NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3664 8.3033 121.7357 55.4584 32.3711 175.1639 3 K 4.7651 7.9807 117.1570 54.5008 34.2349 174.5112 4 R 4.6300 9.4881 122.6090 54.6061 35.8355 173.6787 5 F 4.9517 8.5086 118.6156 57.2360 40.7320 174.7668 6 Y 5.2696 9.1635 119.2834 56.4651 42.7257 174.0633 7 I 5.0740 9.1058 123.2626 59.5812 40.3800 174.5268 8 L 5.2616 9.1607 126.4142 53.2494 44.9146 175.4104 9 T 5.0067 8.8551 120.1234 61.8165 71.3846 173.3164 10 I 4.9048 8.8232 126.8564 59.3732 40.7700 174.5083 11 V 4.7349 8.8123 126.8296 60.9903 34.1246 174.3006 12 V 4.8886 8.4411 127.2882 60.9920 33.7995 174.8958 13 E 4.1534 9.2380 128.3138 56.3485 30.6979 176.4039 14 D 4.2918 8.9222 124.7727 53.6359 39.7367 174.7284 15 R 4.5335 7.5077 121.5526 53.0526 34.0567 176.3382 16 E 3.7771 8.8528 121.9052 59.6442 29.3870 179.8663 17 K 3.9353 7.9335 118.5140 59.2987 32.4012 178.3498 18 A 4.0353 7.9841 120.5592 55.5117 18.3134 178.8243 19 Y 4.1599 8.0537 115.0314 61.4040 37.9269 178.8679 20 R 3.9416 8.1737 119.3160 59.9099 30.1678 178.5836 21 Q 4.1626 8.5084 117.9749 58.7166 28.5679 178.8481 22 V 3.5710 7.9770 119.3578 66.1430 31.5485 177.7742 23 N 4.3346 8.3076 116.2223 56.4663 38.1629 177.2097 24 E 3.9931 8.2968 119.0923 59.2675 29.7104 178.9787 25 L 4.2303 8.0331 120.2825 58.3606 42.2638 179.1078 26 L 4.1647 8.3661 119.2426 57.8821 41.3334 178.9131 27 H 4.1771 8.6438 118.7726 59.4348 29.5677 177.0080 28 N 4.2406 7.9458 117.2020 55.3616 38.4936 176.3380 29 F 4.7642 7.8296 117.9544 57.2805 39.6199 177.7899 30 S 4.2509 7.8484 117.9331 61.4034 62.5018 175.8718 31 E 3.9439 8.2209 121.1953 59.3834 29.5034 177.5686 32 D 4.6059 8.2324 116.5553 54.8413 41.4795 175.7762 33 I 4.7449 7.4578 121.2838 60.2266 38.0029 175.4480 34 L 4.6174 8.9220 125.1829 55.4107 43.2493 176.6963 35 L 4.4840 7.4861 118.7450 54.0185 45.5232 173.4088 36 R 5.1423 8.7005 125.6183 54.6115 33.3409 174.0479 37 V 4.4823 9.2387 126.0965 61.0634 34.4853 174.0984 38 G 4.4225 8.9121 114.8398 44.5894 0.0000 171.8788 39 Y 4.7380 9.0076 125.5484 54.9668 41.4004 172.5889 40 P 4.4486 0.0000 0.0000 62.4912 32.5899 177.2650 41 V 4.1293 8.0795 122.8587 60.6060 31.4977 175.9946 42 R 3.9800 8.0680 124.7572 58.5000 30.3892 178.6164 43 E 4.1935 8.1347 113.7463 57.8427 29.7855 176.8715 44 E 4.5007 7.9116 117.6371 55.3087 30.9841 175.7419 45 N 3.8980 7.8250 114.6949 53.9372 36.2871 172.6050 *47 A 4.4693 7.4028 120.5742 51.6617 21.0906 175.6716 48 I 4.7770 8.5500 120.5676 59.4760 40.3655 174.8894 49 I 4.8714 8.5805 126.8957 59.4642 40.5173 174.3416 50 F 5.4786 9.2724 125.6733 55.8064 41.7716 174.7035 51 L 5.3863 9.2183 122.0935 53.0487 46.3628 175.3972 52 V 4.9712 8.5828 121.9880 61.2024 34.1678 174.3765 53 L 5.3768 9.2750 127.0547 52.7834 45.8658 175.4962 54 K 4.5922 8.4848 122.9429 55.4191 34.0763 174.7833 55 T 4.6345 8.7126 121.6963 61.2302 71.8036 172.2547 56 D 5.3386 8.5107 122.4262 51.6975 40.8444 176.8430 57 N 4.2233 8.8654 117.4909 57.0768 38.7426 176.2976 58 D 4.2907 8.0924 119.0219 57.4860 41.1986 178.3469 59 T 3.9593 7.8860 114.9433 66.7447 68.4858 176.5848 60 I 3.4755 7.6430 120.6946 63.5453 37.7669 177.9997 61 G 3.5594 8.0851 106.6625 47.7188 0.0000 175.3873 62 A 3.9587 8.1789 123.9778 54.6095 18.3724 179.4451 63 L 3.3549 7.7019 118.9308 58.2220 42.0649 179.1570 64 S 4.1011 7.9580 115.2350 61.6030 62.3091 177.0009 65 G 3.6104 8.1260 108.2473 47.8666 0.0000 175.9316 66 K 4.0456 7.7651 119.9356 58.9275 32.3852 179.1639 67 L 4.2109 8.2342 119.8096 57.8721 41.3548 179.8593 68 G 3.6761 7.9623 104.2645 47.7931 0.0000 175.2244 69 Q 4.2221 7.6005 117.7597 56.4998 29.3141 176.3658 70 I 3.9964 7.3303 122.9023 60.1570 37.8435 175.3800 71 S 4.2212 8.5824 120.4562 60.0622 62.6259 174.1066 72 G 3.9860 9.2813 115.1946 44.0524 0.0000 171.9260 73 V 4.8616 7.4040 118.4717 60.8510 33.8338 175.0687 74 R 4.8983 9.0685 126.5322 54.3146 33.4399 175.0250 75 V 4.9701 8.3185 121.4799 59.9403 34.7400 174.7567 76 K 4.7044 9.1732 122.3925 54.9074 35.8512 175.0948 77 T 5.0132 8.6314 120.5325 61.7072 71.2472 173.5057 78 V 4.5072 8.8736 127.0782 60.1768 33.8571 173.1307 79 P 4.6410 0.0000 0.0000 62.7664 31.6289 176.3920 80 L 3.9653 8.6731 124.8875 56.9651 42.7192 177.1021 81 K 4.1198 7.9419 121.2379 56.9139 32.3084 174.5136 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 E 8.30 4.37 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 3 K 7.98 4.77 0.00 1.68 1.58 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.53 7.81 4 R 9.49 4.63 0.00 1.51 1.48 0.00 3.04 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 5 F 8.51 4.95 0.00 2.93 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 6 Y 9.16 5.27 0.00 2.87 2.81 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 7 I 9.11 5.07 1.95 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 1.28 0.91 0.99 0.00 0.00 8 L 9.16 5.26 0.00 1.60 1.53 0.91 0.33 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 9 T 8.86 5.01 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 1.12 0.00 0.00 10 I 8.82 4.90 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.85 0.00 0.00 11 V 8.81 4.73 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 1.03 0.00 0.00 0.87 0.00 0.00 12 V 8.44 4.89 2.10 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 1.06 0.00 0.00 0.85 0.00 0.00 13 E 9.24 4.15 0.00 1.97 1.85 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 2.34 2.39 0.00 14 D 8.92 4.29 0.00 2.69 2.61 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 0.00 0.00 0.00 0.00 15 R 7.51 4.53 0.00 1.79 1.68 0.00 3.19 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 16 E 8.85 3.78 0.00 1.95 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 2.34 2.29 0.00 17 K 7.93 3.94 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 18 A 7.98 4.04 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 19 Y 8.05 4.16 0.00 3.15 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 20 R 8.17 3.94 0.00 1.93 2.13 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 21 Q 8.51 4.16 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 22 V 7.98 3.57 2.21 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 1.08 0.00 0.00 0.97 0.00 0.00 23 N 8.31 4.33 0.00 2.94 2.87 0.00 0.00 7.11 7.17 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 24 E 8.30 3.99 0.00 2.14 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 2.37 2.40 0.00 25 L 8.03 4.23 0.00 2.02 1.86 1.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.37 4.16 0.00 1.76 1.76 0.91 1.04 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 27 H 8.64 4.18 0.00 3.34 3.53 0.00 5.79 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 28 N 7.95 4.24 0.00 2.83 2.47 0.00 0.00 6.95 7.67 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 29 F 7.83 4.76 0.00 3.07 3.03 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 0.00 0.00 0.00 30 S 7.85 4.25 0.00 4.01 4.13 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 0.00 0.00 0.00 31 E 8.22 3.94 0.00 1.95 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 2.27 2.37 0.00 32 D 8.23 4.61 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 33 I 7.46 4.74 2.04 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 1.35 0.78 1.01 0.00 0.00 34 L 8.92 4.62 0.00 1.67 1.80 1.16 1.08 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 35 L 7.49 4.48 0.00 1.76 1.50 0.95 0.79 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 36 R 8.70 5.14 0.00 1.84 1.77 0.00 3.25 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 37 V 9.24 4.48 2.40 0.00 0.00 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 1.00 0.00 0.00 38 G 8.91 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.01 4.74 0.00 3.09 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 40 P 0.00 4.45 0.00 1.80 1.90 0.00 3.41 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 41 V 8.08 4.13 2.10 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 1.09 0.00 0.00 1.06 0.00 0.00 42 R 8.07 3.98 0.00 1.88 1.94 0.00 3.15 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 43 E 8.13 4.19 0.00 2.08 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 0.00 2.29 2.34 0.00 44 E 7.91 4.50 0.00 1.98 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 2.25 2.40 0.00 45 N 7.83 3.90 0.00 2.90 2.77 0.00 0.00 6.81 7.47 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 *47 A 7.40 4.47 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 48 I 8.55 4.78 1.95 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 1.13 0.81 0.13 0.00 0.00 49 I 8.58 4.87 1.77 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 1.11 0.51 0.89 0.00 0.00 50 F 9.27 5.48 0.00 2.93 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 51 L 9.22 5.39 0.00 1.58 1.55 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.58 4.97 2.17 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 1.15 0.00 0.00 0.98 0.00 0.00 53 L 9.28 5.38 0.00 1.74 1.57 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.48 4.59 0.00 1.08 1.44 0.00 1.30 0.00 0.00 1.40 0.00 0.00 2.59 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.98 0.35 7.81 55 T 8.71 4.63 4.29 0.00 0.00 0.00 0.00 0.00 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 56 D 8.51 5.34 0.00 2.97 2.81 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 57 N 8.87 4.22 0.00 2.88 2.88 0.00 0.00 6.51 8.49 0.00 0.00 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 D 8.09 4.29 0.00 2.85 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 59 T 7.89 3.96 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 60 I 7.64 3.48 1.14 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.82 0.17 0.00 0.00 61 G 8.09 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 62 A 8.18 3.96 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.70 3.35 0.00 0.29 1.20 0.48 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.96 4.10 0.00 3.85 3.83 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 65 G 8.13 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.77 4.05 0.00 1.86 1.90 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.60 7.81 67 L 8.23 4.21 0.00 1.74 1.67 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.96 3.68 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 0.00 0.00 0.00 69 Q 7.60 4.22 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 70 I 7.33 4.00 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.10 0.99 0.00 0.00 71 S 8.58 4.22 0.00 3.83 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 0.00 72 G 9.28 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 73 V 7.40 4.86 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 0.80 0.00 0.00 0.96 0.00 0.00 74 R 9.07 4.90 0.00 1.73 1.75 0.00 3.12 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 75 V 8.32 4.97 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 0.74 0.00 0.00 0.93 0.00 0.00 76 K 9.17 4.70 0.00 1.66 1.72 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.54 7.81 77 T 8.63 5.01 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 1.20 0.00 0.00 78 V 8.87 4.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 79 P 0.00 4.64 0.00 2.07 2.17 0.00 3.89 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 2.02 2.05 0.00 80 L 8.67 3.97 0.00 1.65 1.78 0.83 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.94 4.12 0.00 1.87 1.71 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.