NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0303 8.0393 120.3117 60.5963 32.8824 174.8056 10 P 4.1347 0.0000 0.0000 61.7170 31.3468 171.0020 11 P 4.0306 0.0000 0.0000 61.2235 31.9794 175.7743 12 A 3.8521 8.1684 122.8565 50.2654 19.6982 177.7761 13 L 4.3737 8.3718 121.5238 54.9948 43.1519 175.6405 14 H 5.3413 8.6593 120.3030 53.8407 31.9495 172.7013 15 L 4.6208 9.7013 126.3881 53.8492 43.1058 175.5553 16 V 4.4378 9.1279 128.4292 62.2301 32.5046 174.7875 17 D 4.6622 8.5985 128.4350 52.3815 41.9740 176.6456 18 P 4.4215 0.0000 0.0000 65.3895 31.5500 177.4633 19 Q 4.0882 8.2950 116.8287 58.5007 28.1822 177.1147 20 I 4.4920 7.7039 118.8895 59.0916 39.1746 174.6827 21 Q 4.7036 8.2587 122.7418 54.2412 33.2849 174.1984 22 L 4.4698 8.6243 122.9647 55.1900 44.1026 175.9655 23 T 5.3569 8.5550 118.2382 61.1917 71.5941 173.2383 24 I 4.6674 8.6905 120.6355 59.2596 39.6329 175.3193 25 T 4.6776 8.2475 114.0872 59.5366 71.5718 173.2695 26 R 4.2218 8.2945 121.4926 56.3955 32.7810 173.3138 *38 A 4.4349 8.8127 128.6786 51.4140 20.3411 177.2675 39 D 5.5771 7.7444 123.8864 54.2640 37.2293 176.4647 40 P 4.3520 0.0000 0.0000 62.8278 32.5178 172.7481 41 K 3.4518 8.7801 124.1475 56.9238 28.3149 174.3779 42 V 5.0873 7.3188 121.4952 60.2239 34.0333 173.6152 43 Y 4.8549 8.6898 126.1576 55.1474 40.8512 174.1985 44 P 4.7797 0.0000 0.0000 63.3173 33.2154 174.5589 45 I 5.0522 8.0387 119.5487 59.5867 40.1293 175.0284 46 I 4.9765 8.8118 127.1628 59.4775 40.1523 174.4203 47 L 5.1049 8.7990 126.0723 52.5771 44.1688 177.3742 48 R 4.9877 8.7421 125.2438 55.0566 30.8017 176.0720 49 L 3.6858 8.2699 120.0999 56.9848 40.1902 176.6207 50 G 3.8066 8.3655 114.2893 46.7562 0.0000 173.1606 51 S 4.3667 7.5627 116.6004 56.8411 64.4873 173.4435 52 N 4.6758 8.4278 120.4462 52.7538 39.8079 174.2134 53 L 4.6716 7.9288 124.4981 53.1164 43.6243 175.9213 54 S 4.7911 8.3845 116.1682 56.2836 64.6967 172.8360 55 L 5.0083 8.2037 127.5896 53.3601 45.2233 175.0448 56 S 5.0895 8.5580 118.5662 57.1018 66.7002 172.3591 57 M 4.7089 8.9879 120.7784 53.9210 34.1489 174.5123 58 A 5.9371 8.3474 125.7974 49.5204 22.6115 175.4557 59 R 4.8599 8.5423 117.6929 54.5619 34.9011 174.8673 60 R 3.4117 9.0625 122.1056 57.1266 30.8232 176.6748 61 N 4.5200 8.4770 122.8316 52.1111 37.6763 173.9615 62 L 4.5880 7.9819 121.9555 54.0031 42.1344 176.8492 63 D 4.8040 7.8634 114.7610 52.6301 40.5945 174.3523 64 S 4.5985 7.5621 113.2180 57.9941 65.6302 173.7547 65 L 4.7724 9.4194 117.7259 55.3344 41.1760 176.5921 66 E 4.5056 8.1870 114.7717 55.9814 31.0110 175.6768 67 A 4.4267 7.4078 122.0674 50.6280 19.9222 177.0594 68 R 3.8945 8.4762 117.7081 56.8051 30.8802 176.7680 69 A 4.1077 8.9362 123.7374 54.8223 19.0590 177.2319 70 F 5.1581 8.1206 111.3522 55.6847 42.5776 174.7668 71 Q 4.4166 9.6236 124.7498 55.0609 30.2271 174.1985 72 S 5.0280 8.7112 122.3011 57.3899 63.8165 173.5440 73 T 4.5083 9.1602 125.4512 60.7205 69.9519 171.5456 74 P 4.6280 0.0000 0.0000 63.2684 32.1830 175.6305 75 I 4.5478 8.9527 125.2178 59.2987 39.2307 176.0611 76 V 3.6828 8.4275 126.7162 61.1555 31.1728 175.8786 77 V 4.0461 8.1879 125.9183 61.6095 31.5208 175.0253 78 Q 4.4858 8.2584 131.2089 55.9178 29.3536 175.5174 79 M 4.5693 7.9218 112.7584 55.2004 31.5706 175.3688 80 T 4.6964 9.4791 117.4158 61.6822 71.8199 173.3820 81 K 4.4241 8.6657 126.4432 55.8960 33.3270 175.6572 82 L 4.8021 8.4218 125.7664 53.2615 43.8521 175.8978 83 A 4.4721 8.8799 123.4481 53.1214 21.2110 176.9861 84 T 4.5600 7.9620 110.0593 60.2177 69.3418 174.7123 85 T 4.0448 8.3855 121.9803 63.8403 67.5655 174.8076 86 E 4.1980 7.7338 120.6540 58.2224 29.8297 176.8970 87 E 4.1736 7.8037 116.3347 58.2940 29.9313 176.9431 88 L 4.2104 7.2222 118.9149 53.2233 42.5478 174.5153 89 P 4.8048 0.0000 0.0000 61.5671 32.8783 175.9311 90 D 4.5953 8.6560 118.1049 56.7576 40.9290 177.1131 91 E 4.5021 7.7019 116.6293 54.4508 33.3097 174.1384 92 F 4.9801 7.5915 115.3765 56.8002 40.3418 173.1636 93 V 4.3346 8.3507 112.5777 59.9756 33.9285 175.6356 94 V 4.6477 8.2143 123.2747 61.2726 33.5540 175.8300 95 V 3.9193 9.3665 130.6478 62.2416 31.2032 174.0551 96 T 4.2488 8.3080 122.2972 62.3386 68.0988 175.7309 97 A 4.3492 7.9239 134.2372 51.3121 16.2860 177.4417 98 K 4.0636 7.6620 126.3951 56.4640 32.3511 175.9711 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 9 V 8.04 4.03 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 0.94 0.00 0.00 0.93 0.00 0.00 10 P 0.00 4.13 0.00 2.32 2.25 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 11 P 0.00 4.03 0.00 2.07 2.32 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 12 A 8.17 3.85 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 13 L 8.37 4.37 0.00 1.53 1.52 0.90 1.04 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 14 H 8.66 5.34 0.00 3.01 3.15 0.00 5.60 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 15 L 9.70 4.62 0.00 1.61 1.50 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.13 4.44 2.19 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 0.94 0.00 0.00 0.99 0.00 0.00 17 D 8.60 4.66 0.00 2.92 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.17 2.19 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 19 Q 8.30 4.09 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 20 I 7.70 4.49 1.88 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 1.30 0.69 0.92 0.00 0.00 21 Q 8.26 4.70 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 22 L 8.62 4.47 0.00 1.88 1.63 0.95 0.91 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 23 T 8.55 5.36 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 1.29 0.00 0.00 24 I 8.69 4.67 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.69 0.87 0.00 0.00 25 T 8.25 4.68 4.26 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 1.24 0.00 0.00 26 R 8.29 4.22 0.00 1.78 1.84 0.00 3.44 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 *38 A 8.81 4.43 1.35 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 0.00 0.00 0.00 39 D 7.74 5.58 0.00 2.91 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 40 P 0.00 4.35 0.00 2.07 2.04 0.00 3.91 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 41 K 8.78 3.45 0.00 2.44 2.56 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.76 1.51 7.81 42 V 7.32 5.09 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 0.82 0.00 0.00 0.92 0.00 0.00 43 Y 8.69 4.85 0.00 3.01 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 44 P 0.00 4.78 0.00 2.13 2.25 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 45 I 8.04 5.05 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.95 0.00 0.00 46 I 8.81 4.98 2.06 0.00 0.00 0.59 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 0.69 0.92 0.00 0.00 47 L 8.80 5.10 0.00 1.62 1.57 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.74 4.99 0.00 1.84 1.93 0.00 3.18 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 49 L 8.27 3.69 0.00 1.78 1.77 1.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.37 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 0.00 0.00 0.00 51 S 7.56 4.37 0.00 3.99 3.87 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 52 N 8.43 4.68 0.00 2.69 2.73 0.00 0.00 6.95 7.78 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 53 L 7.93 4.67 0.00 1.59 1.55 0.92 1.15 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 54 S 8.38 4.79 0.00 3.79 3.70 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 55 L 8.20 5.01 0.00 1.75 1.43 0.91 0.80 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 56 S 8.56 5.09 0.00 3.84 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 57 M 8.99 4.71 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 58 A 8.35 5.94 1.08 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 0.00 0.00 59 R 8.54 4.86 0.00 1.80 1.85 0.00 3.44 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 60 R 9.06 3.41 0.00 1.66 1.70 0.00 3.17 0.00 0.00 2.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 61 N 8.48 4.52 0.00 2.72 2.70 0.00 0.00 7.13 8.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.98 4.59 0.00 1.64 1.62 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.86 4.80 0.00 2.68 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 64 S 7.56 4.60 0.00 4.09 3.84 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 0.00 0.00 0.00 0.00 65 L 9.42 4.77 0.00 1.62 1.68 0.91 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.19 4.51 0.00 2.03 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 2.14 2.19 0.00 67 A 7.41 4.43 1.25 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 0.00 0.00 0.00 68 R 8.48 3.89 0.00 1.83 2.12 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 69 A 8.94 4.11 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 70 F 8.12 5.16 0.00 2.91 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 71 Q 9.62 4.42 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 72 S 8.71 5.03 0.00 3.94 3.78 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 0.00 0.00 0.00 73 T 9.16 4.51 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 74 P 0.00 4.63 0.00 1.93 2.01 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 75 I 8.95 4.55 1.87 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 1.28 0.67 0.91 0.00 0.00 76 V 8.43 3.68 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 0.68 0.00 0.00 0.93 0.00 0.00 77 V 8.19 4.05 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 0.79 0.00 0.00 0.93 0.00 0.00 78 Q 8.26 4.49 0.00 1.98 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 79 M 7.92 4.57 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 80 T 9.48 4.70 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 1.20 0.00 0.00 81 K 8.67 4.42 0.00 1.86 1.72 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.47 7.81 82 L 8.42 4.80 0.00 1.48 1.48 0.81 0.53 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 83 A 8.88 4.47 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 84 T 7.96 4.56 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 1.25 0.00 0.00 85 T 8.39 4.04 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 1.23 0.00 0.00 86 E 7.73 4.20 0.00 1.92 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 2.32 2.29 0.00 87 E 7.80 4.17 0.00 1.98 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 2.32 2.36 0.00 88 L 7.22 4.21 0.00 1.73 1.45 0.61 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.80 0.00 2.31 2.13 0.00 3.54 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 2.38 2.07 0.00 90 D 8.66 4.60 0.00 2.71 2.80 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 91 E 7.70 4.50 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 92 F 7.59 4.98 0.00 3.15 3.08 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 93 V 8.35 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 0.53 0.00 0.00 1.09 0.00 0.00 94 V 8.21 4.65 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 0.85 0.00 0.00 1.23 0.00 0.00 95 V 9.37 3.92 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 0.98 0.00 0.00 0.96 0.00 0.00 96 T 8.31 4.25 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 97 A 7.92 4.35 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.66 4.06 0.00 1.73 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.