NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 H 4.7347 8.4449 117.3730 54.2302 30.0753 173.2528 -2 H 4.2206 8.1079 116.9766 55.7702 28.9819 174.1633 -1 S 4.3560 9.6825 118.0230 61.8355 64.5609 173.8948 0 H 4.8642 7.5936 113.7905 55.6597 26.6951 178.1370 -1 N 4.6260 9.7725 121.0230 56.6355 39.6609 174.4948 0 S 4.6042 7.4836 111.2905 58.9597 61.4951 178.6370 4 C 4.8018 9.0287 126.1106 57.9816 30.7541 173.3543 5 I 4.9497 8.3741 124.6273 59.4463 39.3865 175.1520 6 L 4.7546 8.8002 126.4899 52.9083 45.9499 175.5579 7 Q 4.9383 8.6220 121.1537 55.0142 30.0275 174.8396 8 A 4.8961 9.0488 124.3272 51.2840 23.7708 174.5273 9 T 4.9957 8.8113 115.9834 61.5218 71.4779 174.4915 10 V 4.1321 8.8194 127.1565 63.3938 32.0765 176.4633 11 V 4.3285 8.8672 120.5501 61.1890 33.4894 175.6772 12 E 4.4693 8.0360 121.0082 54.3331 31.3523 174.5703 13 A 4.1263 8.7521 130.2943 51.4777 19.0964 175.1011 14 P 4.6884 0.0000 0.0000 63.3461 32.2941 175.6914 15 Q 4.6064 8.9291 120.3814 54.0645 32.3612 174.0241 16 L 5.3176 8.5348 125.1555 53.4786 45.3148 175.0862 17 R 4.7673 8.3151 119.6304 55.8503 33.5232 172.8109 18 Y 4.5667 8.6155 115.8679 56.1081 40.0125 176.3942 19 A 4.4610 8.8186 127.0278 51.4035 20.0355 177.4965 20 Q 3.9551 8.4454 114.6858 59.6619 28.0916 179.0386 21 D 4.4113 8.2437 117.4782 54.9694 39.3637 177.3596 22 N 4.4652 9.0014 116.4285 54.0794 36.4534 174.9550 23 Q 4.5566 8.0325 112.2700 56.7500 31.5875 175.0186 24 T 4.4724 8.9307 116.9438 61.7012 69.8103 173.0971 25 P 4.1600 0.0000 0.0000 62.2311 33.1684 175.8810 26 V 4.3753 8.4334 122.3656 59.8043 34.5314 173.9542 27 A 5.0918 8.6470 126.8807 49.9858 22.0499 174.7410 28 E 5.4782 8.5498 119.4245 53.2696 34.3339 175.1048 *30 V 4.3565 8.1034 120.0211 63.1372 33.2081 174.5703 31 V 5.0740 8.7427 119.4069 59.5905 36.1428 174.0582 32 Q 5.2398 9.2568 122.8196 54.4713 32.3285 173.9971 33 F 5.3612 8.5479 119.4686 54.2259 41.9087 172.4374 34 P 4.6590 0.0000 0.0000 62.7613 33.4316 174.9545 35 G 3.4229 8.8586 113.3110 46.6663 0.0000 175.8898 *41 A 4.0881 8.8811 121.0392 50.8248 20.1612 175.9438 42 P 4.3083 0.0000 0.0000 62.5759 32.1964 176.1762 43 A 4.4184 8.1458 123.4671 50.6910 20.8930 176.2360 44 R 5.0249 8.2617 119.2029 54.2995 32.8180 175.4158 45 L 4.8381 9.1388 124.9723 53.0546 45.8194 175.2952 46 K 4.4497 8.7719 127.5322 56.3259 33.9551 175.3972 47 V 4.9719 8.3586 125.8179 61.1133 34.9629 174.0890 48 V 4.8093 8.9557 126.9249 61.0587 35.0172 174.3255 49 G 4.5183 9.0099 113.5224 44.2430 0.0000 171.3983 50 W 5.0872 8.7431 121.5478 54.7651 32.6050 177.5615 51 G 3.6932 9.3893 110.5977 46.5219 0.0000 176.3151 52 A 4.0129 8.8159 122.3176 55.3464 18.1170 179.8136 53 V 3.6834 7.8219 116.4813 64.3703 31.6632 178.3854 54 A 3.8614 7.7990 121.9043 55.1545 18.1518 179.3654 55 Q 3.8803 7.9388 117.6366 59.1039 29.2092 177.8254 56 E 3.9042 8.0847 120.4619 59.1254 29.6535 178.6990 57 L 3.9477 8.1418 119.3350 58.0176 41.5207 179.3725 58 Q 3.9258 7.8032 117.9134 59.2939 29.0134 177.6991 59 D 4.5085 8.2260 119.2647 56.3715 40.9723 177.3480 60 R 4.4485 7.8955 116.7333 57.1089 32.0676 176.4774 61 C 4.4877 8.0599 115.8309 59.2256 28.9381 173.1558 62 R 4.6899 8.9250 122.5006 53.5276 33.8810 174.3101 63 L 3.9830 8.3578 120.5169 57.3002 42.1134 177.4476 64 N 4.5364 9.1008 121.7031 53.3767 37.5816 174.4787 65 D 4.5594 8.0371 119.2847 54.3354 42.2218 175.1041 66 E 5.0028 8.7280 121.8545 55.0434 31.2273 175.4807 67 V 4.7189 8.8828 117.5107 59.5167 36.7604 174.3480 68 V 4.7973 8.7607 120.9858 61.2737 34.0589 174.2129 69 L 5.2136 9.0200 127.4151 52.8308 45.2872 174.8906 70 E 4.8911 8.8046 123.9815 54.8411 32.5148 175.1713 71 G 4.0879 8.4663 112.6738 46.3076 0.0000 171.3576 72 R 5.5055 8.2775 118.8475 54.1036 33.1970 175.5162 73 L 4.4582 8.8472 125.6436 55.1274 43.1586 175.8978 74 R 4.7347 9.1822 125.2621 54.7469 34.1811 173.7553 75 I 5.1130 8.4465 125.1483 59.7087 40.0656 174.3097 76 N 5.1783 9.2106 127.2672 51.6688 40.4062 174.7097 77 S 5.0444 8.4998 117.8619 56.9030 65.9312 174.5046 *86 E 4.2952 8.4172 120.3618 55.5591 31.7665 176.3584 87 K 4.5380 8.1389 119.3235 54.1355 33.7667 178.4715 88 Q 4.6206 8.7790 123.7679 53.9390 31.9519 174.4434 89 T 4.8015 8.6569 123.2429 63.5366 69.7263 173.7492 90 E 4.9070 9.5244 125.1811 54.7636 34.0390 173.3907 91 L 4.9275 8.7330 128.0103 53.7385 44.3010 175.3386 92 T 4.8122 8.6904 124.6782 62.5017 69.4494 174.6318 93 V 4.0726 8.9306 128.3719 63.6531 31.6519 175.4328 94 T 4.5151 9.4813 124.3143 65.0898 70.3049 174.7996 95 R 4.8541 7.7300 118.2486 54.5461 35.0313 174.3267 96 V 4.9275 8.2654 119.3975 60.3964 34.8278 173.9582 97 H 4.8511 9.3909 122.8218 54.6433 32.8903 172.9454 98 H 4.5273 8.6410 123.9863 56.2686 29.8479 173.6549 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 *-3 H 8.44 4.73 0.00 2.95 3.01 0.00 7.18 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.11 4.22 0.00 3.22 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 S 9.68 4.36 0.00 3.90 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 0 H 7.59 4.86 0.00 3.11 2.37 0.00 5.98 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 9.77 4.63 0.00 2.84 2.85 0.00 0.00 6.91 7.89 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 S 7.48 4.60 0.00 3.71 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 4 C 9.03 4.80 0.00 2.83 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 5 I 8.37 4.95 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.58 0.88 0.00 0.00 6 L 8.80 4.75 0.00 1.36 1.23 0.43 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.62 4.94 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 8 A 9.05 4.90 1.29 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 0.00 0.00 0.00 9 T 8.81 5.00 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 1.27 0.00 0.00 10 V 8.82 4.13 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 1.01 0.00 0.00 0.95 0.00 0.00 11 V 8.87 4.33 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 0.96 0.00 0.00 12 E 8.04 4.47 0.00 1.91 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 2.17 2.30 0.00 13 A 8.75 4.13 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 14 P 0.00 4.69 0.00 2.04 2.03 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 15 Q 8.93 4.61 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 16 L 8.53 5.32 0.00 1.51 1.56 0.79 0.77 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 17 R 8.32 4.77 0.00 1.96 1.99 0.00 2.79 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 18 Y 8.62 4.57 0.00 2.98 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 19 A 8.82 4.46 1.57 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 0.00 0.00 20 Q 8.45 3.96 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 21 D 8.24 4.41 0.00 3.10 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 22 N 9.00 4.47 0.00 2.91 3.00 0.00 0.00 6.72 6.72 0.00 0.00 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 Q 8.03 4.56 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 24 T 8.93 4.47 4.50 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 1.41 0.00 0.00 25 P 0.00 4.16 0.00 1.85 1.43 0.00 3.51 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 26 V 8.43 4.38 1.01 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 0.39 0.00 0.00 -0.48 0.00 0.00 27 A 8.65 5.09 1.11 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 0.00 0.00 28 E 8.55 5.48 0.00 1.81 1.73 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 2.06 1.86 0.00 *30 V 8.10 4.36 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 1.08 0.00 0.00 0.98 0.00 0.00 31 V 8.74 5.07 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 0.63 0.00 0.00 1.09 0.00 0.00 32 Q 9.26 5.24 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 33 F 8.55 5.36 0.00 3.15 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 34 P 0.00 4.66 0.00 2.13 2.06 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 35 G 8.86 3.42 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 *41 A 8.88 4.09 1.23 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 0.00 0.00 0.00 42 P 0.00 4.31 0.00 1.97 1.91 0.00 3.61 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 1.98 2.03 0.00 43 A 8.15 4.42 0.35 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 44 R 8.26 5.02 0.00 1.63 1.82 0.00 3.12 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 45 L 9.14 4.84 0.00 2.01 1.71 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.77 4.45 0.00 1.90 1.82 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.51 1.43 7.81 47 V 8.36 4.97 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 0.96 0.00 0.00 0.99 0.00 0.00 48 V 8.96 4.81 2.29 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 0.49 0.00 0.00 1.01 0.00 0.00 49 G 9.01 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.74 5.09 0.00 3.10 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 51 G 9.39 3.69 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 0.00 0.00 0.00 52 A 8.82 4.01 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 53 V 7.82 3.68 2.11 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 1.07 0.00 0.00 0.94 0.00 0.00 54 A 7.80 3.86 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 55 Q 7.94 3.88 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 56 E 8.08 3.90 0.00 2.10 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 0.00 2.30 2.35 0.00 57 L 8.14 3.95 0.00 1.84 1.66 0.87 1.03 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 58 Q 7.80 3.93 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 59 D 8.23 4.51 0.00 2.85 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 60 R 7.90 4.45 0.00 1.79 1.97 0.00 3.32 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 61 C 8.06 4.49 0.00 3.05 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 62 R 8.93 4.69 0.00 1.86 1.75 0.00 3.31 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 63 L 8.36 3.98 0.00 1.59 1.60 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.10 4.54 0.00 2.93 3.01 0.00 0.00 7.05 8.06 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 65 D 8.04 4.56 0.00 2.61 2.29 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 0.00 66 E 8.73 5.00 0.00 1.86 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 2.24 2.33 0.00 67 V 8.88 4.72 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 0.55 0.00 0.00 0.96 0.00 0.00 68 V 8.76 4.80 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 1.06 0.00 0.00 0.96 0.00 0.00 69 L 9.02 5.21 0.00 1.53 1.48 0.91 0.46 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 70 E 8.80 4.89 0.00 1.98 1.75 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 2.18 2.21 0.00 71 G 8.47 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 0.00 0.00 0.00 72 R 8.28 5.51 0.00 1.69 1.74 0.00 3.03 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.50 0.00 73 L 8.85 4.46 0.00 1.62 1.55 0.98 0.85 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 74 R 9.18 4.73 0.00 1.86 1.87 0.00 3.12 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 75 I 8.45 5.11 1.88 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 1.42 0.80 0.92 0.00 0.00 76 N 9.21 5.18 0.00 2.80 2.92 0.00 0.00 6.46 7.13 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 77 S 8.50 5.04 0.00 3.60 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 E 8.42 4.30 0.00 2.01 1.73 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 2.13 1.88 0.00 87 K 8.14 4.54 0.00 1.77 1.62 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.34 0.99 7.81 88 Q 8.78 4.62 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 89 T 8.66 4.80 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 1.25 0.00 0.00 90 E 9.52 4.91 0.00 1.97 1.75 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 2.25 2.29 0.00 91 L 8.73 4.93 0.00 1.80 1.51 0.89 0.58 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 92 T 8.69 4.81 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 1.39 0.00 0.00 93 V 8.93 4.07 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 0.83 0.00 0.00 0.93 0.00 0.00 94 T 9.48 4.52 4.34 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 1.23 0.00 0.00 95 R 7.73 4.85 0.00 1.82 1.76 0.00 3.27 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 96 V 8.27 4.93 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 97 H 9.39 4.85 0.00 3.23 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 8.64 4.53 0.00 3.05 3.04 0.00 5.83 0.00 0.00 0.00 0.00 6.91 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.