NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.6423 8.3649 120.5267 54.5911 41.8322 173.1057 8 K 4.3296 8.2864 117.4355 56.9880 36.3934 174.9715 9 T 3.9828 8.6258 114.1844 62.6085 68.9383 174.2979 10 Y 3.9969 8.7679 124.3023 61.2019 38.1333 177.4468 11 E 4.0282 8.2578 118.7095 59.7778 30.0184 178.6696 12 E 3.6881 7.8619 114.4830 57.9144 30.6171 179.4358 *14 V 4.0084 7.8671 120.6477 62.8512 33.5385 177.3729 15 K 3.8881 8.6302 120.6310 59.4432 31.9231 178.2803 16 E 3.8798 8.5941 119.7972 59.3361 29.7160 178.7771 17 V 3.5472 7.7507 117.6960 66.1003 31.5489 177.4150 18 E 3.9153 8.4466 119.1567 59.2657 29.5012 178.5151 19 R 3.8782 8.0975 118.7631 59.6392 30.0765 178.3503 20 L 4.1407 8.0122 118.3339 57.1733 41.7976 179.3573 21 K 4.0825 7.9322 118.4976 58.8296 31.9878 179.4762 22 L 3.9741 8.0639 119.6246 57.8412 41.7260 179.0655 23 E 3.9693 8.1355 119.1173 59.1140 29.4816 178.3147 24 N 4.3629 8.2557 117.4121 56.1488 38.9224 176.8199 25 K 3.8929 7.9836 121.0454 59.6603 32.4419 178.7126 26 T 3.8693 7.9287 116.0480 66.9893 68.3512 176.1671 27 L 4.0716 7.8828 120.3942 57.8918 41.4061 179.8311 28 K 4.0438 7.6601 116.9501 59.0434 32.0366 178.9347 29 Q 4.1036 8.4245 119.9329 58.7944 29.0232 177.7594 30 K 4.1075 8.2784 119.1698 60.2457 32.2426 178.8338 31 V 3.5522 7.5137 111.8480 63.1608 32.4721 176.6851 *39 S 4.2349 7.5819 116.7737 58.2663 63.5019 173.9633 40 D 4.6277 7.6890 125.7260 53.0209 41.5611 176.0209 41 D 4.7422 7.5941 118.7523 52.3395 42.1061 175.3063 42 S 4.4282 8.2259 121.7717 57.8709 63.7796 174.3897 43 I 4.0726 7.9218 122.9618 60.4612 37.7558 176.1899 44 L 4.1233 8.3191 125.8945 55.4544 42.9091 176.7865 45 T 4.5811 8.1352 120.2560 61.6330 71.9544 175.5972 46 A 3.9781 8.6267 125.7006 55.6608 18.2712 180.2960 47 A 3.9046 7.8817 118.2822 55.0660 18.5547 179.2936 48 K 3.7558 8.0655 117.7433 59.7793 32.1168 178.4403 49 R 3.8530 8.4082 118.9554 59.6024 29.9446 177.9191 50 E 3.9003 8.0197 118.5093 59.3647 29.6446 178.7180 51 S 4.0973 8.7303 113.4023 61.5643 62.4833 176.2778 52 I 3.7899 8.0696 122.7083 64.3074 36.7861 178.6089 53 I 3.7494 7.9939 121.0822 64.3534 37.0629 178.6150 54 V 3.6380 8.1524 119.4744 66.0094 31.2685 178.2439 55 S 4.3458 8.1186 114.7989 61.7671 62.7684 176.4578 56 S 4.1820 8.1285 117.6691 61.9606 62.6581 177.1512 57 S 4.0944 8.0884 117.3674 61.8034 62.6155 177.0102 58 R 3.7127 7.8289 120.1294 58.9902 29.7858 178.9557 59 A 4.0665 8.4751 120.8356 55.4323 18.4649 179.8208 60 L 4.1230 8.4534 117.7483 57.6243 41.3490 180.1347 61 G 3.5071 8.2476 105.6248 47.5175 0.0000 175.3300 62 A 4.1348 7.8006 122.3351 54.9194 18.7504 179.5449 63 V 3.7266 7.6929 116.0282 65.9394 31.4777 179.0147 64 A 4.0385 7.9993 118.2309 52.6761 18.1441 179.2063 *66 R 4.1924 8.0048 119.5549 57.7108 31.7308 178.0050 67 K 3.9626 8.2409 118.0728 59.2666 31.8979 179.2319 68 I 3.6657 7.9667 120.3263 64.4077 37.0756 178.0280 69 E 3.8805 8.1811 119.2436 59.1778 29.4931 178.2678 70 A 3.9432 7.9763 120.6615 55.2586 18.4425 179.5966 71 K 3.8353 8.2402 116.6971 59.6691 32.1474 179.4874 72 V 3.5604 7.9958 118.5098 66.2254 31.2357 177.7333 73 R 3.8539 8.2613 117.5805 59.6339 30.2148 178.1402 74 S 4.2215 8.4407 113.0452 61.5450 62.3129 176.1911 75 R 4.1296 8.5510 118.4196 57.8163 30.2867 177.7129 76 A 4.3878 8.1719 119.7237 52.5385 19.0630 178.5459 77 A 3.9709 7.3525 118.7250 55.1248 18.4282 179.1607 78 K 4.0031 8.0032 114.6343 59.2457 33.1538 177.5830 79 A 4.1563 7.7892 122.4791 52.3356 18.6384 177.2025 80 V 4.4244 8.7526 118.2992 61.4864 33.4726 175.8170 81 T 4.7696 7.5460 108.7053 59.7833 73.0318 174.3396 82 E 4.0185 8.5944 121.0987 59.6057 29.5044 179.7094 83 Q 3.9550 7.9530 117.4795 59.0010 28.9495 178.2331 84 E 3.9173 8.3517 119.7231 59.4477 29.5985 179.1695 85 L 3.9345 8.3178 120.4380 58.7460 42.2734 179.2755 86 T 3.9213 8.1027 115.5985 66.4353 68.1839 176.8241 87 S 4.0644 8.5762 115.6190 61.2103 62.2491 175.9645 88 L 3.9454 8.0991 122.0942 58.0715 42.0979 178.4837 89 L 4.1281 7.9188 118.8281 58.0738 41.4017 179.3859 90 Q 4.0214 7.6737 116.1927 59.0813 28.8397 178.8485 91 S 4.3840 7.5886 111.7505 58.2939 63.6181 174.3289 92 L 4.1819 7.4705 124.2284 55.0813 41.9518 176.5747 93 T 4.6264 8.3368 118.9937 61.6768 71.8142 173.2090 94 L 4.7015 8.4810 125.5653 52.7433 44.6448 175.6738 95 R 4.4168 8.5396 123.5173 54.7083 31.0754 175.3815 96 V 4.4023 8.2053 124.3564 61.0384 34.1675 173.9636 97 D 4.8941 8.6035 126.5568 52.9721 42.2419 176.3031 98 V 4.7547 8.0947 115.7795 59.7731 36.3437 175.0280 99 S 4.3002 8.2896 120.2088 57.4637 62.8882 175.2562 *101 E 4.3523 8.8124 118.4476 55.7942 30.7867 176.0891 102 E 4.4913 8.0603 117.4996 56.2907 30.1667 176.0533 103 L 5.1714 7.7082 123.8085 54.7085 41.6393 176.8204 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 7 D 8.36 4.64 0.00 2.65 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 8 K 8.29 4.33 0.00 1.68 1.69 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 9 T 8.63 3.98 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 1.30 0.00 0.00 10 Y 8.77 4.00 0.00 2.99 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.26 4.03 0.00 2.06 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 2.45 2.40 0.00 12 E 7.86 3.69 0.00 2.13 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 *14 V 7.87 4.01 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 1.08 0.00 0.00 1.15 0.00 0.00 15 K 8.63 3.89 0.00 1.88 1.97 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 16 E 8.59 3.88 0.00 2.18 1.91 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 2.29 2.35 0.00 17 V 7.75 3.55 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 0.97 0.00 0.00 0.90 0.00 0.00 18 E 8.45 3.92 0.00 2.11 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 2.31 2.36 0.00 19 R 8.10 3.88 0.00 2.04 2.14 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 20 L 8.01 4.14 0.00 1.91 1.69 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.93 4.08 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.75 7.81 22 L 8.06 3.97 0.00 1.92 1.70 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.14 3.97 0.00 2.05 1.94 0.00 0.00 0.00 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 2.31 0.00 24 N 8.26 4.36 0.00 2.91 2.89 0.00 0.00 6.73 5.52 0.00 0.00 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 K 7.98 3.89 0.00 2.02 1.90 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 26 T 7.93 3.87 4.39 0.00 0.00 0.00 0.00 0.00 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 27 L 7.88 4.07 0.00 1.86 1.72 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.66 4.04 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.64 7.81 29 Q 8.42 4.10 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 30 K 8.28 4.11 0.00 1.92 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.67 7.81 31 V 7.51 3.55 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 0.74 0.00 0.00 1.00 0.00 0.00 *39 S 7.58 4.23 0.00 3.85 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 40 D 7.69 4.63 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.59 4.74 0.00 2.61 2.55 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 42 S 8.23 4.43 0.00 3.90 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 43 I 7.92 4.07 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 1.30 0.35 0.91 0.00 0.00 44 L 8.32 4.12 0.00 1.58 1.57 0.92 0.94 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 45 T 8.14 4.58 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 46 A 8.63 3.98 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.88 3.90 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.07 3.76 0.00 1.88 2.03 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.58 7.81 49 R 8.41 3.85 0.00 1.87 1.92 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 50 E 8.02 3.90 0.00 2.34 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 2.31 2.38 0.00 51 S 8.73 4.10 0.00 4.04 3.97 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 0.00 0.00 0.00 52 I 8.07 3.79 2.03 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 1.81 0.71 0.92 0.00 0.00 53 I 7.99 3.75 2.01 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 1.72 1.08 0.91 0.00 0.00 54 V 8.15 3.64 2.12 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 1.05 0.00 0.00 1.03 0.00 0.00 55 S 8.12 4.35 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.18 0.00 3.90 3.95 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 57 S 8.09 4.09 0.00 4.01 3.88 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 0.00 0.00 0.00 58 R 7.83 3.71 0.00 1.60 0.92 0.00 2.82 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 1.33 1.65 0.00 59 A 8.48 4.07 1.42 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 60 L 8.45 4.12 0.00 1.85 1.73 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.25 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.13 1.40 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 0.00 0.00 63 V 7.69 3.73 2.22 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 1.00 0.00 0.00 1.00 0.00 0.00 64 A 8.00 4.04 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 *66 R 8.00 4.19 0.00 2.03 2.25 0.00 2.98 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 67 K 8.24 3.96 0.00 1.92 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 68 I 7.97 3.67 1.91 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 1.40 0.80 0.91 0.00 0.00 69 E 8.18 3.88 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 70 A 7.98 3.94 1.42 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 71 K 8.24 3.84 0.00 1.80 1.88 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 72 V 8.00 3.56 2.26 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 1.07 0.00 0.00 1.01 0.00 0.00 73 R 8.26 3.85 0.00 1.81 2.20 0.00 3.32 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 1.65 1.66 0.00 74 S 8.44 4.22 0.00 3.97 3.97 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 0.00 0.00 0.00 75 R 8.55 4.13 0.00 1.78 1.97 0.00 3.20 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 76 A 8.17 4.39 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 77 A 7.35 3.97 1.42 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 78 K 8.00 4.00 0.00 1.87 1.96 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.43 7.81 79 A 7.79 4.16 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 80 V 8.75 4.42 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 0.85 0.00 0.00 0.93 0.00 0.00 81 T 7.55 4.77 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 1.23 0.00 0.00 82 E 8.59 4.02 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 83 Q 7.95 3.95 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 84 E 8.35 3.92 0.00 2.13 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 2.33 2.33 0.00 85 L 8.32 3.93 0.00 1.75 1.86 0.92 0.88 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 86 T 8.10 3.92 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 87 S 8.58 4.06 0.00 3.85 4.09 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 0.00 0.00 0.00 0.00 88 L 8.10 3.95 0.00 1.72 1.89 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.92 4.13 0.00 1.74 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.67 4.02 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.74 0.00 91 S 7.59 4.38 0.00 3.97 3.98 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 92 L 7.47 4.18 0.00 1.84 1.65 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.34 4.63 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 94 L 8.48 4.70 0.00 1.58 1.53 0.92 0.92 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 95 R 8.54 4.42 0.00 1.76 1.82 0.00 3.17 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 96 V 8.21 4.40 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 0.90 0.00 0.00 0.93 0.00 0.00 97 D 8.60 4.89 0.00 2.70 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 98 V 8.09 4.75 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 0.70 0.00 0.00 0.93 0.00 0.00 99 S 8.29 4.30 0.00 3.79 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 E 8.81 4.35 0.00 2.14 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 0.00 2.18 2.34 0.00 102 E 8.06 4.49 0.00 2.17 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 2.27 2.26 0.00 103 L 7.71 5.17 0.00 1.64 1.61 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.