NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0674 7.9133 120.3923 63.0733 33.7650 177.4024 3 R 3.7584 7.9263 118.2269 57.5588 29.9292 174.1058 4 V 3.6325 8.5342 119.7127 64.9684 31.7303 177.6858 5 D 4.3668 8.0045 119.3469 57.1145 40.8855 178.6020 6 Q 4.0904 8.4058 118.3506 59.2012 28.7124 178.1530 7 N 4.4702 8.5697 118.9152 56.0537 38.4497 177.3694 8 L 4.1924 7.8478 120.4240 57.7038 41.5108 179.2735 9 F 4.0320 8.3290 119.6633 61.3694 39.4402 176.4830 10 N 4.5314 8.5775 115.2390 56.5420 38.6180 176.9328 11 E 4.2506 8.3176 119.8449 59.2085 29.4408 180.2653 12 V 3.6607 7.7864 115.7079 63.6096 31.3244 176.9417 *14 Y 4.5671 7.8269 119.3898 57.1234 40.4796 177.1029 15 L 3.6863 8.2709 119.9647 57.6069 41.5322 179.5139 16 L 3.8828 8.2007 119.4815 57.5414 41.2684 179.0078 17 D 4.2038 7.7801 116.6806 57.3356 41.6680 177.5197 18 E 3.9263 7.9400 119.3095 59.4061 29.4381 179.1984 19 L 3.9119 7.9680 120.5482 58.1139 41.9309 179.1555 20 S 4.3290 8.1184 113.0955 60.6240 62.9133 175.4070 21 Q 4.6480 7.4242 119.0985 54.5728 29.1336 174.8808 22 D 4.5858 7.6668 122.1960 52.7868 40.5757 176.8389 23 I 3.9553 8.2415 120.8181 62.6848 37.8386 176.7195 24 T 4.2960 8.3254 110.9344 61.9782 69.1732 174.7158 25 V 4.4277 7.0809 115.0267 58.7295 34.6075 174.3222 26 P 4.4241 0.0000 0.0000 62.0426 33.1487 177.3876 27 K 3.7873 8.7119 121.2361 60.1685 31.9578 178.7351 28 N 4.3535 8.0664 116.3694 55.7728 37.2345 177.3142 29 V 3.5439 7.6484 120.2483 65.8298 31.6506 177.9670 30 R 3.8613 7.8857 117.8399 59.1646 29.8050 178.9858 31 K 3.9027 8.1798 119.4049 59.4622 32.1437 179.0686 32 V 3.5317 7.9570 118.3796 65.8208 31.4281 177.8451 33 A 3.9255 8.1840 120.7308 55.0051 18.3272 179.1517 34 Q 3.8794 8.2725 118.3369 59.7855 29.1212 178.7091 35 D 4.4032 8.3823 119.8774 57.2554 40.6898 179.0642 36 S 4.1268 8.4578 116.6065 61.4130 62.6470 176.8211 37 K 3.9297 7.9718 120.0999 59.6169 32.6942 178.8742 38 A 4.1218 7.9411 122.0014 54.7976 18.2965 179.4858 39 K 3.9078 8.2228 118.2274 59.7417 32.1362 179.1206 40 L 4.2639 8.0795 117.8935 57.2251 41.4958 178.5598 41 S 4.7390 7.4533 113.0810 58.3560 64.3440 175.5746 42 Q 4.4459 7.9172 123.3808 55.0901 25.3936 177.1149 43 E 4.1887 7.8690 113.9505 56.5463 29.5536 178.0826 44 N 4.6862 8.2446 114.6457 53.1428 38.1001 174.2338 45 E 4.7818 7.6821 118.5478 54.0687 32.6094 176.5836 46 S 4.2605 8.3294 116.4626 58.4370 64.9175 175.3604 47 L 3.9639 8.4987 125.2492 58.2913 41.8861 178.9163 48 D 4.3772 8.1822 118.6650 57.2540 40.7691 178.4518 49 L 3.9234 7.8638 120.3496 58.2492 42.2035 178.8831 50 R 3.9639 8.0810 118.0885 59.8503 30.0844 178.8086 51 C 4.1926 8.4738 116.1581 62.6892 28.0926 176.0559 52 A 4.0220 8.0295 122.3656 55.4680 17.7596 179.8759 53 T 3.8088 7.7429 113.0599 66.7733 68.6252 176.8353 54 V 3.7292 7.6700 118.8683 65.9586 31.7699 177.5292 55 L 4.1878 8.4038 119.1785 57.8518 41.3989 179.9662 56 S 4.3996 7.8982 109.5112 59.1457 61.8244 175.5545 *58 L 4.2130 7.8291 121.5831 54.3303 43.8091 177.7651 59 D 4.4630 8.4057 118.1657 57.5008 40.9908 178.6499 60 E 3.8823 8.1570 115.4537 57.2959 29.1824 178.6140 *62 A 3.7931 7.9466 123.5070 51.9228 20.2193 178.0605 63 N 4.6472 7.8203 110.3832 53.2191 39.1678 174.5206 64 D 4.5385 7.5310 120.5575 52.6979 41.3360 175.2268 65 P 4.4229 0.0000 0.0000 65.0285 31.4701 176.9644 66 N 4.4855 8.5884 116.1885 54.6111 38.8115 175.4462 67 V 3.7622 7.4859 119.7061 61.4300 32.3123 174.6280 68 P 4.4516 0.0000 0.0000 62.2901 33.3667 177.0193 69 A 4.0013 8.6328 121.5359 55.9841 18.2725 179.9564 70 H 4.3263 8.3128 113.0290 58.7364 28.5446 177.9353 71 G 3.4412 7.5747 108.0142 47.3601 0.0000 175.8032 72 R 3.6549 8.0078 120.3836 59.3873 29.9989 179.2387 73 T 4.0790 7.9646 115.4239 66.8002 68.5456 176.3792 74 D 4.3628 8.1931 120.7576 57.3048 40.7242 178.9341 75 L 3.9028 8.0044 119.5435 58.1050 41.5582 179.2198 76 Y 4.3822 8.1295 117.0029 61.2877 37.7418 178.8257 77 T 3.9138 8.3608 117.1471 66.7146 68.5216 176.7557 78 I 3.7165 7.6323 121.1174 64.4115 37.1056 178.3766 79 I 3.7147 8.0697 120.9974 64.8209 36.8591 178.7044 80 S 4.1715 8.4290 115.9075 61.4103 62.6018 176.9649 81 K 4.0558 8.0197 120.9186 59.2932 31.7823 179.3869 82 L 4.0663 8.1823 119.4787 57.9126 41.3218 179.3976 83 E 4.0047 8.3330 117.2689 58.8352 29.4680 178.7299 84 A 4.1849 7.5293 120.5937 54.5834 18.5867 179.0026 85 L 4.1302 7.7924 118.4261 58.0255 42.3159 177.4502 86 S 4.4524 8.2314 118.9774 58.9514 62.9696 174.0061 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 V 7.91 4.07 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 1.04 0.00 0.00 0.92 0.00 0.00 3 R 7.93 3.76 0.00 1.98 1.97 0.00 3.19 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 4 V 8.53 3.63 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 0.91 0.00 0.00 0.95 0.00 0.00 5 D 8.00 4.37 0.00 2.72 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 6 Q 8.41 4.09 0.00 2.30 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.65 2.43 0.00 7 N 8.57 4.47 0.00 2.77 2.93 0.00 0.00 6.92 7.53 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 8 L 7.85 4.19 0.00 1.88 1.77 0.99 1.39 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 9 F 8.33 4.03 0.00 3.11 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 10 N 8.58 4.53 0.00 2.89 2.92 0.00 0.00 7.13 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 11 E 8.32 4.25 0.00 2.21 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 2.42 0.00 12 V 7.79 3.66 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 0.92 0.00 0.00 0.98 0.00 0.00 *14 Y 7.83 4.57 0.00 3.09 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 15 L 8.27 3.69 0.00 1.65 1.63 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.20 3.88 0.00 1.63 1.63 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.78 4.20 0.00 2.58 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 18 E 7.94 3.93 0.00 1.82 1.78 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 1.52 1.69 0.00 19 L 7.97 3.91 0.00 1.75 1.72 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.12 4.33 0.00 4.02 4.05 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 0.00 0.00 0.00 21 Q 7.42 4.65 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 22 D 7.67 4.59 0.00 2.82 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 23 I 8.24 3.96 1.86 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 1.46 0.57 0.90 0.00 0.00 24 T 8.33 4.30 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 1.20 0.00 0.00 25 V 7.08 4.43 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 0.64 0.00 0.00 0.96 0.00 0.00 26 P 0.00 4.42 0.00 2.33 1.94 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 27 K 8.71 3.79 0.00 1.80 1.82 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.52 7.81 28 N 8.07 4.35 0.00 2.93 3.04 0.00 0.00 5.86 7.68 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 29 V 7.65 3.54 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 1.07 0.00 0.00 0.87 0.00 0.00 30 R 7.89 3.86 0.00 2.04 2.06 0.00 3.37 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 31 K 8.18 3.90 0.00 1.85 1.94 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 32 V 7.96 3.53 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 0.99 0.00 0.00 0.94 0.00 0.00 33 A 8.18 3.93 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 34 Q 8.27 3.88 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 35 D 8.38 4.40 0.00 2.82 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 36 S 8.46 4.13 0.00 3.96 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 37 K 7.97 3.93 0.00 1.87 1.88 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.74 1.43 7.81 38 A 7.94 4.12 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 39 K 8.22 3.91 0.00 1.97 1.99 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 40 L 8.08 4.26 0.00 1.65 1.86 0.76 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.45 4.74 0.00 4.05 3.93 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 42 Q 7.92 4.45 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 7.17 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 43 E 7.87 4.19 0.00 1.96 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 2.31 2.56 0.00 44 N 8.24 4.69 0.00 2.83 2.92 0.00 0.00 6.10 7.66 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 45 E 7.68 4.78 0.00 1.98 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 2.20 0.00 46 S 8.33 4.26 0.00 4.04 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 47 L 8.50 3.96 0.00 1.74 1.69 0.97 1.19 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 48 D 8.18 4.38 0.00 2.73 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 49 L 7.86 3.92 0.00 1.80 1.88 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.08 3.96 0.00 2.11 2.05 0.00 3.39 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 51 C 8.47 4.19 0.00 3.16 3.02 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 52 A 8.03 4.02 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 53 T 7.74 3.81 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 1.22 0.00 0.00 54 V 7.67 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 0.82 0.00 0.00 1.05 0.00 0.00 55 L 8.40 4.19 0.00 1.92 1.73 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.90 4.40 0.00 3.91 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 *58 L 7.83 4.21 0.00 1.68 1.71 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.41 4.46 0.00 2.78 2.84 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 60 E 8.16 3.88 0.00 2.07 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 2.33 2.49 0.00 *62 A 7.95 3.79 0.98 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 0.00 0.00 63 N 7.82 4.65 0.00 2.76 2.86 0.00 0.00 6.96 7.34 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 64 D 7.53 4.54 0.00 2.47 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 65 P 0.00 4.42 0.00 2.21 2.16 0.00 3.80 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 1.98 1.98 0.00 66 N 8.59 4.49 0.00 2.82 2.89 0.00 0.00 6.92 7.31 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 67 V 7.49 3.76 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 0.69 0.00 0.00 0.92 0.00 0.00 68 P 0.00 4.45 0.00 2.28 2.16 0.00 3.69 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 1.85 2.15 0.00 69 A 8.63 4.00 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 70 H 8.31 4.33 0.00 3.37 3.57 0.00 5.46 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.57 3.44 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 0.00 72 R 8.01 3.65 0.00 1.98 1.80 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 73 T 7.96 4.08 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 1.28 0.00 0.00 74 D 8.19 4.36 0.00 2.80 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 75 L 8.00 3.90 0.00 1.52 1.48 0.77 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.13 4.38 0.00 3.12 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 77 T 8.36 3.91 4.44 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 1.24 0.00 0.00 78 I 7.63 3.72 1.97 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 1.49 0.66 0.88 0.00 0.00 79 I 8.07 3.71 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.99 0.00 0.00 80 S 8.43 4.17 0.00 4.07 3.93 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 81 K 8.02 4.06 0.00 1.95 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.66 7.81 82 L 8.18 4.07 0.00 1.85 1.75 0.92 0.97 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 83 E 8.33 4.00 0.00 1.96 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 2.57 0.00 84 A 7.53 4.18 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 85 L 7.79 4.13 0.00 1.81 2.01 1.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.23 4.45 0.00 3.89 3.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.