NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.5480 8.3449 118.3641 57.9848 28.9471 172.0661 3 S 5.1199 7.6247 125.6485 57.8441 64.9645 177.8926 *4 F 4.0163 8.2317 124.6437 60.5483 39.0289 176.8214 5 E 4.2337 8.0275 116.2131 57.7151 30.1137 181.1204 6 S 4.4682 8.0948 116.1313 62.8969 63.2470 176.6906 7 L 3.9710 7.6469 124.5529 59.9737 40.2868 181.5765 8 V 3.8326 7.6806 117.2951 65.7522 31.6868 177.6324 9 D 4.4475 8.1381 118.7138 57.5565 40.8382 178.5831 10 Q 3.9259 8.0428 119.4051 59.0229 28.9854 177.8543 11 R 3.9129 8.1160 119.9427 59.2143 29.9471 178.5188 12 I 3.8112 7.9054 119.7250 63.9886 37.3187 177.9844 13 K 4.1527 8.2856 120.5219 60.3954 32.1576 177.7086 14 E 4.0720 8.4946 119.3342 60.0549 29.3942 183.9025 15 A 4.1907 7.7862 118.8497 55.4789 18.8038 179.6487 16 L 3.9475 8.1378 116.2582 58.1589 41.8098 179.2118 17 S 4.6225 7.7698 111.7857 58.5231 63.0339 174.7024 18 R 4.5682 7.9082 116.5172 54.9640 30.6588 175.4919 19 Q 3.9879 8.2115 120.3077 56.7714 28.8149 176.5251 20 E 4.1645 8.6301 119.9929 54.7885 30.5237 171.3126 21 P 4.6936 0.0000 0.0000 61.0289 32.7636 175.9689 22 K 4.3120 8.1855 118.2782 56.7709 33.0559 176.2474 23 T 4.7240 7.8217 113.8429 60.8866 71.1111 172.4013 24 I 4.5831 8.2508 126.5715 60.8982 38.6036 175.2980 25 S 4.7017 9.4022 120.8494 56.7290 65.2477 172.0362 26 C 5.6533 8.8918 123.7543 55.8285 38.4040 172.9348 27 T 4.7859 8.9678 110.6245 60.7906 72.3375 172.4765 28 S 5.2090 8.5295 117.7910 56.9011 65.5345 174.0159 29 V 4.3296 8.7562 122.9766 61.5973 33.9843 174.2583 30 T 5.0747 8.5361 124.5960 62.3577 70.2829 174.0627 31 S 4.7873 9.1147 119.1081 56.6679 66.6910 172.9488 32 S 4.6743 8.6565 119.5874 58.9886 63.3136 174.3654 33 G 4.0744 9.3337 108.2129 44.7341 0.0000 175.0075 34 R 4.5231 8.7386 117.9893 55.7788 32.9154 175.3494 35 L 5.1986 8.2444 118.3299 52.0231 43.9363 175.8991 36 A 4.7025 8.4886 124.2742 50.4524 22.3345 174.6978 37 S 5.2274 8.7492 118.2329 56.8957 65.8428 174.7916 38 C 4.6958 9.0804 121.0862 55.4805 39.6199 172.2705 39 P 4.4354 0.0000 0.0000 62.1082 31.7058 176.1280 40 A 4.0922 8.2498 124.1722 53.9347 18.7856 177.9949 41 G 4.0548 9.9073 109.4791 45.2115 0.0000 172.9987 42 M 5.0053 7.3194 116.5999 53.6034 36.1792 175.3395 43 V 4.1858 8.8454 116.3220 60.4568 34.0997 175.1991 44 V 4.6489 8.2553 123.4944 62.4374 31.6597 175.5994 45 T 4.4155 8.3474 118.1944 62.3225 70.4707 174.1735 46 G 3.8334 7.2821 107.9345 46.0641 0.0000 172.6680 47 C 5.1068 6.9838 115.4779 54.7867 40.0600 173.6774 48 A 4.9542 8.3226 122.3781 50.6939 22.4754 174.4022 49 C 4.1730 8.3202 114.7511 55.0484 41.5342 174.5992 50 G 3.4903 6.5768 109.9684 45.4333 0.0000 172.5968 51 Y 3.3879 8.8334 113.8653 58.8213 35.2920 170.6187 52 G 3.9096 8.1687 104.1542 46.6085 0.0000 175.2322 53 C 4.5029 7.7530 120.7034 54.9742 42.7425 172.9525 54 G 3.8904 8.5456 115.0898 45.8382 0.0000 171.9434 55 S 4.5626 7.8498 117.6406 56.9192 63.8898 173.1875 56 W 5.6659 7.7245 121.0673 55.4067 31.6292 173.5679 57 D 4.9898 9.9634 118.7770 52.4004 42.5488 174.0293 58 I 5.0667 8.5519 121.2967 60.0717 39.2350 175.2209 59 R 4.5959 8.7863 125.1431 55.0448 33.8570 175.3664 60 N 4.2537 9.6703 117.8645 54.1102 36.4475 174.1905 61 G 4.1472 8.2485 102.5642 46.0338 0.0000 173.9070 62 N 4.7455 7.6794 113.7022 52.9486 42.3928 173.9271 63 T 5.0326 7.9599 117.1084 61.9934 72.3113 172.5751 64 C 4.8731 9.4500 124.0958 56.0777 36.5470 172.1553 65 H 5.0470 9.5540 125.6676 55.2875 31.1795 173.0491 66 C 5.2080 8.1949 125.8035 54.1974 45.5653 174.1409 67 Q 4.5798 8.2023 125.0574 55.1163 26.7063 174.3916 68 C 4.8908 7.2905 116.5169 56.4365 44.2741 177.2569 69 S 3.5309 7.0367 116.9100 59.7697 65.2986 173.3067 70 V 4.0891 7.0117 119.4620 60.0106 33.6777 175.0438 71 M 4.3772 8.0017 125.7901 53.7036 34.8434 174.5892 72 D 4.8244 9.1471 124.6708 55.7168 40.6777 176.1829 73 W 5.9414 7.6058 115.5513 54.2812 32.0081 172.8651 74 A 5.2076 9.0970 122.2663 50.6727 22.9716 174.6713 75 S 5.1474 8.4925 111.6614 57.3565 66.7024 173.0648 76 A 4.7367 9.3905 128.3727 49.9624 21.9229 175.0189 77 R 4.4907 8.4404 123.7345 56.4431 31.4893 174.5865 78 C 5.5711 9.5419 123.8288 55.5613 42.1730 172.3667 79 C 5.6081 9.3027 119.3204 55.2774 41.6021 172.6615 80 R 4.5843 7.9465 115.2844 56.4048 32.7311 173.0680 81 M 4.8750 8.7332 119.3332 54.4384 32.8730 176.7608 82 A 4.2977 9.1026 126.4884 52.2577 19.3604 175.5689 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 C 8.34 4.55 0.00 2.98 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 3 S 7.62 5.12 0.00 4.05 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 *4 F 8.23 4.02 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.23 0.00 1.98 1.90 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 2.23 1.91 0.00 6 S 8.09 4.47 0.00 4.03 3.92 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 7 L 7.65 3.97 0.00 1.69 1.71 0.92 0.61 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 8 V 7.68 3.83 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 1.03 0.00 0.00 1.01 0.00 0.00 9 D 8.14 4.45 0.00 2.96 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 10 Q 8.04 3.93 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.43 1.99 0.00 11 R 8.12 3.91 0.00 2.29 2.13 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 12 I 7.91 3.81 2.04 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 1.41 0.49 0.91 0.00 0.00 13 K 8.29 4.15 0.00 2.00 1.86 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.10 7.81 14 E 8.49 4.07 0.00 2.04 1.79 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 2.24 2.19 0.00 15 A 7.79 4.19 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 16 L 8.14 3.95 0.00 1.82 1.77 0.92 0.93 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 S 7.77 4.62 0.00 4.07 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 18 R 7.91 4.57 0.00 1.86 1.97 0.00 3.07 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 19 Q 8.21 3.99 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 20 E 8.63 4.16 0.00 2.01 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 2.23 1.86 0.00 21 P 0.00 4.69 0.00 2.17 2.08 0.00 3.73 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 1.97 1.98 0.00 22 K 8.19 4.31 0.00 1.77 1.78 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.37 7.81 23 T 7.82 4.72 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 1.21 0.00 0.00 24 I 8.25 4.58 1.87 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 1.23 0.67 0.95 0.00 0.00 25 S 9.40 4.70 0.00 3.79 3.65 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 26 C 8.89 5.65 0.00 2.85 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 27 T 8.97 4.79 4.22 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 1.20 0.00 0.00 28 S 8.53 5.21 0.00 3.72 3.77 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 29 V 8.76 4.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 30 T 8.54 5.07 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 1.10 0.00 0.00 31 S 9.11 4.79 0.00 3.85 3.76 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 32 S 8.66 4.67 0.00 3.85 3.85 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 33 G 9.33 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.74 4.52 0.00 1.81 2.10 0.00 3.12 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 35 L 8.24 5.20 0.00 1.53 1.60 0.95 0.91 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 36 A 8.49 4.70 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.75 5.23 0.00 3.74 3.76 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 38 C 9.08 4.70 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.17 1.96 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 40 A 8.25 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.91 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 0.00 0.00 0.00 42 M 7.32 5.01 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 43 V 8.85 4.19 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 0.66 0.00 0.00 1.01 0.00 0.00 44 V 8.26 4.65 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 0.76 0.00 0.00 0.93 0.00 0.00 45 T 8.35 4.42 4.25 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 1.21 0.00 0.00 46 G 7.28 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 0.00 0.00 0.00 47 C 6.98 5.11 0.00 1.23 2.43 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 48 A 8.32 4.95 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 49 C 8.32 4.17 0.00 2.94 2.68 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 50 G 6.58 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.83 3.39 0.00 2.94 3.01 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 0.00 0.00 0.00 52 G 8.17 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 0.00 0.00 0.00 53 C 7.75 4.50 0.00 2.90 3.05 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 54 G 8.55 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 0.00 0.00 0.00 55 S 7.85 4.56 0.00 3.75 3.75 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 56 W 7.72 5.67 0.00 3.45 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 57 D 9.96 4.99 0.00 2.71 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 58 I 8.55 5.07 2.01 0.00 0.00 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 1.45 0.99 1.04 0.00 0.00 59 R 8.79 4.60 0.00 1.75 1.79 0.00 3.28 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 60 N 9.67 4.25 0.00 2.91 2.87 0.00 0.00 7.10 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 61 G 8.25 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 0.00 0.00 0.00 62 N 7.68 4.75 0.00 2.73 3.00 0.00 0.00 5.89 7.22 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 63 T 7.96 5.03 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 1.30 0.00 0.00 64 C 9.45 4.87 0.00 2.90 2.93 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 65 H 9.55 5.05 0.00 3.19 3.68 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 8.19 5.21 0.00 2.93 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 67 Q 8.20 4.58 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.39 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 68 C 7.29 4.89 0.00 2.80 2.87 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 69 S 7.04 3.53 0.00 3.93 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 70 V 7.01 4.09 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 0.53 0.00 0.00 0.79 0.00 0.00 71 M 8.00 4.38 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 72 D 9.15 4.82 0.00 3.09 3.20 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 73 W 7.61 5.94 0.00 3.58 3.20 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 74 A 9.10 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.49 5.15 0.00 4.19 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 76 A 9.39 4.74 1.20 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 0.00 0.00 77 R 8.44 4.49 0.00 1.91 1.73 0.00 3.23 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 78 C 9.54 5.57 0.00 2.89 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 79 C 9.30 5.61 0.00 2.76 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 80 R 7.95 4.58 0.00 1.87 2.01 0.00 2.76 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 81 M 8.73 4.88 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 82 A 9.10 4.30 1.18 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.