NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2737 8.3144 124.0401 55.1237 33.8590 174.2712 8 Q 3.9741 7.9676 125.3041 53.1747 30.6791 172.4369 9 Q 4.8527 7.5589 123.9278 55.6838 32.5176 172.7827 10 G 4.0619 7.7048 112.4584 45.5193 0.0000 171.7038 11 E 4.7598 8.7607 117.1127 56.3013 30.7373 176.0812 12 L 4.7075 8.8415 120.4811 53.5538 46.9754 174.7437 13 Y 5.1586 9.0695 118.7505 57.5331 39.9326 174.7962 14 M 5.2311 9.4348 121.8509 53.3149 36.3318 174.3936 15 W 4.3497 8.3499 132.6521 56.2087 31.6660 175.3477 16 D 4.3616 7.7275 128.9114 52.4965 40.9851 177.0144 17 S 3.7338 8.1373 120.3230 59.5105 62.7078 175.1352 18 I 3.9031 6.8703 122.0521 63.7578 37.5969 176.3756 19 D 4.3452 7.7281 119.5394 54.6346 41.1879 176.2712 20 Q 2.5208 7.1554 120.1171 56.8274 27.1134 173.9081 21 K 4.8532 6.3048 117.6157 53.3921 36.9910 177.9441 22 W 5.3906 9.0002 120.2377 57.0642 30.2872 176.1062 23 T 4.9496 9.2620 113.2753 60.0239 72.1898 172.9552 24 R 4.7895 8.6353 122.4237 55.8866 31.6050 175.0775 25 H 5.2782 9.4250 121.3998 53.8185 33.2678 172.4686 26 F 4.8316 9.1684 124.7845 57.8200 40.6636 174.3012 27 C 5.9431 8.5479 122.5304 57.2533 32.3585 172.8164 28 A 5.0997 8.2536 121.5303 50.7468 22.9316 175.2509 29 I 5.0566 8.4570 120.3916 59.5373 39.5904 175.3864 30 A 4.7510 8.4819 129.5899 51.4895 22.9812 175.1320 31 D 4.2210 8.5014 121.3245 55.8780 40.3873 174.5914 32 A 4.9132 8.8435 130.2219 53.1640 20.1535 175.7108 33 K 5.1144 8.5331 122.3637 54.8236 36.0412 177.4357 34 L 5.2627 9.0844 127.2653 52.6270 44.2404 175.1387 35 S 5.5739 9.2561 121.8762 56.6631 65.7979 173.1179 36 F 5.5309 8.6586 116.6607 55.4773 41.2526 174.7752 37 S 4.6286 8.7633 117.5809 57.3459 65.1385 173.0864 38 D 4.6990 8.3191 119.9562 53.4599 42.0713 175.5497 39 D 4.4654 8.8062 119.5437 54.7681 41.5957 177.1225 40 I 4.0636 8.7331 119.6413 62.1216 37.9072 176.8051 41 E 4.1859 8.6807 123.6660 59.1581 29.2717 177.5608 42 Q 4.0071 7.0618 117.6049 56.6182 29.0884 178.9562 *52 S 4.2272 7.5517 109.9470 58.2846 63.7496 174.0374 53 L 4.4277 8.2540 125.8687 54.9180 42.4886 177.0680 54 C 4.6553 7.7411 116.6828 59.1245 32.6035 175.4910 55 R 4.1626 7.8109 120.0642 58.6965 29.9675 179.8866 56 G 3.7641 6.8480 101.1500 46.2618 0.0000 172.8577 57 I 5.3433 8.3663 121.7235 59.3752 41.0385 174.5126 58 L 4.8878 9.2892 127.1048 53.0557 44.5540 175.3303 59 D 5.0507 8.9150 123.6127 52.9760 41.3655 176.6890 60 L 4.2250 9.0714 128.2201 57.7077 41.9832 179.8278 61 N 4.4002 8.4972 115.8777 56.0948 38.8368 175.9901 62 T 4.1501 8.3097 107.4068 62.3898 69.5468 173.5907 63 Y 4.9416 7.6972 119.2021 56.4028 41.1612 174.4294 64 N 5.2275 9.4217 116.8671 51.7743 43.3649 174.1756 65 V 4.8410 8.4085 114.1384 59.8617 33.3870 175.3988 66 V 4.7128 8.7162 125.7337 61.1033 34.2574 174.3663 67 K 5.1413 9.0756 126.4947 55.0964 34.5591 175.9625 68 A 4.6278 8.4023 128.7047 49.7128 19.1064 175.6320 69 P 4.2905 0.0000 0.0000 66.7692 31.4972 178.7252 70 Q 3.9718 7.9184 114.0158 57.3645 28.9464 177.1497 71 G 3.7375 9.4200 106.1631 45.4024 0.0000 172.2024 72 K 4.2022 8.4348 116.2193 56.7645 35.7775 175.8687 73 N 3.9008 9.4859 120.7545 54.6329 35.8550 174.7305 74 Q 3.5978 8.0198 111.0341 56.3223 27.1916 173.7930 75 K 4.3026 7.9479 118.6099 54.4891 34.0501 177.7351 76 S 3.6865 8.2507 119.7080 60.4292 63.1581 174.0073 77 F 5.0532 7.5435 119.2632 55.8283 41.2731 174.9454 78 V 5.1511 8.4534 116.4012 59.4728 36.3833 174.5946 79 F 5.3959 8.6991 117.1941 55.2518 41.7704 173.8387 80 I 4.9503 8.9914 120.1905 59.7125 40.9610 174.8610 81 L 5.1676 9.0061 127.9901 53.5824 42.1432 174.7145 82 E 5.1195 9.0302 123.1647 54.1362 31.9882 174.7502 83 P 4.7583 0.0000 0.0000 62.4576 34.0670 175.2734 84 K 4.4923 7.8519 122.5993 53.8935 33.7943 171.9714 85 Q 4.6296 8.6329 131.1168 54.6654 29.6427 169.1745 *89 P 4.3278 0.0000 0.0000 61.9891 33.4817 174.5162 90 P 4.7769 0.0000 0.0000 62.4732 32.4583 175.8579 91 V 4.0210 8.3220 123.5316 61.2749 33.7041 174.1647 92 E 4.6622 8.3118 127.1743 54.7535 31.8598 175.0750 93 F 5.3003 8.2809 123.0905 55.9736 42.3508 174.6606 94 A 5.0644 8.5634 120.9479 51.1655 22.7117 175.3532 95 T 5.0036 8.5914 109.6708 60.1349 71.9938 174.3065 96 D 4.5810 9.3350 123.6306 57.5794 41.4142 177.6012 97 K 4.5480 7.7557 120.6405 52.8149 33.6001 179.9369 98 V 2.5737 7.5893 122.7669 64.0257 30.8928 178.4734 99 E 4.0254 7.9723 117.6612 59.2822 29.1986 178.9062 100 E 3.9571 8.0150 119.1404 59.1351 29.6098 178.7052 101 L 4.1431 8.1492 119.8740 58.6110 41.8697 178.4522 102 F 4.4206 8.2391 120.0893 61.4774 39.3529 176.4476 103 E 3.4216 8.2771 118.0656 59.3542 29.3741 179.5629 104 W 3.8992 8.2291 118.4341 59.7630 29.1464 178.0864 105 F 3.6228 8.4898 120.7354 61.5113 38.6662 176.9630 106 Q 4.0427 8.2835 117.4057 59.2489 28.3191 178.9012 107 S 4.0118 7.5934 114.5744 62.0441 63.3634 176.8958 108 I 3.8094 7.6781 122.0186 64.3135 36.7419 178.5150 109 R 4.1278 8.2089 122.0605 59.5718 29.6780 178.7169 110 E 4.4728 8.2507 114.0595 58.9712 29.3546 180.3930 111 I 4.7321 7.8711 119.5568 62.6696 40.6110 175.5863 112 T 4.1875 7.7476 114.0480 61.7254 68.8286 174.3937 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 7 K 8.31 4.27 0.00 1.56 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 8 Q 7.97 3.97 0.00 1.86 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.00 9 Q 7.56 4.85 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 10 G 7.70 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 11 E 8.76 4.76 0.00 2.02 2.04 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 2.25 2.22 0.00 12 L 8.84 4.71 0.00 1.40 1.44 -0.34 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 9.07 5.16 0.00 2.88 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 14 M 9.43 5.23 0.00 1.54 1.56 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.85 0.00 15 W 8.35 4.35 0.00 2.19 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 16 D 7.73 4.36 0.00 2.62 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 0.00 0.00 0.00 0.00 17 S 8.14 3.73 0.00 3.89 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 18 I 6.87 3.90 1.91 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 1.20 0.37 0.80 0.00 0.00 19 D 7.73 4.35 0.00 2.47 2.59 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 20 Q 7.16 2.52 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 21 K 6.30 4.85 0.00 1.38 1.59 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.03 7.81 22 W 9.00 5.39 0.00 3.22 3.29 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 23 T 9.26 4.95 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 1.32 0.00 0.00 24 R 8.64 4.79 0.00 1.82 1.86 0.00 3.16 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.66 0.00 25 H 9.42 5.28 0.00 3.16 3.49 0.00 5.62 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 26 F 9.17 4.83 0.00 3.25 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 27 C 8.55 5.94 0.00 2.58 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 28 A 8.25 5.10 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 29 I 8.46 5.06 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.98 0.91 0.00 0.00 30 A 8.48 4.75 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 31 D 8.50 4.22 0.00 2.83 1.73 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 32 A 8.84 4.91 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 33 K 8.53 5.11 0.00 1.40 1.63 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 34 L 9.08 5.26 0.00 1.73 1.60 0.59 0.99 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 35 S 9.26 5.57 0.00 3.94 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 36 F 8.66 5.53 0.00 3.26 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 37 S 8.76 4.63 0.00 4.18 4.12 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 0.00 0.00 0.00 38 D 8.32 4.70 0.00 2.64 2.66 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 39 D 8.81 4.47 0.00 2.69 2.61 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 40 I 8.73 4.06 1.90 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 1.32 0.73 1.08 0.00 0.00 41 E 8.68 4.19 0.00 2.26 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 2.34 2.28 0.00 42 Q 7.06 4.01 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.31 2.16 0.00 *52 S 7.55 4.23 0.00 3.86 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 53 L 8.25 4.43 0.00 1.61 1.62 0.75 0.89 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 54 C 7.74 4.66 0.00 2.98 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 55 R 7.81 4.16 0.00 1.64 1.83 0.00 3.36 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 56 G 6.85 3.76 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 0.00 0.00 0.00 57 I 8.37 5.34 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.98 0.00 0.00 58 L 9.29 4.89 0.00 1.76 1.65 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.92 5.05 0.00 2.81 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 60 L 9.07 4.23 0.00 1.88 1.79 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.50 4.40 0.00 2.97 2.92 0.00 0.00 6.98 7.10 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 62 T 8.31 4.15 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 1.25 0.00 0.00 63 Y 7.70 4.94 0.00 2.89 2.91 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 64 N 9.42 5.23 0.00 2.80 2.72 0.00 0.00 7.29 7.89 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 65 V 8.41 4.84 1.18 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 0.49 0.00 0.00 0.73 0.00 0.00 66 V 8.72 4.71 2.20 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 1.15 0.00 0.00 1.09 0.00 0.00 67 K 9.08 5.14 0.00 2.08 1.79 0.00 1.94 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.85 7.81 68 A 8.40 4.63 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 69 P 0.00 4.29 0.00 2.06 2.16 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 70 Q 7.92 3.97 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 71 G 9.42 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 72 K 8.43 4.20 0.00 1.76 1.57 0.00 1.63 0.00 0.00 1.28 0.00 0.00 3.02 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.09 1.26 7.81 73 N 9.49 3.90 0.00 2.24 2.10 0.00 0.00 7.02 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 74 Q 8.02 3.60 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 75 K 7.95 4.30 0.00 1.36 1.06 0.00 1.05 0.00 0.00 1.23 0.00 0.00 2.53 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 S 8.25 3.69 0.00 2.88 2.63 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 0.00 0.00 0.00 77 F 7.54 5.05 0.00 3.14 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 78 V 8.45 5.15 2.30 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 0.75 0.00 0.00 1.00 0.00 0.00 79 F 8.70 5.40 0.00 3.07 3.26 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 80 I 8.99 4.95 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.94 0.00 0.00 81 L 9.01 5.17 0.00 1.64 1.18 1.17 0.87 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 82 E 9.03 5.12 0.00 2.13 2.14 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 2.30 2.31 0.00 83 P 0.00 4.76 0.00 1.97 1.71 0.00 3.53 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.45 0.00 84 K 7.85 4.49 0.00 1.83 1.63 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.21 7.81 85 Q 8.63 4.63 0.00 2.09 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.59 0.00 0.00 0.00 0.00 0.00 2.03 1.71 0.00 *89 P 0.00 4.33 0.00 2.07 2.06 0.00 3.70 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 1.94 2.13 0.00 90 P 0.00 4.78 0.00 1.94 2.00 0.00 3.67 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 2.04 2.11 0.00 91 V 8.32 4.02 1.74 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 0.19 0.00 0.00 0.74 0.00 0.00 92 E 8.31 4.66 0.00 1.85 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 2.23 2.23 0.00 93 F 8.28 5.30 0.00 1.51 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 0.00 0.00 0.00 0.00 94 A 8.56 5.06 0.47 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 0.00 0.00 95 T 8.59 5.00 4.54 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 1.38 0.00 0.00 96 D 9.34 4.58 0.00 2.82 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 97 K 7.76 4.55 0.00 1.67 1.67 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 0.98 7.81 98 V 7.59 2.57 0.87 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 0.55 0.00 0.00 0.73 0.00 0.00 99 E 7.97 4.03 0.00 2.22 2.28 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 2.33 2.35 0.00 100 E 8.02 3.96 0.00 2.28 2.28 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 2.42 2.37 0.00 101 L 8.15 4.14 0.00 1.94 1.96 1.33 1.14 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 0.00 102 F 8.24 4.42 0.00 3.05 3.27 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 0.00 103 E 8.28 3.42 0.00 2.00 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 0.00 2.03 2.20 0.00 104 W 8.23 3.90 0.00 3.10 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 0.00 105 F 8.49 3.62 0.00 3.20 3.03 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 0.00 106 Q 8.28 4.04 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 107 S 7.59 4.01 0.00 3.75 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 0.00 108 I 7.68 3.81 1.60 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.22 0.83 0.00 0.00 109 R 8.21 4.13 0.00 2.20 2.06 0.00 3.39 0.00 0.00 3.89 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 110 E 8.25 4.47 0.00 2.08 1.82 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 2.26 2.22 0.00 111 I 7.87 4.73 2.01 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 1.35 1.06 0.93 0.00 0.00 112 T 7.75 4.19 4.29 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 1.32 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.