NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.0809 8.2431 120.8611 54.4971 31.9530 176.4651 4 G 3.7738 8.0893 106.4480 43.9735 0.0000 166.7809 5 V 4.3596 8.1853 117.6013 60.8493 35.2201 172.9668 6 N 4.8274 8.6200 123.4473 51.6976 40.4309 173.0629 7 K 4.8799 8.3756 125.9083 54.6968 35.8456 175.3625 8 V 4.5012 8.6028 125.5867 61.1727 34.9649 174.0256 9 I 4.9281 8.3219 127.2152 59.5185 40.3541 174.7966 10 L 4.6732 8.2810 125.1647 53.0986 46.5156 175.5930 11 V 4.6030 8.0602 121.5025 61.8587 34.2783 174.3205 12 G 4.0646 8.3281 114.5641 46.1746 0.0000 170.8787 13 N 5.5999 7.9038 115.2898 51.0406 41.2649 175.2789 14 L 4.4103 8.4555 121.3344 55.3400 42.5020 177.9946 15 G 4.2504 8.6925 107.8691 47.7353 0.0000 174.2242 16 Q 4.7496 8.1496 115.2970 54.5817 31.0616 173.5105 17 D 4.5986 8.7502 120.4247 53.5359 41.6872 175.1072 18 P 4.4609 0.0000 0.0000 63.2310 32.1571 176.7050 19 E 4.6045 8.9454 123.2121 55.2595 27.9768 175.5098 20 V 4.3451 7.5969 114.0724 61.4147 33.1477 177.2786 21 R 4.5788 9.3528 123.6634 55.1232 34.0843 174.2854 22 Y 4.4910 8.9366 123.2603 57.8892 38.4615 175.7892 23 M 3.9130 8.8381 125.1633 58.4470 32.6186 175.3402 *28 A 4.2307 7.4788 116.7161 52.4754 20.4300 175.3185 29 V 4.4519 7.7664 112.7710 62.4821 35.6338 172.2052 30 A 5.2180 8.7823 129.6898 50.2707 22.3881 174.7483 31 N 5.4940 8.5759 116.8357 51.3731 42.0786 173.8448 32 I 4.8238 8.8653 116.5034 59.5207 41.9661 174.2883 33 T 5.7016 8.3509 119.0527 59.5202 68.0803 172.6872 34 L 4.6758 8.4056 127.1418 54.2875 43.1711 175.4966 35 A 4.8654 8.8916 124.0438 50.1097 22.0352 175.1924 36 T 4.2229 8.2574 112.9223 59.9390 71.0377 174.4833 37 S 4.4149 8.2710 123.6170 58.2408 64.0439 172.4257 38 E 4.6027 7.7095 118.6306 55.5735 33.4749 174.4124 39 S 5.2561 8.2533 116.9789 58.6312 63.9516 177.1455 *50 E 4.2627 8.0145 121.9650 56.8496 31.2570 176.7913 51 Q 2.9038 7.6837 117.9653 56.8770 25.8955 175.8662 52 T 3.6591 7.8440 117.6786 64.5500 69.3090 173.7435 53 E 4.7605 8.0639 125.9583 54.3642 32.6683 174.2629 54 W 5.3110 8.6087 121.0880 55.1597 33.0988 174.7324 55 H 4.8902 10.1562 119.8863 54.2348 32.6755 173.0145 56 R 4.6992 8.6769 122.9144 55.0906 30.3076 173.8767 57 V 4.5712 9.0688 126.0585 61.1226 33.8042 174.4231 58 V 4.4110 8.8642 127.9339 61.2924 33.7439 174.5524 59 L 4.5402 8.3405 130.0329 52.7515 41.8110 177.7257 60 F 4.9379 8.6069 129.3689 58.7786 39.2768 174.8364 61 G 3.9000 8.1326 109.9590 44.4162 0.0000 175.9903 62 K 3.8455 8.5987 119.6091 60.1586 32.0995 178.8446 63 L 3.8671 8.1526 119.2188 57.2206 41.4557 179.3242 64 A 4.0278 7.9258 120.9487 54.8779 18.6041 179.0021 65 E 3.7702 8.0527 117.5597 59.8272 29.5996 179.9150 66 V 3.2036 7.7400 116.9817 65.7877 31.5784 177.3955 67 A 3.9740 7.4732 119.4002 55.2743 17.9896 179.6180 68 S 4.0005 7.7249 110.8726 61.7496 63.1187 175.8363 69 E 3.9763 8.0667 122.2062 58.1660 29.2136 178.1956 70 Y 4.9227 7.6100 111.0680 56.4241 40.2882 175.4047 71 L 3.7517 8.5515 124.0064 53.9513 41.3782 173.3794 72 R 3.8489 7.9274 128.9132 56.8760 30.6160 175.5809 73 K 4.4440 9.0662 124.5216 56.1757 32.3755 173.4551 74 G 4.2487 8.3817 114.5517 45.3218 0.0000 174.2921 75 S 4.1751 7.5491 114.6088 58.9711 64.0164 174.1004 76 Q 4.6384 8.7542 125.3190 56.0814 30.3498 174.7305 77 V 4.9461 8.9132 117.7430 60.3529 37.0367 172.7007 78 Y 4.9113 8.6906 122.9015 56.0585 41.6744 174.5253 79 I 4.9382 7.7766 125.5725 59.5621 42.1086 173.6422 80 E 4.8485 8.7775 126.6588 54.7705 32.8326 174.9172 81 G 4.4317 8.4540 112.5414 46.1164 0.0000 171.7059 82 Q 5.0318 8.3300 118.0204 53.8397 33.4409 174.8157 83 L 4.7183 9.0072 122.2275 54.4765 42.4159 176.6006 84 R 4.5726 9.5281 124.4573 54.8024 32.9934 173.8595 85 T 5.3568 8.7256 123.1054 61.9394 71.3925 172.9310 86 R 4.9299 8.9849 124.2675 54.1118 32.1690 175.1296 87 K 4.8568 8.6368 121.8754 55.2672 34.3250 176.0166 88 W 5.0932 9.9261 122.4461 54.6263 30.8652 174.4289 89 T 3.8808 8.4951 116.0796 61.8641 68.5976 173.4787 90 D 4.6568 8.9395 125.6721 51.4249 42.2419 177.1723 91 Q 4.0233 8.8915 117.2211 59.6528 28.4911 179.6034 92 S 4.1597 8.0060 108.0183 59.0576 62.3964 174.7345 93 G 3.8603 9.0608 108.9775 45.9205 0.0000 173.4856 94 Q 4.5813 7.4334 117.7181 54.0181 31.2866 174.5861 95 D 4.6375 8.4973 121.7129 54.3351 41.3540 175.8606 96 R 4.8725 7.7590 120.9711 54.4388 34.0722 174.3607 97 Y 5.5115 9.0170 117.9875 56.6481 41.7907 174.7115 98 T 4.6728 9.4487 117.7796 60.5583 70.3062 172.3066 99 T 5.0955 8.9032 123.5613 59.7865 68.8391 173.0554 100 E 4.8997 10.0288 126.9112 54.8415 34.3526 174.6798 101 V 4.6651 8.3241 113.3589 59.9374 33.6032 175.7070 102 V 4.2259 8.4295 119.8576 59.9580 33.0838 176.0567 103 V 4.3543 8.0863 124.1128 62.8075 30.6634 174.9667 104 N 4.5856 8.6413 124.9743 54.5414 37.4727 176.9134 105 V 4.3214 9.0568 104.1407 60.3519 34.4875 173.9218 106 G 3.8172 8.3391 114.1806 44.3926 0.0000 175.3435 107 G 4.0621 7.6022 107.6300 46.0771 0.0000 171.1243 108 T 4.7687 8.6815 112.9766 61.4295 71.4599 171.5796 109 M 5.3483 8.5615 123.0249 53.9890 35.8573 174.5379 110 Q 4.5171 8.7117 125.9778 55.0895 32.5853 173.6424 111 M 4.5242 8.8963 126.7030 55.5872 33.0332 176.5256 112 L 4.4430 7.9669 120.0278 54.9924 42.3393 176.4619 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 R 8.24 4.08 0.00 1.79 2.03 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 4 G 8.09 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 0.00 0.00 0.00 5 V 8.19 4.36 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 0.94 0.00 0.00 6 N 8.62 4.83 0.00 2.66 2.67 0.00 0.00 6.73 6.68 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 7 K 8.38 4.88 0.00 1.74 1.58 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.41 7.81 8 V 8.60 4.50 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 0.84 0.00 0.00 0.90 0.00 0.00 9 I 8.32 4.93 1.82 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 1.31 0.76 0.80 0.00 0.00 10 L 8.28 4.67 0.00 1.38 1.28 0.61 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.06 4.60 2.09 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 0.85 0.00 0.00 1.05 0.00 0.00 12 G 8.33 4.06 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 0.00 0.00 0.00 13 N 7.90 5.60 0.00 2.66 2.82 0.00 0.00 7.47 6.62 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 14 L 8.46 4.41 0.00 1.75 1.66 0.99 1.26 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 15 G 8.69 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 0.00 0.00 0.00 0.00 16 Q 8.15 4.75 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 17 D 8.75 4.60 0.00 2.70 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 18 P 0.00 4.46 0.00 2.08 2.07 0.00 3.76 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 2.00 2.16 0.00 19 E 8.95 4.60 0.00 2.02 1.92 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 2.24 2.26 0.00 20 V 7.60 4.35 2.27 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 0.72 0.00 0.00 1.04 0.00 0.00 21 R 9.35 4.58 0.00 1.71 1.86 0.00 3.14 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 22 Y 8.94 4.49 0.00 2.77 2.93 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 23 M 8.84 3.91 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 *28 A 7.48 4.23 0.66 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 29 V 7.77 4.45 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 0.79 0.00 0.00 1.16 0.00 0.00 30 A 8.78 5.22 1.22 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 0.00 0.00 0.00 31 N 8.58 5.49 0.00 2.74 2.66 0.00 0.00 6.63 6.86 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 32 I 8.87 4.82 1.89 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 1.25 0.95 0.91 0.00 0.00 33 T 8.35 5.70 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 1.27 0.00 0.00 34 L 8.41 4.68 0.00 1.68 1.58 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.89 4.87 -0.16 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 36 T 8.26 4.22 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 1.18 0.00 0.00 37 S 8.27 4.41 0.00 3.81 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 38 E 7.71 4.60 0.00 1.99 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 2.20 2.22 0.00 39 S 8.25 5.26 0.00 4.12 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 *50 E 8.01 4.26 0.00 2.14 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 0.00 2.26 2.24 0.00 51 Q 7.68 2.90 0.00 2.14 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 52 T 7.84 3.66 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 0.87 0.00 0.00 53 E 8.06 4.76 0.00 2.15 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 54 W 8.61 5.31 0.00 3.17 3.18 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 55 H 10.16 4.89 0.00 3.15 3.15 0.00 5.79 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 56 R 8.68 4.70 0.00 1.90 1.81 0.00 3.14 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 57 V 9.07 4.57 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 0.94 0.00 0.00 0.91 0.00 0.00 58 V 8.86 4.41 1.65 0.00 0.00 0.00 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 0.84 0.00 0.00 59 L 8.34 4.54 0.00 1.62 1.59 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.61 4.94 0.00 3.26 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 61 G 8.13 3.90 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 0.00 0.00 0.00 62 K 8.60 3.85 0.00 1.93 2.06 0.00 1.56 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.48 7.81 63 L 8.15 3.87 0.00 1.69 1.81 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.93 4.03 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 65 E 8.05 3.77 0.00 1.95 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 2.08 2.40 0.00 66 V 7.74 3.20 2.24 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 1.18 0.00 0.00 0.97 0.00 0.00 67 A 7.47 3.97 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.72 4.00 0.00 4.08 4.07 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 69 E 8.07 3.98 0.00 1.52 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 2.00 2.12 0.00 70 Y 7.61 4.92 0.00 2.92 2.96 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 0.00 0.00 0.00 0.00 71 L 8.55 3.75 0.00 1.64 1.51 0.99 0.94 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 72 R 7.93 3.85 0.00 2.10 2.00 0.00 3.27 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 73 K 9.07 4.44 0.00 2.03 1.92 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.58 7.81 74 G 8.38 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 0.00 0.00 0.00 0.00 75 S 7.55 4.18 0.00 3.93 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 76 Q 8.75 4.64 0.00 2.37 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 77 V 8.91 4.95 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 0.73 0.00 0.00 0.95 0.00 0.00 78 Y 8.69 4.91 0.00 3.01 2.74 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 79 I 7.78 4.94 1.70 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 1.05 0.48 0.79 0.00 0.00 80 E 8.78 4.85 0.00 2.08 1.76 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 2.20 2.25 0.00 81 G 8.45 4.43 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 0.00 82 Q 8.33 5.03 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 83 L 9.01 4.72 0.00 1.70 1.62 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.53 4.57 0.00 1.80 1.71 0.00 3.09 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 85 T 8.73 5.36 4.31 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 1.38 0.00 0.00 86 R 8.98 4.93 0.00 1.91 2.06 0.00 2.77 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 87 K 8.64 4.86 0.00 0.79 1.44 0.00 1.19 0.00 0.00 1.18 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 1.15 7.81 88 W 9.93 5.09 0.00 3.29 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 89 T 8.50 3.88 4.08 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 0.00 0.00 0.00 1.14 0.00 0.00 90 D 8.94 4.66 0.00 2.53 2.41 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 91 Q 8.89 4.02 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.33 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 92 S 8.01 4.16 0.00 4.24 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 93 G 9.06 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 94 Q 7.43 4.58 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.19 0.00 95 D 8.50 4.64 0.00 2.54 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 96 R 7.76 4.87 0.00 0.67 1.59 0.00 3.16 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.30 0.00 97 Y 9.02 5.51 0.00 2.70 2.93 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 98 T 9.45 4.67 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 1.17 0.00 0.00 99 T 8.90 5.10 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 1.24 0.00 0.00 100 E 10.03 4.90 0.00 1.80 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 0.00 2.14 2.40 0.00 101 V 8.32 4.67 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 0.69 0.00 0.00 0.93 0.00 0.00 102 V 8.43 4.23 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 0.67 0.00 0.00 0.99 0.00 0.00 103 V 8.09 4.35 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 0.93 0.00 0.00 0.88 0.00 0.00 104 N 8.64 4.59 0.00 3.02 2.57 0.00 0.00 7.18 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 0.00 105 V 9.06 4.32 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 0.80 0.00 0.00 0.96 0.00 0.00 106 G 8.34 3.82 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 0.00 0.00 0.00 107 G 7.60 4.06 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 0.00 0.00 0.00 108 T 8.68 4.77 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 1.31 0.00 0.00 109 M 8.56 5.35 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 110 Q 8.71 4.52 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 111 M 8.90 4.52 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 112 L 7.97 4.44 0.00 1.73 1.52 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.