NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6057 8.3531 120.3256 54.0049 40.0374 176.7526 5 G 3.7347 9.0135 107.0298 45.1905 0.0000 170.8728 6 Y 4.5681 8.5063 119.7055 56.9315 38.8639 173.7606 7 F 4.2683 9.0743 124.1107 58.1531 39.8803 175.9334 8 E 4.8240 7.9767 118.7562 53.2287 32.3594 173.9402 9 P 4.2413 0.0000 0.0000 62.9223 32.2909 177.6355 10 T 3.4985 8.4260 113.0179 64.6777 68.4784 175.8880 11 Q 4.0998 7.8596 117.8402 57.7419 28.8240 176.2010 12 E 4.4493 8.0621 117.4585 56.1351 29.9815 175.5638 13 L 4.8405 7.3713 118.8670 52.4398 44.5280 177.1365 14 S 4.4477 8.2913 116.2842 58.0919 65.2973 174.8991 15 D 4.3922 8.7274 122.3966 57.6576 40.2523 178.9708 16 E 4.0065 8.1067 118.3391 59.8081 29.8980 178.6112 17 T 4.1099 7.9024 114.3567 66.6837 68.7654 176.7058 18 R 4.3739 8.4485 120.3425 58.9965 30.2361 179.3949 19 D 4.6193 8.7101 118.3598 54.6174 40.7893 178.0207 *21 H 4.6593 8.1846 120.6940 56.3468 31.8889 175.0574 22 R 3.7128 8.3934 118.4361 59.2949 29.7819 178.9218 23 A 3.7773 7.7647 119.8570 55.1391 18.4481 179.6581 24 I 3.5959 7.6456 117.7099 64.6596 37.2862 178.2910 25 I 3.5198 7.6801 119.3138 64.2161 37.6433 178.0539 26 S 4.0518 7.9202 115.9073 61.4027 62.5701 176.4158 27 L 3.9555 7.9805 122.9735 58.2992 41.8350 179.0857 28 R 3.9023 8.6673 118.4323 59.4400 29.9472 178.8838 29 E 4.0024 8.1330 118.2657 59.1501 29.5390 178.9949 30 E 4.0151 8.5834 119.1374 59.3418 29.5403 179.4398 31 L 3.9614 8.2635 119.3187 57.7887 41.7039 179.0045 32 E 3.8989 8.3567 119.0993 59.4141 29.4252 178.7795 33 A 3.8351 8.1638 120.6667 54.8896 18.2820 179.6157 34 V 3.6074 7.7371 116.8624 66.3835 31.7306 177.5194 35 D 4.3555 8.1494 117.5379 57.5974 40.9248 178.5500 36 L 3.9812 7.9684 119.2247 57.9518 41.7086 179.0053 37 Y 4.2675 8.2210 117.0549 60.9950 37.8532 178.1290 38 N 4.3333 8.6290 117.9021 56.6491 38.7121 177.4206 39 Q 4.0083 8.0138 118.8532 59.1934 28.8592 179.1315 40 R 4.0051 8.2814 119.1609 58.9532 29.7856 179.3724 41 V 3.5825 8.1715 117.9737 65.9598 31.6510 177.1917 42 N 4.4066 7.8274 114.7171 56.6107 38.9462 176.0824 43 A 4.2796 7.7651 119.3700 52.4298 19.4997 177.2820 44 C 4.2406 7.4637 117.8922 59.5256 32.3579 173.1948 45 K 4.2274 8.5160 125.3131 58.6334 32.8556 177.4110 46 D 4.4094 7.8662 118.3793 54.0741 42.1414 176.7504 47 K 3.9777 8.7034 126.7960 59.5258 32.1598 179.0882 48 E 3.9328 8.1915 118.3241 59.3234 29.4365 178.8559 49 L 3.9217 8.0747 120.2562 58.1173 42.0540 178.7680 50 K 3.8597 8.2282 119.2584 59.5233 31.9895 178.4602 51 A 3.9641 8.1167 120.8423 55.3808 18.3561 179.7179 52 I 3.6243 7.9211 118.3465 64.4312 37.0969 178.7681 53 L 3.6886 8.3273 120.1472 57.5226 41.4682 179.3863 54 A 3.9095 8.2644 121.1928 55.3727 18.1937 179.2076 55 H 4.0614 8.3997 116.9993 59.2444 29.7886 177.4050 56 N 4.0819 7.9255 118.3918 56.1038 38.1162 177.2209 57 R 3.9290 6.9613 118.7455 59.6245 30.4055 178.0168 58 D 4.4407 7.9274 118.3812 57.3699 40.8145 178.3050 59 E 3.8709 7.6868 119.1783 59.7973 29.4246 179.4977 60 E 3.9045 8.3811 118.4878 59.0208 29.4269 179.4011 61 K 3.9202 7.9903 118.8915 59.3659 31.8663 178.6533 62 E 3.9387 8.0659 117.8918 59.6658 29.6435 177.9755 63 H 4.3302 7.6105 114.5499 59.0177 29.1452 176.9095 64 A 4.2536 8.1809 122.0429 55.3534 18.0199 180.5601 65 A 3.9238 7.8728 116.1356 52.9200 18.3654 179.2953 *67 L 4.2813 7.8906 122.7914 56.3055 43.8169 179.0713 68 L 4.3034 7.9636 119.1945 57.2900 41.9092 178.4747 69 E 4.0532 8.1283 119.9942 58.9768 29.3891 178.2595 70 W 4.0917 8.3164 127.0970 60.4390 31.2000 177.6443 71 I 3.8952 7.9534 119.5702 64.3842 36.5662 178.6436 72 R 4.1908 8.1512 117.0315 59.4742 29.1453 178.8290 73 R 3.9064 7.9500 118.1214 57.9875 29.9655 177.0033 74 C 4.5803 7.2761 111.1468 56.9830 30.1837 174.1633 75 D 4.5981 8.2012 120.0393 51.9613 42.6788 173.7843 76 P 4.4758 0.0000 0.0000 65.0010 29.9886 178.2930 77 A 4.1122 8.2039 119.2750 54.3033 18.2693 178.7489 78 F 4.7813 8.1923 118.5897 60.5543 40.0306 177.2148 79 D 4.2566 8.7857 118.2773 57.0097 40.8367 178.6341 80 K 3.9144 8.0092 119.3562 59.9767 32.7979 178.9408 81 E 3.9805 7.4179 119.4599 59.0043 29.3494 179.3559 82 L 3.8589 7.5350 118.7801 57.7368 41.4149 179.5529 83 K 3.8625 7.6409 117.2001 59.7543 32.0580 178.7999 84 D 4.2835 7.8385 117.7735 57.3223 40.8252 177.7031 85 Y 4.3449 7.5108 114.8542 58.6820 38.9802 176.4287 86 L 3.9106 7.7176 121.3325 55.7899 42.6918 176.1297 87 F 3.8751 8.0957 122.7356 58.9390 36.2696 174.9177 88 T 4.6466 7.8868 108.9636 60.2671 71.0906 173.2120 89 N 4.8160 8.3713 117.0422 53.5150 40.3494 176.1544 90 K 3.9664 7.9767 116.9206 55.6347 32.6135 174.7310 91 P 4.2879 0.0000 0.0000 62.9570 31.6337 176.3179 92 I 3.8221 8.8418 124.6006 63.3772 37.3358 175.9283 93 A 4.1291 8.0733 125.7734 52.6526 18.5750 176.2600 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 4 D 8.35 4.61 0.00 2.79 2.44 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 5 G 9.01 3.73 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 0.00 0.00 0.00 6 Y 8.51 4.57 0.00 2.94 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 7 F 9.07 4.27 0.00 2.99 3.19 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 8 E 7.98 4.82 0.00 1.99 1.86 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 2.31 2.29 0.00 9 P 0.00 4.24 0.00 2.13 1.94 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 10 T 8.43 3.50 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 -0.05 0.00 0.00 11 Q 7.86 4.10 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 12 E 8.06 4.45 0.00 2.10 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 0.00 2.27 2.24 0.00 13 L 7.37 4.84 0.00 1.68 1.60 1.05 0.70 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 14 S 8.29 4.45 0.00 4.08 4.02 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 0.00 0.00 0.00 0.00 15 D 8.73 4.39 0.00 2.75 2.83 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 16 E 8.11 4.01 0.00 2.02 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 2.34 2.47 0.00 17 T 7.90 4.11 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 1.29 0.00 0.00 18 R 8.45 4.37 0.00 1.95 2.15 0.00 3.29 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 19 D 8.71 4.62 0.00 2.88 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 *21 H 8.18 4.66 0.00 3.26 3.58 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.39 3.71 0.00 1.96 1.82 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 23 A 7.76 3.78 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 24 I 7.65 3.60 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.82 0.85 0.00 0.00 25 I 7.68 3.52 1.61 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.28 0.77 0.00 0.00 26 S 7.92 4.05 0.00 3.89 3.84 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 0.00 0.00 0.00 0.00 27 L 7.98 3.96 0.00 1.79 1.92 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.67 3.90 0.00 1.96 1.95 0.00 3.13 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 29 E 8.13 4.00 0.00 2.19 1.97 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 2.30 2.31 0.00 30 E 8.58 4.02 0.00 1.97 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 2.53 2.55 0.00 31 L 8.26 3.96 0.00 1.81 1.72 0.93 0.83 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 32 E 8.36 3.90 0.00 2.09 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 2.26 2.31 0.00 33 A 8.16 3.84 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 34 V 7.74 3.61 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 1.10 0.00 0.00 1.00 0.00 0.00 35 D 8.15 4.36 0.00 2.84 2.86 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 36 L 7.97 3.98 0.00 1.52 1.52 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.22 4.27 0.00 3.23 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 38 N 8.63 4.33 0.00 3.13 2.91 0.00 0.00 7.01 7.16 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 39 Q 8.01 4.01 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 40 R 8.28 4.01 0.00 2.07 2.05 0.00 3.10 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 41 V 8.17 3.58 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 0.80 0.00 0.00 1.03 0.00 0.00 42 N 7.83 4.41 0.00 2.93 3.03 0.00 0.00 7.24 7.62 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 43 A 7.77 4.28 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 44 C 7.46 4.24 0.00 3.29 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 45 K 8.52 4.23 0.00 1.78 1.84 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.36 7.81 46 D 7.87 4.41 0.00 2.71 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 47 K 8.70 3.98 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 48 E 8.19 3.93 0.00 2.30 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 2.39 2.42 0.00 49 L 8.07 3.92 0.00 1.79 1.83 0.95 0.63 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 50 K 8.23 3.86 0.00 1.98 1.92 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.60 7.81 51 A 8.12 3.96 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 52 I 7.92 3.62 1.97 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 1.50 1.00 0.90 0.00 0.00 53 L 8.33 3.69 0.00 1.83 1.76 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.26 3.91 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 55 H 8.40 4.06 0.00 3.21 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.93 4.08 0.00 1.92 2.37 0.00 0.00 6.60 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 57 R 6.96 3.93 0.00 1.84 2.06 0.00 3.53 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 58 D 7.93 4.44 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 59 E 7.69 3.87 0.00 1.96 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 0.00 2.28 2.29 0.00 60 E 8.38 3.90 0.00 1.99 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 2.67 2.69 0.00 61 K 7.99 3.92 0.00 2.06 1.87 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.56 7.81 62 E 8.07 3.94 0.00 1.96 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 0.00 2.37 2.45 0.00 63 H 7.61 4.33 0.00 3.38 3.35 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.18 4.25 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 65 A 7.87 3.92 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 *67 L 7.89 4.28 0.00 1.97 1.82 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.96 4.30 0.00 2.04 1.78 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.13 4.05 0.00 2.17 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 2.37 2.43 0.00 70 W 8.32 4.09 0.00 3.40 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.90 2.19 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.54 0.90 0.00 0.00 72 R 8.15 4.19 0.00 2.08 2.32 0.00 3.00 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 73 R 7.95 3.91 0.00 1.81 1.89 0.00 3.09 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 74 C 7.28 4.58 0.00 2.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.60 0.00 2.69 2.70 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 0.00 0.00 0.00 76 P 0.00 4.48 0.00 2.20 2.07 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 77 A 8.20 4.11 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 78 F 8.19 4.78 0.00 3.28 3.22 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 79 D 8.79 4.26 0.00 2.96 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 80 K 8.01 3.91 0.00 2.04 2.16 0.00 1.38 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.49 7.81 81 E 7.42 3.98 0.00 1.97 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 2.63 2.64 0.00 82 L 7.53 3.86 0.00 1.50 1.61 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.64 3.86 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.82 7.81 84 D 7.84 4.28 0.00 2.41 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 0.00 0.00 0.00 0.00 85 Y 7.51 4.34 0.00 2.95 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 86 L 7.72 3.91 0.00 1.79 1.65 0.58 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.10 3.88 0.00 3.23 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 88 T 7.89 4.65 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 1.35 0.00 0.00 89 N 8.37 4.82 0.00 2.72 2.90 0.00 0.00 6.90 7.61 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 90 K 7.98 3.97 0.00 1.75 1.76 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.46 7.81 91 P 0.00 4.29 0.00 2.06 2.04 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 92 I 8.84 3.82 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.81 0.00 0.00 93 A 8.07 4.13 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 * Residues marked with a * may have inaccurate shift predictions.