NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4161 8.1927 115.4144 57.8576 65.2597 174.9019 3 H 3.9657 8.1735 120.0242 56.9285 30.0929 174.5278 *5 H 4.5362 8.5233 119.0844 55.6977 32.1898 174.7458 6 R 3.8935 8.0793 117.6303 59.3259 30.1461 178.4589 7 V 3.6522 7.5360 117.8473 66.0203 31.4124 178.1966 8 I 2.6758 7.3011 110.8103 63.0388 37.6439 176.6513 9 N 4.5436 7.4131 115.0514 52.0223 39.1682 174.7636 10 H 4.0270 7.4488 121.8348 55.7544 30.4187 174.2361 11 P 4.0292 0.0000 0.0000 65.6278 31.4741 176.7375 12 Y 4.2193 8.2087 113.5763 58.5046 38.4722 173.8877 13 Y 4.8411 8.0365 122.8799 57.0463 39.4797 174.4547 14 F 4.3734 8.7503 126.3292 53.8379 41.7707 174.7654 15 P 4.8692 0.0000 0.0000 62.5409 28.7848 175.8616 16 F 5.3127 7.4149 119.3357 56.5129 42.0516 176.5999 17 N 5.3116 9.3823 122.4063 52.1019 40.2053 176.2968 18 G 3.5182 8.4309 105.7469 47.8925 0.0000 175.3943 19 K 3.7294 8.0198 121.9796 59.5726 32.1395 178.6678 20 Q 3.6252 8.3363 117.7421 58.4796 28.4565 178.4512 21 A 3.6608 7.7079 121.8097 55.0115 18.4701 179.2757 22 E 2.9421 7.8097 116.9118 59.4588 29.2391 179.2560 23 D 4.2039 7.5417 117.1843 57.7081 40.9396 178.1588 24 Y 4.1163 8.0066 120.0636 60.6179 38.7500 177.8960 25 L 3.7039 8.0313 119.2812 56.7281 41.4914 179.2517 26 R 4.0685 7.4831 117.9531 58.9586 30.1307 177.4775 27 S 4.4251 7.2089 109.4946 58.2361 63.5225 173.9838 28 K 4.3586 7.4691 121.4612 55.4047 34.2382 175.0854 29 E 4.6683 9.0706 118.7474 54.4708 31.7696 175.9023 30 R 4.2704 8.3937 119.0341 58.4897 30.2874 177.4349 31 G 4.2368 9.4320 112.2589 45.3012 0.0000 173.4102 32 D 5.0473 8.1184 119.7524 55.0027 42.1368 175.1518 33 F 5.5618 8.1231 113.4832 56.7463 40.6355 173.3436 34 V 4.8644 8.8566 111.8564 59.7702 36.3606 174.8733 35 I 4.8157 8.7266 124.2523 60.9927 38.8310 175.4808 36 R 5.0923 9.1308 122.1249 54.4523 33.4424 173.7021 37 Q 5.2958 8.3673 117.3771 54.7075 31.2995 175.4625 38 S 4.4883 8.2844 113.5696 56.7897 65.6219 174.2891 39 S 5.1311 8.5619 126.3109 58.8770 63.0111 175.8367 40 R 4.3502 7.9146 120.2047 58.5611 32.1142 178.1911 41 G 4.3530 7.4111 110.1708 45.7149 0.0000 174.0948 42 D 4.7148 9.0705 123.7718 54.2972 40.7994 175.1350 43 D 5.0116 7.8658 119.9779 52.8354 43.9869 175.6625 44 H 5.4820 8.6808 117.1697 55.0339 30.3353 174.1575 45 L 5.3040 7.6145 119.1365 53.4614 44.8593 175.0142 46 A 5.0348 8.8582 121.7974 51.0763 23.5235 174.9348 47 I 4.9203 9.0173 120.3255 60.0469 39.8755 175.2417 48 T 5.3769 9.0101 122.6264 61.6170 71.9883 173.1010 49 W 5.9233 8.9191 121.8788 54.9440 32.7598 173.7614 50 K 4.6676 9.3269 122.9523 55.4837 32.0773 177.3980 51 L 4.1231 8.4337 129.1006 57.2236 42.1954 176.0840 52 D 4.1358 6.8839 115.3689 53.4143 44.0226 173.8120 53 K 3.9155 8.4686 121.4766 57.9414 31.8055 175.7440 54 D 4.6455 8.7337 124.7180 54.2504 39.5318 172.6651 55 L 4.5206 6.9622 118.9581 52.8058 44.9335 175.3098 56 F 5.1825 8.5806 123.2562 55.7521 43.2997 173.9771 57 Q 4.5564 8.3195 119.4489 54.3181 31.9346 174.3694 58 H 5.5434 8.7405 118.7190 54.1082 32.2713 173.1456 59 V 4.6246 9.2434 122.3160 61.1010 35.0910 174.2238 60 D 4.8573 8.9190 126.9652 54.3399 41.8130 175.6827 61 I 4.5445 8.1405 123.7488 59.8115 38.7206 175.4052 62 Q 4.9308 8.9695 127.1376 54.5378 30.1937 174.8009 63 E 5.2961 8.4609 122.8127 53.4967 32.5984 174.8783 *65 E 4.2634 8.6055 123.5255 56.4306 30.9451 176.0820 66 K 4.6837 7.7667 120.7188 55.9031 34.5867 176.8042 67 E 4.7082 8.3144 114.5054 56.2661 28.7368 174.4413 68 N 4.7708 7.7948 114.9110 55.4102 41.1820 174.9951 69 P 4.2170 0.0000 0.0000 65.0578 31.9420 177.9365 *73 G 3.8323 7.0754 107.8033 42.5945 0.0000 172.6179 74 K 4.6886 7.7134 119.0938 53.4165 35.8712 175.9496 75 V 4.6606 7.8096 118.3311 60.2282 34.8423 174.2023 76 L 4.9629 9.2094 124.5407 53.5165 44.0275 175.7691 77 V 4.9564 8.9652 122.4659 61.2595 34.7642 174.2565 78 V 4.5082 8.7984 127.8901 61.6985 34.3272 175.3606 79 E 3.9393 10.2156 127.8022 57.4587 27.1670 175.9224 80 G 3.9082 8.4834 103.9780 45.9396 0.0000 173.7104 81 Q 4.3797 8.1487 119.1124 54.0792 30.0998 175.5247 82 R 4.7421 7.9581 121.1107 55.7956 31.6041 175.4190 83 Y 4.9366 8.8061 117.6004 56.9465 42.3640 176.3854 84 H 4.2795 9.4158 120.3419 58.3794 28.5670 175.8589 85 D 5.0309 7.7502 116.8686 50.5861 43.9471 175.8235 86 L 4.1173 8.3436 120.0463 58.1259 41.9280 178.2195 87 D 4.4267 8.1822 118.5658 57.7565 40.5568 178.8304 88 Q 4.0948 8.7865 118.5496 58.7234 28.7538 178.8954 89 I 3.1631 6.8947 121.3831 64.2432 36.9746 178.3376 90 I 3.5202 7.9745 120.9535 64.3319 36.9361 178.3496 91 V 3.6011 7.8456 118.9588 66.3861 31.2762 178.0389 92 E 3.9118 7.8432 117.7494 59.5121 29.2607 178.5810 93 Y 3.5314 7.8248 115.3089 59.3773 37.6580 177.7530 94 L 4.3252 7.5327 120.4676 57.2053 42.0154 178.8664 95 Q 3.9871 7.8691 117.1393 59.0286 28.8854 177.6282 96 N 4.0674 8.4751 118.1829 56.8469 38.5725 176.3475 97 K 3.8638 7.6990 120.8844 59.8332 32.4579 178.4574 98 I 3.9057 8.0812 120.1959 64.5332 36.8929 177.9227 99 R 4.3137 7.6336 114.6573 56.8013 29.8623 176.7388 100 L 4.1989 7.5287 125.1266 55.0416 41.6817 176.6909 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 2 S 8.19 4.42 0.00 3.96 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 0.00 3 H 8.17 3.97 0.00 3.34 3.34 0.00 5.89 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 H 8.52 4.54 0.00 3.26 3.42 0.00 5.93 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.08 3.89 0.00 1.83 1.90 0.00 3.38 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 7 V 7.54 3.65 1.93 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 0.87 0.00 0.00 0.82 0.00 0.00 8 I 7.30 2.68 1.48 0.00 0.00 0.70 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 0.52 0.55 0.00 0.00 9 N 7.41 4.54 0.00 2.63 2.74 0.00 0.00 6.95 7.43 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 10 H 7.45 4.03 0.00 3.49 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.76 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 4.03 0.00 2.00 1.98 0.00 3.28 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 12 Y 8.21 4.22 0.00 3.24 3.04 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 13 Y 8.04 4.84 0.00 3.07 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 14 F 8.75 4.37 0.00 2.13 1.45 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 0.00 15 P 0.00 4.87 0.00 2.09 2.21 0.00 3.38 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 16 F 7.41 5.31 0.00 3.02 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 17 N 9.38 5.31 0.00 2.96 3.02 0.00 0.00 6.99 6.84 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 18 G 8.43 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 0.00 0.00 0.00 19 K 8.02 3.73 0.00 1.76 1.91 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.47 7.81 20 Q 8.34 3.63 0.00 1.81 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 21 A 7.71 3.66 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.81 2.94 0.00 1.80 1.12 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 1.47 2.26 0.00 23 D 7.54 4.20 0.00 2.53 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 24 Y 8.01 4.12 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 25 L 8.03 3.70 0.00 1.90 1.89 1.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.48 4.07 0.00 1.97 2.01 0.00 3.13 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 27 S 7.21 4.43 0.00 3.97 3.89 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 0.00 0.00 0.00 28 K 7.47 4.36 0.00 1.78 1.98 0.00 1.47 0.00 0.00 1.17 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.00 0.98 7.81 29 E 9.07 4.67 0.00 2.12 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 0.00 2.24 2.25 0.00 30 R 8.39 4.27 0.00 1.84 1.96 0.00 3.19 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 31 G 9.43 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 32 D 8.12 5.05 0.00 2.85 2.71 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 33 F 8.12 5.56 0.00 3.28 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 34 V 8.86 4.86 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 0.63 0.00 0.00 1.09 0.00 0.00 35 I 8.73 4.82 2.03 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 1.47 0.99 1.07 0.00 0.00 36 R 9.13 5.09 0.00 2.10 2.02 0.00 3.10 0.00 0.00 3.55 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 37 Q 8.37 5.30 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.19 0.00 38 S 8.28 4.49 0.00 3.91 3.79 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 39 S 8.56 5.13 0.00 3.92 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 40 R 7.91 4.35 0.00 1.82 1.96 0.00 3.37 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 41 G 7.41 4.35 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 0.00 42 D 9.07 4.71 0.00 2.71 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 43 D 7.87 5.01 0.00 2.68 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 44 H 8.68 5.48 0.00 3.25 3.57 0.00 5.58 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.61 5.30 0.00 1.72 1.61 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.86 5.03 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 47 I 9.02 4.92 1.87 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.47 0.59 0.00 0.00 48 T 9.01 5.38 4.36 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 1.14 0.00 0.00 49 W 8.92 5.92 0.00 3.80 3.37 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 50 K 9.33 4.67 0.00 2.11 1.90 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.26 7.81 51 L 8.43 4.12 0.00 1.46 1.52 0.36 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 D 6.88 4.14 0.00 2.56 2.34 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 53 K 8.47 3.92 0.00 1.70 1.68 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 54 D 8.73 4.65 0.00 2.82 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 55 L 6.96 4.52 0.00 1.53 1.12 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.58 5.18 0.00 2.84 2.71 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 57 Q 8.32 4.56 0.00 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 58 H 8.74 5.54 0.00 3.00 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.24 4.62 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 0.92 0.00 0.00 1.26 0.00 0.00 60 D 8.92 4.86 0.00 2.65 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 61 I 8.14 4.54 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.92 0.00 0.00 62 Q 8.97 4.93 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.68 2.18 0.00 63 E 8.46 5.30 0.00 1.97 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 2.19 2.14 0.00 *65 E 8.61 4.26 0.00 2.02 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 2.21 2.33 0.00 66 K 7.77 4.68 0.00 1.69 1.78 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.36 7.81 67 E 8.31 4.71 0.00 2.02 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 2.18 2.33 0.00 68 N 7.79 4.77 0.00 2.71 2.80 0.00 0.00 7.22 8.02 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 69 P 0.00 4.22 0.00 2.16 2.11 0.00 3.54 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 1.99 2.08 0.00 *73 G 7.08 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 0.00 0.00 0.00 74 K 7.71 4.69 0.00 1.33 1.51 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.31 7.81 75 V 7.81 4.66 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 0.84 0.00 0.00 1.01 0.00 0.00 76 L 9.21 4.96 0.00 1.71 1.68 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.97 4.96 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 1.10 0.00 0.00 0.95 0.00 0.00 78 V 8.80 4.51 2.29 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 1.08 0.00 0.00 0.93 0.00 0.00 79 E 10.22 3.94 0.00 2.16 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 2.35 2.32 0.00 80 G 8.48 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.15 4.38 0.00 2.06 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 82 R 7.96 4.74 0.00 1.65 1.77 0.00 3.13 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 83 Y 8.81 4.94 0.00 2.88 2.77 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 84 H 9.42 4.28 0.00 3.21 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.75 5.03 0.00 2.92 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 86 L 8.34 4.12 0.00 1.70 1.47 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.18 4.43 0.00 3.02 2.77 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 88 Q 8.79 4.09 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.81 0.00 89 I 6.89 3.16 1.69 0.00 0.00 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 0.10 0.18 0.40 0.00 0.00 90 I 7.97 3.52 1.99 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 1.49 1.62 0.77 0.00 0.00 91 V 7.85 3.60 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 1.05 0.00 0.00 0.96 0.00 0.00 92 E 7.84 3.91 0.00 2.14 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 93 Y 7.82 3.53 0.00 1.80 1.49 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 94 L 7.53 4.33 0.00 1.93 1.77 1.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.87 3.99 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 96 N 8.48 4.07 0.00 2.33 2.52 0.00 0.00 6.81 6.09 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 97 K 7.70 3.86 0.00 1.96 2.07 0.00 1.94 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.59 7.81 98 I 8.08 3.91 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.43 0.95 0.00 0.00 99 R 7.63 4.31 0.00 1.77 1.94 0.00 3.12 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 100 L 7.53 4.20 0.00 1.73 1.60 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.