NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6396 8.4249 119.2009 53.2034 41.2890 173.5887 3 K 4.3253 7.6519 118.0199 55.1332 33.2960 175.0862 4 A 4.3000 9.9415 128.9805 52.1764 20.4691 175.9379 5 Q 4.2081 9.2567 120.3126 54.0345 31.5664 174.6716 6 I 5.0052 8.0903 125.3832 59.4102 40.2778 174.6650 7 E 5.2088 9.4035 125.9506 54.5967 33.0476 174.9838 8 I 4.8972 9.0342 124.9325 59.8971 40.3832 173.9617 9 Y 5.1852 9.4015 126.5515 56.5182 39.7685 174.7016 10 Y 5.7960 8.5462 122.0736 54.9682 42.0991 173.9142 11 C 4.6821 10.1290 122.8316 57.1623 44.0293 174.0688 12 R 3.8136 9.2209 128.9320 59.0372 29.6760 176.9603 13 Q 4.4614 7.8386 111.8329 56.1892 29.0947 176.2404 14 C 4.0994 7.7084 115.2188 56.3721 40.4884 172.7542 15 N 4.1059 7.8652 116.5621 55.1031 37.0229 175.4352 16 W 4.8661 7.7145 117.5575 55.2582 29.3859 176.4970 *18 L 4.2630 7.6735 122.4088 54.6299 43.6856 180.0497 19 R 4.2280 7.7407 114.7697 59.2028 29.2955 178.9065 20 S 4.2453 8.0042 115.6432 61.5014 62.8758 176.3369 21 A 4.0075 7.8918 123.0191 54.6469 18.0771 179.3270 22 W 4.1120 8.2949 126.9917 60.8301 30.9554 178.1285 23 L 3.0509 7.7759 118.8444 57.5440 40.9260 179.5941 24 S 4.0317 8.1186 112.9729 61.6279 62.3076 176.3830 25 Q 4.0182 7.9793 120.6506 58.7553 28.3930 178.4693 26 E 3.8758 8.0343 119.9097 59.3227 29.3957 179.4610 27 L 4.1174 7.7547 118.7947 57.9163 41.2446 179.5602 28 L 4.1098 8.1220 118.9841 57.8939 41.2412 179.1999 29 H 4.2121 8.2122 117.7520 59.5544 29.9508 177.1949 30 T 3.8122 7.6784 116.3519 65.1013 69.0324 175.4616 31 F 5.5479 8.5312 119.7395 55.5725 39.6619 177.4545 32 S 4.3334 8.1663 115.8499 60.0522 62.8670 174.7523 33 E 4.5198 8.1610 117.6982 56.3018 30.8480 175.9785 34 E 4.5394 8.1502 117.2587 55.8964 30.4617 175.0807 35 I 4.7291 7.4240 120.2784 59.5457 39.1131 175.0925 36 E 4.2891 9.1599 127.6534 58.8393 30.1002 176.0594 37 Y 4.7562 6.8821 114.1321 56.3746 40.9040 172.7356 38 V 4.9870 8.8362 120.0351 61.1771 34.1381 174.2798 39 A 4.8709 9.6224 129.8494 50.1253 21.8544 174.6489 40 L 5.0463 8.5260 121.8126 53.5345 43.8027 175.7780 41 H 4.7661 9.4892 122.4476 52.9429 30.6370 171.9581 42 P 3.3890 0.0000 0.0000 62.8206 31.8133 175.1784 43 D 5.2491 8.9590 125.4694 52.9299 44.9276 174.6508 44 T 4.5396 9.2270 109.5024 60.3049 70.9357 174.0008 45 G 3.6795 8.0820 108.6000 45.5592 0.0000 174.9676 46 G 4.1377 8.6357 111.2711 46.1026 0.0000 173.1521 47 R 4.4700 7.8834 120.9065 56.0725 31.7853 175.5300 48 F 5.4412 8.8314 128.4767 57.8262 41.6916 171.8869 49 E 5.1039 9.4205 127.3027 54.3622 33.5118 173.8721 50 I 5.0619 8.4533 126.1484 59.5082 40.7497 174.5059 51 F 5.3566 9.5129 124.5082 55.8280 43.0772 173.8173 52 C 4.9360 9.0941 122.0817 57.9070 34.4455 173.7595 53 N 4.2418 10.2870 125.9855 54.3480 36.3523 175.7679 54 G 3.9314 8.5041 105.6246 45.2837 0.0000 174.0115 55 V 4.1534 7.8380 121.0366 61.0657 32.4216 174.6784 56 Q 4.1881 8.9438 129.1632 56.3283 29.0232 175.1630 57 I 4.4592 7.9239 118.3672 60.1480 38.7962 175.3065 58 W 4.2700 7.2889 129.8225 56.7728 34.2899 172.6079 59 E 4.5166 7.3616 127.2294 54.7926 31.9814 174.9742 60 R 4.0671 9.0115 127.8218 59.0987 30.4212 178.4820 61 K 3.8624 9.0318 116.1903 59.4600 32.1185 178.5877 62 Q 3.9919 8.0318 117.7033 59.4843 28.9888 178.0842 63 E 3.8768 8.0973 117.0931 56.0380 29.8385 176.6472 64 G 3.8013 8.1895 107.2747 44.3484 0.0000 174.4563 65 G 3.7740 6.7534 107.0549 45.2359 0.0000 171.6959 66 F 4.7689 8.2669 119.2372 54.6167 41.6291 173.6436 67 P 3.7893 0.0000 0.0000 62.2609 31.8793 176.5845 68 E 4.3986 8.2915 119.2963 55.5015 31.8892 177.6569 69 A 3.7100 8.6569 123.2898 55.3036 18.4245 180.2134 70 K 3.8347 7.9609 117.3669 59.6706 32.4389 178.9775 71 V 3.6352 7.7428 118.0167 65.9792 31.4966 177.5533 72 L 3.9453 7.7993 120.0176 57.9958 41.8326 179.0126 73 K 4.1754 8.0246 118.5105 59.6306 32.0463 179.0893 74 Q 4.0365 8.2536 119.7337 59.3870 28.7936 178.5544 75 R 4.0054 7.9698 117.9570 58.9751 30.3379 178.9457 76 V 3.6223 7.7783 118.3967 65.7282 31.4515 178.0170 77 R 3.6996 8.2601 118.8905 59.5241 29.7331 178.1194 78 D 4.4211 8.0938 117.1114 56.2552 40.8805 177.5781 79 L 4.4087 7.4546 117.7134 55.1059 42.2835 178.0505 80 I 4.0117 7.2955 118.9466 63.2601 37.9480 175.1419 81 D 4.5029 8.1404 122.7879 54.4392 40.8231 176.4097 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 N 8.42 4.64 0.00 2.67 2.80 0.00 0.00 7.06 5.80 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 3 K 7.65 4.33 0.00 1.75 1.81 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 4 A 9.94 4.30 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.26 4.21 0.00 1.77 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 6 I 8.09 5.01 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 0.91 0.00 0.00 7 E 9.40 5.21 0.00 2.21 1.80 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 2.37 2.54 0.00 8 I 9.03 4.90 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.98 0.92 0.00 0.00 9 Y 9.40 5.19 0.00 2.98 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.55 5.80 0.00 3.66 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 11 C 10.13 4.68 0.00 3.30 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 12 R 9.22 3.81 0.00 1.75 2.00 0.00 3.28 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 13 Q 7.84 4.46 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.88 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 14 C 7.71 4.10 0.00 1.40 1.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.11 0.00 2.83 2.86 0.00 0.00 6.93 7.95 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 16 W 7.71 4.87 0.00 3.75 3.12 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 *18 L 7.67 4.26 0.00 1.78 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.74 4.23 0.00 2.08 2.07 0.00 2.21 0.00 0.00 2.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 20 S 8.00 4.25 0.00 3.56 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 21 A 7.89 4.01 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 22 W 8.29 4.11 0.00 3.35 3.40 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 0.00 0.00 0.00 0.00 23 L 7.78 3.05 0.00 1.74 1.43 0.96 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.12 4.03 0.00 3.89 4.01 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 25 Q 7.98 4.02 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 26 E 8.03 3.88 0.00 1.80 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 1.91 1.59 0.00 27 L 7.75 4.12 0.00 1.90 1.83 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.12 4.11 0.00 1.71 1.75 0.95 0.88 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 29 H 8.21 4.21 0.00 3.23 3.43 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.68 3.81 3.63 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 0.15 0.00 0.00 31 F 8.53 5.55 0.00 3.10 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 32 S 8.17 4.33 0.00 3.98 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 33 E 8.16 4.52 0.00 1.98 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 2.23 2.30 0.00 34 E 8.15 4.54 0.00 2.14 1.93 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 2.30 2.33 0.00 35 I 7.42 4.73 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.96 0.00 0.00 36 E 9.16 4.29 0.00 2.01 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 0.00 2.50 2.32 0.00 37 Y 6.88 4.76 0.00 3.03 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 38 V 8.84 4.99 2.15 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 0.86 0.00 0.00 0.96 0.00 0.00 39 A 9.62 4.87 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.53 5.05 0.00 1.62 1.87 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 41 H 9.49 4.77 0.00 2.49 3.07 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 3.39 0.00 1.95 1.98 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 43 D 8.96 5.25 0.00 2.75 2.65 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 44 T 9.23 4.54 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 1.22 0.00 0.00 45 G 8.08 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 46 G 8.64 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.88 4.47 0.00 2.09 2.08 0.00 3.16 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 48 F 8.83 5.44 0.00 3.31 2.86 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 49 E 9.42 5.10 0.00 2.10 1.70 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 1.47 2.11 0.00 50 I 8.45 5.06 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.21 0.93 0.00 0.00 51 F 9.51 5.36 0.00 2.99 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 52 C 9.09 4.94 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 10.29 4.24 0.00 2.79 2.82 0.00 0.00 7.18 7.57 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 54 G 8.50 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 0.00 0.00 0.00 55 V 7.84 4.15 2.23 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 0.85 0.00 0.00 0.95 0.00 0.00 56 Q 8.94 4.19 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.11 1.64 0.00 57 I 7.92 4.46 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.98 0.00 0.00 58 W 7.29 4.27 0.00 3.42 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 59 E 7.36 4.52 0.00 1.94 1.49 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 2.33 2.14 0.00 60 R 9.01 4.07 0.00 2.07 1.98 0.00 2.90 0.00 0.00 2.75 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.00 61 K 9.03 3.86 0.00 1.75 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.59 7.81 62 Q 8.03 3.99 0.00 1.88 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 63 E 8.10 3.88 0.00 1.21 1.31 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 0.00 1.47 1.47 0.00 64 G 8.19 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 0.00 0.00 0.00 65 G 6.75 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 0.00 0.00 0.00 66 F 8.27 4.77 0.00 2.81 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 67 P 0.00 3.79 0.00 1.32 0.49 0.00 3.47 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.94 0.00 68 E 8.29 4.40 0.00 2.06 1.95 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 2.44 2.42 0.00 69 A 8.66 3.71 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 70 K 7.96 3.83 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.51 7.81 71 V 7.74 3.64 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 1.19 0.00 0.00 1.01 0.00 0.00 72 L 7.80 3.95 0.00 1.57 1.48 0.82 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.02 4.18 0.00 2.08 1.98 0.00 1.68 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.70 7.81 74 Q 8.25 4.04 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 75 R 7.97 4.01 0.00 1.88 2.02 0.00 3.51 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 76 V 7.78 3.62 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 0.39 0.00 0.00 0.89 0.00 0.00 77 R 8.26 3.70 0.00 2.22 2.14 0.00 3.24 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 78 D 8.09 4.42 0.00 2.70 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 79 L 7.45 4.41 0.00 1.70 1.65 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.30 4.01 1.82 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.42 0.85 0.00 0.00 81 D 8.14 4.50 0.00 2.62 2.57 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 * Residues marked with a * may have inaccurate shift predictions.