NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4242 8.3349 115.4199 58.4188 63.7159 173.3120 16 I 4.2860 8.5509 122.2967 58.7901 38.2636 173.3402 17 R 4.5358 9.5082 126.8967 54.1944 32.7418 174.5926 18 L 3.3522 8.2327 125.4872 53.0922 42.5879 175.3315 19 P 4.3513 0.0000 0.0000 62.2308 32.4779 177.0464 20 A 3.9472 8.8658 123.0772 55.8948 18.0983 179.5350 21 H 4.4708 8.2646 107.8039 57.1576 28.9465 175.5721 22 L 4.4269 7.8476 119.6284 54.6253 42.7395 177.6034 23 R 4.3257 7.7396 116.7919 56.6845 29.9381 176.5774 24 L 4.5296 7.3573 117.5702 53.3508 42.9677 176.6042 25 Q 3.9319 8.5816 118.8962 55.5432 29.1709 176.4111 26 P 2.0000 0.0000 0.0000 64.6329 31.3000 178.3509 27 I 3.3375 7.0311 116.7272 63.1765 37.8509 175.6237 28 Y 4.7518 7.4260 116.2280 57.5974 38.3348 175.7259 29 W 4.7443 8.1472 122.6801 56.4905 29.9333 176.6145 30 S 4.8625 9.2364 118.8075 57.4398 65.2495 175.4274 31 R 3.9988 8.4443 120.6517 59.5816 29.6383 177.6957 32 D 4.3732 8.0993 117.5342 57.3091 41.2724 177.6829 33 D 4.2107 8.2330 119.5744 57.2964 40.8000 178.9016 34 V 3.7230 8.0275 118.4371 66.0582 31.5726 177.9500 35 A 4.1442 8.1495 120.5013 55.3892 18.1471 179.6750 36 Q 4.0188 8.4759 116.9093 58.6933 28.7463 178.7141 37 W 4.1793 8.4689 129.9622 60.4140 30.6283 177.9892 38 L 3.5792 8.1772 119.1873 57.4762 41.1677 179.6514 39 K 3.9426 8.0488 118.7392 59.7270 32.4939 178.9953 40 W 4.0530 8.5875 129.8232 60.0476 30.5868 177.8055 41 A 3.6610 8.5259 121.1217 54.8901 17.2320 179.0508 42 E 3.7697 8.1745 117.9882 59.4560 29.4455 178.7486 43 N 4.1672 7.7873 116.3574 56.5965 38.8529 176.4539 44 E 3.3544 7.6863 120.1455 58.5435 29.5517 177.3804 45 F 4.3933 8.0019 114.0444 56.2316 39.5662 175.7406 46 S 3.6703 7.3435 115.4499 59.5102 60.6267 172.4566 47 L 4.3818 7.7472 118.2224 53.7935 42.7432 177.9952 48 R 4.0485 8.2091 119.3377 55.2713 30.6141 175.1026 49 P 4.5060 0.0000 0.0000 62.7171 31.6559 175.7565 50 I 4.3343 8.6348 124.6360 59.2890 38.7379 175.4348 51 D 4.4983 8.4633 125.0883 53.9640 41.7061 177.1348 52 S 4.2897 8.6720 119.8308 60.4839 63.2522 174.4668 53 N 4.8642 8.6564 118.0600 52.8598 37.3161 175.9755 54 T 3.7336 7.6810 117.4484 66.6366 68.4704 174.7043 55 F 4.7032 7.6523 118.9778 55.8033 39.8263 172.8564 56 E 4.2349 8.2810 122.9067 54.7846 28.5068 175.9665 *58 N 4.8236 8.1034 122.0398 52.2255 40.0367 175.1111 59 G 3.5745 8.7803 106.6164 47.8388 0.0000 175.6893 60 K 3.8047 7.9990 120.3608 59.1917 32.4440 178.3073 61 A 4.1321 7.8940 120.5279 55.0821 18.5581 178.9932 62 L 3.9554 8.1069 118.9627 58.4850 41.8819 179.0652 63 L 4.0909 7.8054 117.1148 56.7434 41.5765 178.5533 64 L 4.2975 7.8081 118.0907 55.3283 42.1879 177.2784 65 L 4.4660 7.2744 118.4745 54.8352 42.3961 177.2405 66 T 4.5142 8.9753 113.0215 60.3269 71.9755 175.9959 67 K 3.0628 7.7391 121.1210 59.1126 31.9719 178.1241 68 E 3.7927 7.9689 119.2430 59.3006 29.5757 178.3354 69 D 4.6439 8.2046 118.9414 57.6234 40.8486 178.8140 70 F 4.3638 8.6274 118.3062 60.7354 38.6839 177.9961 71 R 3.9814 8.2285 117.8053 59.3967 29.5939 178.7231 72 Y 4.3527 7.8456 115.7555 61.2404 37.9539 178.4456 73 R 4.1806 8.1261 118.0810 57.5364 31.3769 176.7859 74 S 4.5485 8.3216 113.5423 55.0462 62.4324 172.0260 75 P 4.4125 0.0000 0.0000 64.2938 31.5984 177.4616 76 H 4.6437 8.0638 113.8289 57.4820 29.3629 176.0932 77 S 5.0938 7.7881 112.3848 56.2207 64.9191 175.9013 78 G 3.9408 8.6622 110.6543 48.2738 0.0000 176.0613 79 D 4.4234 8.1194 120.9352 57.0332 40.8214 178.4491 80 E 3.9074 8.2013 118.5162 59.5310 29.5524 179.3651 81 L 4.1139 8.3425 119.1451 57.9302 41.7551 178.9845 82 Y 3.1642 8.4928 119.7333 60.6219 38.6404 178.0392 83 E 3.9356 8.6200 119.7573 58.9723 29.4225 179.0948 84 L 3.9468 8.2151 121.0282 58.0320 42.1146 178.7428 85 L 3.8387 8.2204 120.3321 58.2056 41.9608 178.9771 86 Q 3.7214 7.7444 117.9994 59.0144 28.4980 178.2350 87 H 4.0986 8.4611 119.4829 59.3483 29.8707 177.3826 88 I 3.7202 8.0351 121.7347 64.3801 36.8661 178.4302 89 L 3.7911 7.9458 119.9601 57.5505 41.3723 179.4967 90 K 3.8758 8.0721 119.6364 59.3789 32.0229 178.6597 91 Q 3.9286 8.2462 120.1375 59.3194 28.9874 178.5274 92 R 3.9437 8.1800 119.2545 59.1454 30.0391 178.4925 93 D 4.3645 8.2864 118.0278 57.6296 41.2214 177.8546 94 H 4.1559 8.4449 118.7747 59.5536 29.6680 176.5501 95 H 4.1695 8.3878 119.1779 59.6617 29.7377 176.3533 96 H 4.3967 8.2602 116.1105 57.0790 28.9185 175.6456 97 H 4.7484 7.8849 115.5587 55.4535 29.7176 173.8409 98 H 4.5797 7.7867 115.6944 54.5810 29.9809 175.1447 99 H 4.4897 8.3485 115.6815 56.0995 28.7155 175.5716 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 15 S 8.33 4.42 0.00 4.08 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 16 I 8.55 4.29 2.13 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.90 1.46 0.00 0.00 17 R 9.51 4.54 0.00 1.79 1.90 0.00 3.28 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 18 L 8.23 3.35 0.00 1.45 1.10 1.03 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.35 0.00 2.13 2.16 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 20 A 8.87 3.95 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 21 H 8.26 4.47 0.00 3.24 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.85 4.43 0.00 1.37 1.27 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.74 4.33 0.00 1.95 1.93 0.00 3.12 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 24 L 7.36 4.53 0.00 1.95 1.83 0.98 0.90 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 25 Q 8.58 3.93 0.00 1.95 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 26 P 0.00 2.00 0.00 1.32 0.49 0.00 3.09 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.64 0.00 27 I 7.03 3.34 1.46 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 -0.06 0.00 0.00 28 Y 7.43 4.75 0.00 3.17 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 29 W 8.15 4.74 0.00 3.37 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 30 S 9.24 4.86 0.00 4.09 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 0.00 31 R 8.44 4.00 0.00 1.97 2.02 0.00 3.24 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 32 D 8.10 4.37 0.00 2.85 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 33 D 8.23 4.21 0.00 3.00 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 0.00 0.00 0.00 0.00 34 V 8.03 3.72 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 1.32 0.00 0.00 1.24 0.00 0.00 35 A 8.15 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 4.02 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 37 W 8.47 4.18 0.00 2.60 3.28 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 0.00 38 L 8.18 3.58 0.00 1.98 1.69 1.21 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.05 3.94 0.00 2.00 2.26 0.00 1.51 0.00 0.00 2.00 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.64 7.81 40 W 8.59 4.05 0.00 3.43 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.53 3.66 1.04 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 0.00 0.00 0.00 0.00 0.00 42 E 8.17 3.77 0.00 2.06 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 2.26 2.40 0.00 43 N 7.79 4.17 0.00 2.72 2.72 0.00 0.00 6.89 7.48 0.00 0.00 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 E 7.69 3.35 0.00 1.16 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 1.47 1.47 0.00 45 F 8.00 4.39 0.00 3.05 2.99 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 46 S 7.34 3.67 0.00 3.93 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 47 L 7.75 4.38 0.00 1.62 1.59 0.86 0.76 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 48 R 8.21 4.05 0.00 1.74 1.80 0.00 3.27 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 49 P 0.00 4.51 0.00 2.01 2.02 0.00 3.67 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 50 I 8.63 4.33 1.86 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 1.19 0.69 0.94 0.00 0.00 51 D 8.46 4.50 0.00 2.66 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 52 S 8.67 4.29 0.00 4.04 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 53 N 8.66 4.86 0.00 3.00 2.93 0.00 0.00 6.97 7.65 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 54 T 7.68 3.73 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 55 F 7.65 4.70 0.00 3.03 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 56 E 8.28 4.23 0.00 1.99 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 2.32 2.47 0.00 *58 N 8.10 4.82 0.00 3.27 3.10 0.00 0.00 6.02 6.92 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 59 G 8.78 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.80 0.00 1.70 1.84 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 61 A 7.89 4.13 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 62 L 8.11 3.96 0.00 1.90 1.81 0.47 0.30 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 63 L 7.81 4.09 0.00 1.73 1.60 0.64 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.81 4.30 0.00 1.83 1.76 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.27 4.47 0.00 2.24 2.00 1.17 0.99 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 66 T 8.98 4.51 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 1.26 0.00 0.00 67 K 7.74 3.06 0.00 0.79 1.37 0.00 1.38 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.21 0.82 7.81 68 E 7.97 3.79 0.00 1.99 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 2.47 2.14 0.00 69 D 8.20 4.64 0.00 3.24 2.92 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 0.00 0.00 0.00 70 F 8.63 4.36 0.00 3.36 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 R 8.23 3.98 0.00 1.83 1.82 0.00 2.98 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 72 Y 7.85 4.35 0.00 3.16 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 73 R 8.13 4.18 0.00 1.55 1.37 0.00 3.15 0.00 0.00 2.67 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 74 S 8.32 4.55 0.00 3.79 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 75 P 0.00 4.41 0.00 1.92 2.04 0.00 3.74 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 76 H 8.06 4.64 0.00 3.16 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.79 5.09 0.00 3.90 3.81 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 0.00 0.00 0.00 78 G 8.66 3.94 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 0.00 0.00 0.00 79 D 8.12 4.42 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.20 3.91 0.00 2.20 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 2.38 2.45 0.00 81 L 8.34 4.11 0.00 2.17 2.22 1.12 0.68 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 82 Y 8.49 3.16 0.00 2.58 2.79 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 0.00 83 E 8.62 3.94 0.00 2.08 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 2.57 2.50 0.00 84 L 8.22 3.95 0.00 1.62 2.08 1.27 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.22 3.84 0.00 1.72 1.49 0.25 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.74 3.72 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 1.97 2.27 0.00 87 H 8.46 4.10 0.00 3.35 3.56 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.04 3.72 1.94 0.00 0.00 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 1.68 0.77 0.81 0.00 0.00 89 L 7.95 3.79 0.00 1.68 1.55 0.67 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.07 3.88 0.00 1.76 1.86 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 91 Q 8.25 3.93 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 92 R 8.18 3.94 0.00 1.92 1.93 0.00 3.38 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 93 D 8.29 4.36 0.00 2.69 2.85 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 94 H 8.44 4.16 0.00 3.23 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.39 4.17 0.00 3.36 3.51 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.26 4.40 0.00 3.09 3.15 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.88 4.75 0.00 3.25 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 7.79 4.58 0.00 3.14 3.06 0.00 5.55 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 99 H 8.35 4.49 0.00 3.18 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.