NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3379 8.4293 120.2303 56.4074 31.7922 176.8659 6 D 4.4676 8.1474 120.0942 52.4387 42.6345 174.7517 7 P 4.2767 0.0000 0.0000 65.8153 31.6742 180.0521 8 F 3.9958 8.2768 118.8585 61.4975 39.5229 177.1106 9 Q 4.1322 9.3449 118.0795 58.8727 28.4014 178.6039 10 Q 3.9316 8.1697 120.6422 59.2368 29.0565 178.5289 11 V 3.4880 7.5538 118.8633 65.8014 31.5070 177.8754 12 V 3.4084 7.5852 117.9627 65.9551 31.3212 177.9194 13 K 3.9056 8.0281 118.9776 59.6627 32.0097 178.2885 14 D 4.3584 8.3789 119.5309 57.7871 40.6330 179.1899 15 T 3.8264 8.1249 116.2300 66.5316 68.4502 177.0192 16 K 4.1715 8.0197 121.7215 58.8338 31.9882 178.9258 17 E 3.8948 8.2481 119.5556 59.3749 29.6158 178.6808 18 Q 3.9101 8.3694 119.8323 59.1561 29.1215 178.2241 19 L 3.9471 8.1576 120.2779 57.7797 41.5937 178.9119 20 N 4.2827 8.5367 117.4371 56.6528 38.8639 176.7469 21 R 3.8898 8.2942 120.3340 59.6554 30.1020 178.5871 22 I 3.7410 7.6049 119.0539 64.2015 37.0247 177.8871 23 N 4.3273 8.3415 117.9556 56.8998 38.6874 176.5874 24 N 4.3495 8.4489 118.0216 56.4799 38.6189 176.7273 25 Y 4.0629 8.0980 120.7903 60.8366 38.7056 178.2196 26 I 3.8268 8.0691 119.7387 64.6697 37.2860 178.0012 27 T 4.0165 7.6510 115.5497 66.9884 68.4456 176.4110 28 R 4.0756 7.5100 117.6901 57.5883 31.5020 176.5611 29 H 4.7627 7.7244 115.2032 54.3387 28.9733 172.9561 30 N 4.7916 7.9548 113.8582 53.6310 39.3393 174.1075 31 T 5.0202 7.4936 104.9227 58.1910 71.0499 174.0905 32 A 3.9968 8.1643 126.5978 51.5350 17.6815 176.4880 *35 D 4.4625 8.3369 120.9273 54.7306 42.3181 176.2380 36 D 4.3975 9.0189 126.0031 57.1963 41.2205 177.2603 37 Q 4.4306 8.3469 115.9319 55.6944 29.3954 177.0076 38 E 4.1484 8.1053 120.8966 59.6103 29.6124 178.8274 39 E 3.9909 8.1385 118.0553 59.2863 29.5233 178.6823 40 E 3.8487 8.0946 118.7847 59.4202 29.6526 178.7486 41 I 3.4273 7.9940 120.0397 64.3583 37.0713 178.3212 42 Q 3.8930 7.7399 118.2620 59.0908 28.5770 178.8400 43 D 4.3006 8.1435 119.6791 57.5153 40.8051 179.0176 44 I 3.6782 7.8861 120.4660 64.2939 37.0258 178.4753 45 L 3.8904 8.1058 120.2731 57.6022 41.5160 179.5714 46 K 3.9200 8.0470 119.6176 59.5148 32.0698 178.5705 47 D 4.3437 8.1554 119.2404 57.3282 40.6757 178.9720 48 V 3.5131 8.0654 118.9380 65.9666 31.4705 177.5377 49 E 3.9243 8.2189 118.4640 59.9940 29.4566 179.5865 50 E 4.0582 8.0972 117.5488 59.3590 29.4451 179.4608 51 T 3.8385 8.2187 116.4318 66.7161 68.4618 176.6871 52 I 3.6581 7.9466 121.8057 64.1421 36.9751 178.5447 53 V 3.5970 7.6124 118.8537 66.1872 31.3221 177.8367 54 D 4.3528 7.9406 118.3435 57.3356 40.6797 178.7306 55 L 4.0035 8.0520 119.5276 57.9746 41.5699 179.3437 56 D 4.4565 8.5759 119.1591 57.4806 40.7684 179.0592 57 R 3.9322 8.3635 118.8861 59.2672 30.0627 178.9739 58 S 4.1571 8.3366 112.9164 61.4665 62.3293 176.2586 59 I 3.6088 7.9772 122.3563 64.4135 36.6520 178.1219 60 I 3.6957 7.6398 119.3117 64.8427 37.0537 178.5657 61 V 3.7866 7.8376 112.7904 64.6953 31.3658 178.6432 62 M 4.0387 8.1002 118.5251 58.1575 31.5137 178.5995 63 K 3.8995 8.2073 119.4646 59.5954 32.3409 178.5702 64 R 4.2328 7.5140 117.4408 57.9914 30.1750 176.1762 65 D 4.5185 7.8449 118.9572 53.2798 40.6351 176.5016 66 E 3.9398 8.7494 127.4814 59.3442 29.5968 177.9835 67 N 4.6612 8.5935 114.4550 53.2326 38.6555 174.1607 68 E 4.5123 8.1849 120.0038 54.1085 31.7888 174.4693 69 D 4.6813 8.5868 125.4596 53.3441 42.0608 176.4886 70 V 4.1234 8.1372 119.3552 61.3733 31.8656 177.8634 71 S 4.5783 8.0227 118.6679 60.8130 62.7225 176.7872 72 G 3.5617 7.9763 108.8171 47.7316 0.0000 175.7940 73 R 4.0179 7.8050 120.3853 58.8735 30.0402 178.6749 74 E 4.0000 8.7722 118.5185 59.5983 29.4864 179.4187 75 A 4.1416 8.2847 120.7066 55.1484 18.3932 179.7702 76 Q 3.9805 8.2476 116.7684 59.1460 28.7615 179.0974 77 V 3.6267 8.0812 119.3598 65.7473 31.5758 177.9162 78 K 3.9007 8.2837 119.5636 59.4442 31.9381 178.2124 79 N 4.6635 8.1127 118.5832 56.3134 38.8335 176.8427 80 I 3.6825 7.8629 121.1058 64.4371 37.1376 178.5727 81 K 3.9840 8.2859 119.3564 59.5023 31.6895 179.5097 82 Q 3.9652 8.0932 118.4096 58.8316 28.1351 178.2671 83 Q 3.9684 8.2561 120.7872 59.1700 28.9888 178.2782 84 L 3.9554 8.2238 121.4968 58.2867 42.0303 178.6275 85 D 4.3334 8.3278 118.6730 57.3063 40.8722 178.5498 86 A 4.0008 8.1275 121.2532 55.1741 18.3295 179.4885 87 L 3.9468 8.0642 118.7069 58.2209 42.1615 179.1966 88 K 4.0522 8.3774 118.8062 59.4148 31.9943 179.0420 89 L 3.9634 7.7969 120.2728 58.2267 41.8443 178.9665 90 R 3.9578 7.6633 116.4415 59.3685 30.1972 178.4526 91 F 4.4646 8.6721 120.4433 61.6750 39.2480 176.8645 92 D 4.1916 8.4089 117.3486 56.9513 40.6646 178.1176 93 R 4.4147 7.7279 115.6100 54.7755 30.4934 176.7701 94 R 3.9194 7.0683 119.3377 56.8436 30.8202 176.8027 95 I 4.1073 8.2557 122.3367 61.4511 37.8947 175.3006 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 5 E 8.43 4.34 0.00 2.00 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 2.23 2.33 0.00 6 D 8.15 4.47 0.00 3.03 2.82 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 7 P 0.00 4.28 0.00 2.23 2.18 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 8 F 8.28 4.00 0.00 3.16 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 9 Q 9.34 4.13 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.82 2.74 0.00 10 Q 8.17 3.93 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 11 V 7.55 3.49 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 0.87 0.00 0.00 0.90 0.00 0.00 12 V 7.59 3.41 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 0.94 0.00 0.00 0.69 0.00 0.00 13 K 8.03 3.91 0.00 1.87 2.03 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 14 D 8.38 4.36 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 15 T 8.12 3.83 4.30 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 1.16 0.00 0.00 16 K 8.02 4.17 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.45 7.81 17 E 8.25 3.89 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 18 Q 8.37 3.91 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 19 L 8.16 3.95 0.00 1.83 1.68 0.97 0.78 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 20 N 8.54 4.28 0.00 2.78 2.99 0.00 0.00 6.88 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 21 R 8.29 3.89 0.00 2.07 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 22 I 7.60 3.74 1.83 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 1.27 0.58 0.83 0.00 0.00 23 N 8.34 4.33 0.00 3.00 2.97 0.00 0.00 7.21 6.33 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 24 N 8.45 4.35 0.00 2.97 2.90 0.00 0.00 6.71 8.22 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 25 Y 8.10 4.06 0.00 3.16 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 26 I 8.07 3.83 2.12 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.06 1.01 0.00 0.00 27 T 7.65 4.02 4.41 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 1.20 0.00 0.00 28 R 7.51 4.08 0.00 1.64 1.68 0.00 3.04 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 29 H 7.72 4.76 0.00 2.74 3.03 0.00 5.61 0.00 0.00 0.00 0.00 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.95 4.79 0.00 2.65 2.77 0.00 0.00 7.12 7.70 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 31 T 7.49 5.02 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 1.19 0.00 0.00 32 A 8.16 4.00 1.28 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 0.00 0.00 *35 D 8.34 4.46 0.00 2.79 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 D 9.02 4.40 0.00 2.78 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 37 Q 8.35 4.43 0.00 1.73 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.81 0.00 0.00 0.00 0.00 0.00 2.19 1.76 0.00 38 E 8.11 4.15 0.00 2.26 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 2.46 2.58 0.00 39 E 8.14 3.99 0.00 2.05 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 2.42 2.39 0.00 40 E 8.09 3.85 0.00 2.00 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 0.00 2.24 2.35 0.00 41 I 7.99 3.43 1.55 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.35 -0.12 0.00 0.00 42 Q 7.74 3.89 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.75 0.00 43 D 8.14 4.30 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 44 I 7.89 3.68 1.74 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 1.45 0.77 0.83 0.00 0.00 45 L 8.11 3.89 0.00 1.54 1.64 0.65 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.05 3.92 0.00 1.86 1.92 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.50 7.81 47 D 8.16 4.34 0.00 2.86 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 48 V 8.07 3.51 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 0.99 0.00 0.00 0.90 0.00 0.00 49 E 8.22 3.92 0.00 2.28 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 0.00 2.33 2.37 0.00 50 E 8.10 4.06 0.00 2.16 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 2.31 2.48 0.00 51 T 8.22 3.84 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 1.13 0.00 0.00 52 I 7.95 3.66 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.91 0.00 0.00 53 V 7.61 3.60 2.24 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 1.13 0.00 0.00 0.98 0.00 0.00 54 D 7.94 4.35 0.00 2.91 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 55 L 8.05 4.00 0.00 1.78 1.62 0.70 0.05 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 56 D 8.58 4.46 0.00 2.88 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 57 R 8.36 3.93 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 58 S 8.34 4.16 0.00 4.03 4.34 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 59 I 7.98 3.61 2.10 0.00 0.00 1.01 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 0.75 0.90 0.00 0.00 60 I 7.64 3.70 2.06 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 1.53 0.66 0.92 0.00 0.00 61 V 7.84 3.79 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 0.91 0.00 0.00 1.00 0.00 0.00 62 M 8.10 4.04 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.50 0.00 63 K 8.21 3.90 0.00 1.86 1.97 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 64 R 7.51 4.23 0.00 2.03 1.99 0.00 3.21 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 65 D 7.84 4.52 0.00 2.68 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 66 E 8.75 3.94 0.00 1.99 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 0.00 2.31 2.33 0.00 67 N 8.59 4.66 0.00 2.82 2.83 0.00 0.00 6.71 8.32 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 68 E 8.18 4.51 0.00 1.84 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 2.13 2.13 0.00 69 D 8.59 4.68 0.00 2.64 2.53 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 0.00 0.00 0.00 0.00 70 V 8.14 4.12 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 0.78 0.00 0.00 0.95 0.00 0.00 71 S 8.02 4.58 0.00 4.03 4.15 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 72 G 7.98 3.56 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 0.00 0.00 0.00 73 R 7.81 4.02 0.00 1.74 1.53 0.00 2.39 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 74 E 8.77 4.00 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 2.35 2.48 0.00 75 A 8.28 4.14 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 76 Q 8.25 3.98 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 77 V 8.08 3.63 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 1.13 0.00 0.00 1.13 0.00 0.00 78 K 8.28 3.90 0.00 1.95 1.96 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 79 N 8.11 4.66 0.00 2.87 3.07 0.00 0.00 6.80 7.84 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 80 I 7.86 3.68 1.99 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 1.50 0.68 0.88 0.00 0.00 81 K 8.29 3.98 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.61 7.81 82 Q 8.09 3.97 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 83 Q 8.26 3.97 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 84 L 8.22 3.96 0.00 1.76 1.80 0.89 1.18 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 85 D 8.33 4.33 0.00 2.92 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 86 A 8.13 4.00 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 87 L 8.06 3.95 0.00 1.87 1.91 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.38 4.05 0.00 2.03 1.92 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.55 7.81 89 L 7.80 3.96 0.00 1.74 1.69 0.94 1.41 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 90 R 7.66 3.96 0.00 2.13 2.07 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 91 F 8.67 4.46 0.00 3.07 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 92 D 8.41 4.19 0.00 2.79 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 93 R 7.73 4.41 0.00 1.78 1.94 0.00 3.19 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 94 R 7.07 3.92 0.00 1.65 1.86 0.00 3.17 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 95 I 8.26 4.11 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.32 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.