NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3390 8.1701 110.9365 61.2278 70.4348 174.1938 4 A 4.4085 8.0291 123.9444 53.4554 22.2306 176.4577 5 Y 4.5943 9.0664 114.0469 61.0815 40.0228 172.2069 6 D 4.6005 7.5408 121.0865 52.8878 40.0084 175.1439 7 V 4.6197 8.6674 122.3131 63.9255 38.7904 173.6101 8 I 4.3921 7.5935 123.1368 60.8645 37.3820 174.8920 9 L 4.8246 8.7338 133.9292 54.4260 43.6982 176.2412 10 A 4.4024 8.9309 127.3964 52.6884 19.9756 175.1510 11 P 4.9444 0.0000 0.0000 61.4149 32.8475 176.9294 12 V 2.7025 7.5669 121.1870 61.6366 32.1028 176.7646 13 L 4.4260 7.4210 121.3344 51.6958 42.5271 175.3855 14 S 4.5958 7.3710 113.6917 56.7738 64.6020 177.1106 15 E 3.8584 7.7663 122.8619 58.3113 29.6395 179.4523 16 K 3.9746 8.0397 118.9820 59.9132 32.0810 178.0179 17 A 3.7957 7.9180 119.6937 55.7302 18.4648 178.8889 18 Y 2.0000 6.2474 113.5014 60.2038 37.9840 178.5369 19 A 4.1231 9.0933 122.4562 55.2498 18.4560 179.3952 20 G 3.8900 8.0880 101.7304 46.1158 0.0000 175.1458 21 F 4.4975 8.6977 119.7082 59.0744 38.8833 176.7250 22 A 4.2941 7.5580 120.2725 52.8598 18.7148 177.2687 23 E 4.3451 8.4063 111.6424 56.1414 29.6241 175.6877 24 G 3.9931 9.4764 112.3812 45.4973 0.0000 173.5151 25 K 3.9847 8.7070 127.6422 56.7164 32.7844 174.9541 26 Y 4.0916 8.5105 125.3680 54.4656 40.7765 175.4125 27 T 4.4490 8.1032 114.4966 60.6025 69.9119 172.8066 28 F 4.9920 8.5080 121.6196 55.1302 44.1063 174.8752 29 W 5.3370 8.7276 121.2681 56.2468 26.8456 175.8428 30 V 4.1949 8.3907 121.3327 63.3644 32.3295 174.7417 31 H 3.7135 9.7209 127.4299 54.2563 29.7202 172.3062 32 P 4.1065 0.0000 0.0000 65.1979 32.1388 176.3062 33 K 4.7385 7.4028 122.2590 54.7087 33.4829 176.1423 34 A 3.8589 9.0144 122.1498 53.2318 16.4582 177.8692 35 T 3.7118 8.6484 113.2404 67.3142 67.2425 175.8145 36 K 3.9193 8.1692 118.5658 58.0179 30.6992 174.8907 37 T 3.8375 8.1310 126.6303 66.7173 68.7413 175.9682 38 E 4.4585 8.2509 121.8515 56.3828 28.7595 177.5665 39 I 4.2019 8.2779 113.3399 60.9009 38.9775 177.7169 40 K 3.7908 7.9469 121.6336 60.0998 32.4592 178.3351 41 N 4.6870 8.0208 113.5895 52.7205 36.8204 174.8961 42 A 4.6318 8.0332 118.0529 52.1104 20.8717 176.7510 43 V 3.9576 8.1779 115.2346 64.3632 33.5645 177.6665 44 E 3.9466 8.0663 117.1947 58.8607 29.3054 177.7545 45 T 4.5623 7.7846 108.2341 61.0619 69.1059 175.1546 46 A 4.5474 8.3113 121.6520 53.4499 23.2493 177.7248 47 F 4.4529 8.2351 111.9570 56.8317 41.0200 176.4248 48 K 4.3064 7.8277 115.4106 57.9199 29.3119 173.8706 49 V 4.3574 7.5527 131.4930 60.7796 32.4673 177.7830 50 K 4.9183 8.2163 117.6208 55.9937 34.2864 173.0269 51 V 4.5466 8.4937 126.2383 61.5185 33.6930 175.4568 52 V 4.3705 8.1759 122.1335 60.4941 31.5900 173.8573 53 K 4.4316 7.2293 119.9412 55.0340 33.3487 173.8315 54 V 5.3799 7.5385 121.6159 63.2354 34.5768 172.2025 55 N 5.1025 8.1730 119.1986 53.1266 42.1874 172.7027 56 T 4.7140 8.2643 109.3790 62.6898 71.6651 173.2410 57 L 4.2202 7.2122 120.7758 54.6118 47.9595 174.7350 58 H 4.9309 8.4250 122.6179 58.0063 33.1636 174.9577 59 V 3.9657 8.6174 121.1240 61.3253 39.0247 179.0879 60 R 3.1692 8.8549 123.1642 57.6951 28.3533 175.4637 61 G 3.8761 8.7432 111.1500 45.8725 0.0000 173.0583 62 K 4.5847 7.2129 123.1005 54.2951 34.3061 174.7921 63 K 4.6457 8.4022 120.5780 54.3403 35.3880 174.3374 64 K 4.7019 8.2697 119.1798 55.0274 35.0314 174.1405 65 R 4.0333 9.8061 121.5380 56.3182 30.6759 173.9856 66 L 4.2797 9.1166 131.1086 55.2623 41.5160 174.7914 67 G 4.3838 7.6881 102.0471 44.6421 0.0000 176.0673 68 R 5.0774 9.2492 119.8099 56.0355 32.5619 169.3770 69 Y 3.5003 8.4152 121.6069 57.7176 37.9313 168.9099 70 L 4.4399 8.6672 121.5865 55.2862 44.5260 178.0210 71 G 3.8203 8.7102 110.3900 46.1846 0.0000 172.6676 72 K 4.4126 8.8100 121.8245 58.7597 39.1003 176.4583 73 R 4.0757 8.1728 117.5360 54.0707 29.1100 172.8035 74 P 4.3761 0.0000 0.0000 64.2621 31.6354 176.3551 75 D 5.0631 7.6859 119.4594 54.7662 42.1055 175.5533 76 R 5.5222 7.9877 119.6240 56.3385 30.3189 172.7985 77 K 4.4269 7.6343 120.1581 55.5695 35.6110 173.6881 78 K 4.5603 8.5156 124.8521 56.7627 33.5880 175.3286 79 A 4.8792 8.2428 125.0703 50.7450 20.2725 176.7330 80 I 3.8630 8.5901 121.3808 61.3820 39.4833 174.3794 81 V 3.7336 7.9091 123.3937 61.9453 32.0574 171.0344 82 Q 4.1125 8.5695 126.9228 55.9222 29.3190 175.8486 83 V 3.7334 9.2106 113.6094 62.9910 31.7493 174.3296 84 A 4.2282 9.2956 127.8645 52.1177 16.3341 177.9057 85 P 4.1788 0.0000 0.0000 64.3057 31.7090 176.4270 86 G 3.8537 7.7929 106.3907 45.4846 0.0000 172.8609 87 Q 4.5043 8.6853 120.5623 55.8705 31.2551 170.6495 88 K 3.6787 9.1658 125.1203 57.1773 32.0280 176.0963 89 I 3.2642 8.4984 119.8539 62.1627 35.5179 174.6172 90 E 3.6744 8.2004 122.0539 59.1102 29.5573 178.0680 91 A 4.3882 7.8582 117.6908 52.5588 18.9529 176.8761 92 L 4.2613 7.6784 116.9813 54.4918 41.9386 175.6788 93 E 4.1753 9.0806 128.5907 56.5042 29.5036 175.4947 94 G 3.3771 7.9119 108.2269 48.0849 0.0000 173.9976 *95 L 4.1219 7.6622 124.4501 53.7076 41.6291 178.7081 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 8.17 4.34 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 4 A 8.03 4.41 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 5 Y 9.07 4.59 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.60 0.00 2.70 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 8.67 4.62 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 0.86 0.00 0.00 0.95 0.00 0.00 8 I 7.59 4.39 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.18 0.77 0.00 0.00 9 L 8.73 4.82 0.00 1.83 1.66 0.99 1.20 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 10 A 8.93 4.40 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.94 0.00 1.96 2.11 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 12 V 7.57 2.70 1.54 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 0.39 0.00 0.00 0.49 0.00 0.00 13 L 7.42 4.43 0.00 1.53 1.61 0.94 0.85 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 14 S 7.37 4.60 0.00 3.76 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 15 E 7.77 3.86 0.00 2.11 1.87 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 2.40 2.49 0.00 16 K 8.04 3.97 0.00 1.81 1.76 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.57 7.81 17 A 7.92 3.80 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 18 Y 6.25 2.00 0.00 2.77 2.33 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 19 A 9.09 4.12 1.35 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 20 G 8.09 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 0.00 0.00 0.00 21 F 8.70 4.50 0.00 3.08 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 22 A 7.56 4.29 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.35 0.00 1.87 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 2.22 2.28 0.00 24 G 9.48 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.71 3.98 0.00 1.74 1.81 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.15 0.65 7.81 26 Y 8.51 4.09 0.00 2.79 3.23 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 0.00 27 T 8.10 4.45 4.26 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 1.09 0.00 0.00 28 F 8.51 4.99 0.00 2.92 2.89 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 29 W 8.73 5.34 0.00 3.48 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.19 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 0.73 0.00 0.00 1.12 0.00 0.00 31 H 9.72 3.71 0.00 3.11 3.28 0.00 6.04 0.00 0.00 0.00 0.00 6.83 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 4.11 0.00 2.15 2.14 0.00 3.23 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 1.51 1.79 0.00 33 K 7.40 4.74 0.00 1.88 1.75 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.45 7.81 34 A 9.01 3.86 1.34 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 0.00 0.00 35 T 8.65 3.71 4.58 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 1.22 0.00 0.00 36 K 8.17 3.92 0.00 2.09 2.25 0.00 1.55 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.72 7.81 37 T 8.13 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 8.25 4.46 0.00 1.92 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 0.00 2.33 2.38 0.00 39 I 8.28 4.20 1.78 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 1.32 0.68 1.01 0.00 0.00 40 K 7.95 3.79 0.00 1.93 2.05 0.00 1.35 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 41 N 8.02 4.69 0.00 2.82 2.92 0.00 0.00 5.71 7.26 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 42 A 8.03 4.63 1.20 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 43 V 8.18 3.96 1.87 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 0.44 0.00 0.00 0.27 0.00 0.00 44 E 8.07 3.95 0.00 2.12 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 0.00 2.55 2.29 0.00 45 T 7.78 4.56 4.26 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 1.22 0.00 0.00 46 A 8.31 4.55 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 0.00 0.00 0.00 0.00 0.00 47 F 8.24 4.45 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.31 0.00 1.83 2.05 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.39 1.40 7.81 49 V 7.55 4.36 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 0.75 0.00 0.00 1.00 0.00 0.00 50 K 8.22 4.92 0.00 1.79 1.61 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.34 7.81 51 V 8.49 4.55 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 0.87 0.00 0.00 0.83 0.00 0.00 52 V 8.18 4.37 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 0.86 0.00 0.00 0.92 0.00 0.00 53 K 7.23 4.43 0.00 1.90 1.93 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 1.22 7.81 54 V 7.54 5.38 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 0.80 0.00 0.00 0.90 0.00 0.00 55 N 8.17 5.10 0.00 2.60 2.69 0.00 0.00 6.72 7.54 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 56 T 8.26 4.71 4.21 0.00 0.00 0.00 0.00 0.00 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 57 L 7.21 4.22 0.00 1.63 1.46 0.98 1.05 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 58 H 8.43 4.93 0.00 3.13 3.16 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 59 V 8.62 3.97 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 0.58 0.00 0.00 0.81 0.00 0.00 60 R 8.85 3.17 0.00 1.80 2.31 0.00 3.30 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 61 G 8.74 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 62 K 7.21 4.58 0.00 1.72 1.54 0.00 1.27 0.00 0.00 1.29 0.00 0.00 2.66 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.39 7.81 63 K 8.40 4.65 0.00 1.79 1.75 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 64 K 8.27 4.70 0.00 1.64 1.62 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.36 7.81 65 R 9.81 4.03 0.00 1.89 2.15 0.00 3.56 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 66 L 9.12 4.28 0.00 1.86 1.84 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.69 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 9.25 5.08 0.00 1.71 1.78 0.00 2.26 0.00 0.00 3.67 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.03 0.00 69 Y 8.42 3.50 0.00 3.10 2.94 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 70 L 8.67 4.44 0.00 1.72 1.65 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.71 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 72 K 8.81 4.41 0.00 1.76 1.81 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.14 1.34 7.81 73 R 8.17 4.08 0.00 2.19 2.47 0.00 2.84 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 74 P 0.00 4.38 0.00 1.95 2.04 0.00 3.51 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 1.62 1.56 0.00 75 D 7.69 5.06 0.00 2.53 2.69 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 0.00 0.00 0.00 0.00 76 R 7.99 5.52 0.00 2.61 2.81 0.00 3.37 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.52 0.00 77 K 7.63 4.43 0.00 1.87 1.72 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.30 7.81 78 K 8.52 4.56 0.00 2.03 1.93 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.50 1.37 7.81 79 A 8.24 4.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.36 0.98 0.00 0.00 81 V 7.91 3.73 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 0.76 0.00 0.00 0.87 0.00 0.00 82 Q 8.57 4.11 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 83 V 9.21 3.73 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 0.70 0.00 0.00 0.93 0.00 0.00 84 A 9.30 4.23 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 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.18 0.00 2.04 2.16 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 86 G 7.79 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 0.00 0.00 0.00 87 Q 8.69 4.50 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.06 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 88 K 9.17 3.68 0.00 2.10 1.87 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.52 7.81 89 I 8.50 3.26 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.31 1.07 0.00 0.00 90 E 8.20 3.67 0.00 2.16 1.94 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 2.30 2.10 0.00 91 A 7.86 4.39 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 92 L 7.68 4.26 0.00 1.68 1.67 0.98 0.94 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 93 E 9.08 4.18 0.00 2.10 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 0.00 2.20 2.25 0.00 94 G 7.91 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 L 7.66 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.