177.6832 44 E 4.2440 8.3158 119.7844 58.9587 29.1128 179.0927 45 T 4.4834 7.5603 105.7601 61.9013 69.0037 174.9175 46 A 4.6338 8.2515 121.5613 52.2744 21.2493 177.4572 47 F 4.4854 8.1665 111.1122 56.0681 41.5425 174.9905 48 K 3.9840 7.5958 119.5871 57.9831 29.5268 174.0518 49 V 4.5313 7.2285 111.3169 59.3481 35.9535 174.6893 50 K 5.4022 8.5595 122.3790 54.4041 34.0684 175.0247 51 V 4.7424 8.5061 126.6113 61.5475 32.6077 175.2869 52 V 4.2722 9.1391 127.8105 63.2818 32.9279 175.0592 53 K 4.5612 7.5992 119.0953 56.0323 35.3875 173.9281 54 V 4.9477 8.2113 122.9703 61.4997 35.2254 173.9848 55 N 5.2098 9.1132 122.5126 51.8252 42.6605 173.6339 56 T 5.2429 8.1914 112.6628 60.0660 72.4436 172.9839 57 L 4.4548 7.9464 119.1902 55.5289 43.8843 173.9172 58 H 4.9885 9.0161 118.8367 55.4890 30.7504 175.2359 59 V 4.3285 9.3620 119.6315 61.0801 33.9323 174.3857 60 R 4.6766 8.3723 128.2901 56.2034 30.6995 175.6933 61 G 4.4900 8.5648 111.8392 44.3195 0.0000 173.6681 62 K 4.1745 8.7654 125.3997 56.7838 33.4209 176.2796 63 K 4.6286 8.6864 124.4341 56.0819 33.0203 176.1686 64 K 4.6416 8.1800 125.4251 54.8129 34.9220 175.8639 65 R 4.8413 8.3790 120.6817 54.3964 33.0570 174.3967 66 L 4.6361 8.3587 125.2844 54.0089 44.9605 175.7064 67 G 3.9202 8.6728 116.2049 46.8357 0.0000 174.2690 68 R 3.9757 8.0494 118.6654 56.6121 30.3599 176.5804 69 Y 4.3951 7.2134 118.2910 57.0647 36.9974 173.9989 70 L 4.5539 8.3471 127.2483 54.3556 43.0877 175.9534 71 G 4.2680 8.3290 110.9767 45.6063 0.0000 171.2954 72 K 5.0002 8.3548 117.5745 54.5403 35.9593 177.0018 73 R 4.4351 8.7370 122.5718 54.6806 31.6684 174.4093 74 P 4.5644 0.0000 0.0000 63.5507 31.9070 175.5190 75 D 4.9045 8.5531 120.8354 54.2469 42.6247 175.4813 76 R 4.9310 8.7582 119.4075 54.4867 35.3840 173.6898 77 K 5.1695 8.7107 121.0201 54.5195 35.2631 174.5925 78 K 5.1922 9.4640 125.9287 55.1183 35.3920 174.9574 79 A 4.9875 8.8909 125.5723 50.2505 22.6213 175.4667 80 I 4.9034 8.9048 119.6785 59.7065 41.1110 174.6629 81 V 4.7016 9.2126 123.8484 60.2718 34.1347 175.4886 82 Q 4.7077 9.0771 125.5736 54.3786 30.6149 174.6005 83 V 4.3197 9.3773 128.3735 62.2143 32.8100 175.0195 84 A 4.2551 9.1735 129.6734 51.5750 19.2601 175.1532 85 P 4.1463 0.0000 0.0000 64.1005 31.9324 175.6360 86 G 4.1952 8.8892 113.1344 46.1626 0.0000 174.3764 87 Q 4.2048 7.2343 116.5051 55.2243 29.3086 176.1780 88 K 4.2498 7.7194 114.4040 56.7302 34.1929 174.8795 89 I 4.0204 6.9445 122.7251 60.2681 36.9368 176.7026 90 E 4.0143 8.8596 126.4796 59.2734 29.7792 179.5768 91 A 4.0087 8.2457 120.6101 55.2937 18.4036 178.1685 92 L 4.5292 7.3845 111.7409 55.1810 41.5516 177.3810 93 E 4.1838 7.9436 116.7608 56.5265 29.5126 177.0807 94 G 3.6595 7.6688 109.4617 47.5385 0.0000 174.5885 *95 L 4.1219 7.6149 124.7465 53.6310 41.6291 178.8142 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 3 T 8.41 4.90 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 1.22 0.00 0.00 4 A 8.97 3.97 1.37 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 0.00 0.00 0.00 5 Y 8.65 4.45 0.00 2.96 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 6 D 7.91 4.71 0.00 2.72 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 7 V 7.74 3.75 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 0.96 0.00 0.00 0.91 0.00 0.00 8 I 7.67 4.42 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.27 0.77 0.00 0.00 9 L 8.77 4.68 0.00 1.77 1.81 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.75 4.73 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 P 0.00 4.29 0.00 2.13 2.11 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 12 V 7.87 2.76 1.62 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 0.16 0.00 0.00 0.61 0.00 0.00 13 L 7.91 3.68 0.00 1.87 1.90 1.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.09 4.52 0.00 3.83 3.71 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 15 E 8.97 3.95 0.00 2.10 1.98 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 2.40 2.49 0.00 16 K 7.52 3.82 0.00 1.57 1.61 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.34 7.81 17 A 7.40 3.53 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.66 2.68 0.00 2.88 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 19 A 7.47 4.00 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 20 G 7.40 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.42 4.07 0.00 3.04 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 22 A 7.35 4.16 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 0.00 0.00 0.00 0.00 0.00 23 E 7.93 4.52 0.00 2.09 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 2.24 2.27 0.00 24 G 8.27 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 25 K 8.93 4.99 0.00 1.64 1.70 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.50 7.81 26 Y 9.00 4.73 0.00 3.12 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 27 T 8.25 5.12 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 0.89 0.00 0.00 28 F 9.44 5.21 0.00 2.83 3.09 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 0.00 0.00 0.00 0.00 29 W 9.55 4.87 0.00 3.53 3.14 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 0.00 30 V 8.96 5.08 2.25 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 0.75 0.00 0.00 1.01 0.00 0.00 31 H 9.15 4.50 0.00 3.44 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.20 0.00 2.21 2.15 0.00 3.83 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 1.79 2.02 0.00 33 K 7.54 4.19 0.00 1.69 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.37 7.81 34 A 8.32 5.14 1.26 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 0.00 0.00 0.00 35 T 8.24 4.51 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 1.23 0.00 0.00 36 K 8.38 3.97 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.47 7.81 37 T 7.89 3.84 4.23 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 1.20 0.00 0.00 38 E 8.17 3.90 0.00 2.23 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 2.44 0.00 39 I 8.09 3.57 2.01 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 1.72 0.76 0.81 0.00 0.00 40 K 8.45 3.71 0.00 1.75 1.99 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 41 N 8.30 4.30 0.00 2.77 2.81 0.00 0.00 7.01 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 42 A 7.79 3.81 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 43 V 7.99 3.44 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 0.82 0.00 0.00 0.32 0.00 0.00 44 E 8.32 4.24 0.00 2.23 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 2.54 2.35 0.00 45 T 7.56 4.48 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 1.19 0.00 0.00 46 A 8.25 4.63 1.33 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 47 F 8.17 4.49 0.00 2.86 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 48 K 7.60 3.98 0.00 1.77 1.88 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.39 7.81 49 V 7.23 4.53 2.07 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 0.99 0.00 0.00 0.93 0.00 0.00 50 K 8.56 5.40 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.20 7.81 51 V 8.51 4.74 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 0.90 0.00 0.00 0.89 0.00 0.00 52 V 9.14 4.27 2.10 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 0.79 0.00 0.00 0.96 0.00 0.00 53 K 7.60 4.56 0.00 1.84 1.58 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.40 7.81 54 V 8.21 4.95 2.07 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 0.85 0.00 0.00 0.91 0.00 0.00 55 N 9.11 5.21 0.00 2.80 2.61 0.00 0.00 6.62 6.39 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 56 T 8.19 5.24 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 1.20 0.00 0.00 57 L 7.95 4.45 0.00 1.64 1.75 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.02 4.99 0.00 3.10 3.33 0.00 5.64 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 59 V 9.36 4.33 2.31 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 1.05 0.00 0.00 1.23 0.00 0.00 60 R 8.37 4.68 0.00 1.88 1.85 0.00 3.11 0.00 0.00 3.06 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 61 G 8.56 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 4.17 0.00 1.72 1.76 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.46 7.81 63 K 8.69 4.63 0.00 1.96 1.86 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.46 7.81 64 K 8.18 4.64 0.00 1.73 1.76 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.37 7.81 65 R 8.38 4.84 0.00 1.72 1.75 0.00 3.26 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 66 L 8.36 4.64 0.00 1.73 1.55 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.67 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 0.00 0.00 0.00 68 R 8.05 3.98 0.00 1.68 1.82 0.00 2.58 0.00 0.00 2.82 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 69 Y 7.21 4.40 0.00 3.25 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 70 L 8.35 4.55 0.00 1.61 1.58 0.92 1.03 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 71 G 8.33 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 0.00 0.00 0.00 0.00 72 K 8.35 5.00 0.00 1.56 1.66 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.50 7.81 73 R 8.74 4.44 0.00 1.73 1.78 0.00 3.13 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 74 P 0.00 4.56 0.00 2.00 2.02 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 75 D 8.55 4.90 0.00 2.69 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 76 R 8.76 4.93 0.00 1.30 1.49 0.00 2.93 0.00 0.00 2.72 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.45 0.00 77 K 8.71 5.17 0.00 1.75 1.65 0.00 1.60 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.36 7.81 78 K 9.46 5.19 0.00 1.20 1.72 0.00 0.63 0.00 0.00 1.38 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.17 7.81 79 A 8.89 4.99 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 80 I 8.90 4.90 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.66 0.91 0.00 0.00 81 V 9.21 4.70 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 0.56 0.00 0.00 1.19 0.00 0.00 82 Q 9.08 4.71 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 83 V 9.38 4.32 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 0.99 0.00 0.00 1.02 0.00 0.00 84 A 9.17 4.26 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 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.15 0.00 2.20 2.14 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 86 G 8.89 4.20 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 0.00 87 Q 7.23 4.20 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 88 K 7.72 4.25 0.00 1.98 1.87 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.53 7.81 89 I 6.94 4.02 0.82 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 1.15 0.00 0.00 90 E 8.86 4.01 0.00 1.99 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 2.40 2.26 0.00 91 A 8.25 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 4.53 0.00 1.58 1.52 0.55 1.01 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 93 E 7.94 4.18 0.00 2.13 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 2.55 2.39 0.00 94 G 7.67 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 L 7.61 4.12 0.00 1.42 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.