NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4886 8.3349 115.5499 58.5098 64.9017 172.1380 3 D 4.7253 8.7558 119.4040 52.9034 43.0134 174.5363 4 T 4.9766 8.4603 117.9108 61.6671 71.3326 172.9763 5 L 4.6394 8.8020 128.9463 53.4463 44.5158 174.3827 6 Y 5.1405 8.6956 124.6221 56.7278 39.9836 174.8139 7 I 5.0492 8.5469 123.8775 59.5439 41.3728 174.5695 8 K 4.9342 8.7342 126.6307 54.6624 36.0563 174.0661 *10 D 4.6193 8.4736 119.2720 54.2894 41.6152 176.0446 11 Q 4.2357 8.6445 121.0747 59.0873 30.3598 175.5120 12 A 5.0148 7.6102 116.4852 51.0687 22.3557 176.3032 13 V 4.3999 8.4089 121.7023 61.4628 35.1434 173.4831 14 E 4.9077 8.8220 126.7683 55.8264 30.9762 175.6824 15 I 4.8013 8.5131 115.1752 58.9259 41.8375 174.7586 16 T 5.0118 8.2287 110.9545 61.5321 69.0625 174.6584 17 K 4.1892 8.3914 123.6345 57.1242 33.6541 176.5773 18 K 3.8713 10.0321 116.6484 56.1472 30.4211 175.4289 19 Q 4.3821 7.8382 118.0472 55.8463 30.7305 173.2510 20 V 4.3847 8.3980 126.8466 62.1146 33.5105 175.3831 21 T 4.6405 9.3012 117.9752 59.7975 71.5887 175.8100 22 V 3.5929 8.4823 120.9579 65.9302 31.6714 178.0856 23 G 3.7965 7.7967 107.3687 48.5634 0.0000 174.2091 24 D 4.4733 7.7986 118.3227 55.8322 41.0327 177.1169 25 V 4.2438 7.5622 116.1539 62.5465 33.1537 174.7517 26 A 4.9001 7.4850 118.6105 50.9614 22.2232 175.7377 27 K 4.4221 8.7347 119.7457 55.8156 33.7827 176.2274 28 L 5.4140 8.4155 122.5408 53.1934 45.6337 175.9727 29 Q 4.6536 9.2148 120.6421 54.4771 32.9254 173.7731 30 C 5.0502 8.6435 123.0656 57.6476 34.2476 173.6083 31 K 3.8710 9.1907 125.4647 59.6822 31.9515 176.6222 32 N 4.5872 7.8603 118.2644 52.0448 37.6315 174.8122 33 K 4.1424 8.4347 126.5479 58.5888 32.2207 178.0529 34 N 4.0500 8.2791 116.6447 56.4830 38.7650 176.9584 35 I 3.3084 7.7113 121.6873 64.3268 37.1436 178.2419 36 T 3.8405 7.7507 110.0752 65.1182 68.2319 175.7744 37 N 4.3603 8.7133 118.9181 56.0783 38.9468 177.3130 38 R 4.1130 8.1396 119.4907 59.2337 30.0626 178.7225 39 L 4.0781 8.3541 119.6164 58.0940 42.5529 178.4398 40 K 3.9717 8.7118 119.9938 59.3919 33.0707 176.7674 41 S 4.5567 7.5692 112.9594 56.2061 59.3622 173.4433 *43 K 4.3098 7.0578 121.2747 56.5837 33.6018 175.1609 44 L 4.5990 8.3836 120.1731 55.5205 43.8400 176.7270 45 L 4.6303 7.3097 116.4687 54.3919 43.5590 174.9912 46 E 4.6063 8.0685 120.5364 54.8783 31.2941 173.8134 47 D 3.4921 7.6754 116.2262 56.2470 41.7388 178.1204 48 T 4.1217 7.1114 116.9635 60.2309 67.8566 172.7113 *54 R 4.3993 7.9411 126.1036 56.9547 31.5640 174.6137 55 Y 4.7484 9.5321 120.9912 56.0576 41.5440 174.7039 56 I 4.8345 8.3954 121.8547 59.4044 40.5921 174.4573 57 V 4.2823 8.8066 130.6696 61.6628 33.3317 174.6141 58 S 4.9171 8.5484 122.5404 56.2048 64.3586 174.9376 59 I 4.0387 8.2105 129.4868 60.5796 37.4525 177.5286 *61 K 4.2233 8.0521 121.2583 56.3991 33.9522 176.5124 62 I 3.9680 7.2466 117.8943 64.1742 37.6268 177.6517 63 I 3.8306 8.2691 121.5831 64.5844 37.1761 178.2318 64 E 3.8513 8.3267 118.3546 57.2927 29.8633 178.0118 *66 A 4.3673 8.1232 121.4332 51.9757 20.4635 179.5706 67 D 4.4251 8.6107 114.6725 57.6394 40.9536 178.3176 68 Q 4.0991 8.4601 117.3814 58.3872 28.9891 177.3405 69 T 3.9880 7.5015 113.1684 64.2108 69.4334 174.8546 70 F 5.0866 7.6274 118.0614 55.6885 41.4858 175.3035 71 Q 4.2329 8.7590 123.8753 58.0830 30.1193 175.5242 72 N 5.1301 7.8397 115.0259 52.4287 38.3379 174.1672 73 V 4.9236 7.6750 118.1767 61.2028 34.9529 174.9578 74 D 5.0752 8.8462 127.0975 51.7087 42.4402 174.9376 75 I 4.7882 8.1716 120.4637 59.6958 39.7623 174.7712 76 Q 4.4796 8.7474 128.2726 54.1816 31.0494 173.8007 77 N 4.9580 8.8239 126.3763 53.6944 39.0464 174.3339 78 I 4.1894 9.5772 128.1360 61.8103 38.7786 176.7391 79 G 4.1651 7.7824 112.2834 44.8256 0.0000 172.6764 80 E 4.2377 8.6970 123.6945 56.8560 30.3137 176.4603 81 T 4.5863 8.2831 108.3111 61.9854 70.4739 173.7822 82 E 5.1777 7.9275 120.6785 55.2239 33.9437 174.0052 83 C 4.9348 9.1048 123.1405 57.6366 35.4301 172.7537 84 V 4.4442 8.6610 126.5208 61.9616 32.4484 174.5036 85 V 4.7410 9.2696 129.8167 61.3077 33.5060 174.2243 86 E 4.9934 8.7959 125.6000 54.5616 32.3203 174.6558 87 F 5.0332 9.0494 123.2979 56.2272 39.8902 175.9601 88 K 4.1677 8.9781 123.9229 56.6676 33.0982 176.9477 89 T 3.6038 9.1492 116.2068 67.3739 66.3080 170.9905 90 P 4.4407 0.0000 0.0000 61.7041 30.7006 175.7764 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 S 8.33 4.49 0.00 4.02 4.08 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 3 D 8.76 4.73 0.00 2.51 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 4 T 8.46 4.98 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 0.64 0.00 0.00 5 L 8.80 4.64 0.00 1.51 1.35 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.70 5.14 0.00 2.95 2.85 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 7 I 8.55 5.05 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.08 0.94 0.00 0.00 8 K 8.73 4.93 0.00 1.81 1.66 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.39 7.81 *10 D 8.47 4.62 0.00 2.60 2.62 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 11 Q 8.64 4.24 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 12 A 7.61 5.01 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 V 8.41 4.40 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 0.89 0.00 0.00 0.95 0.00 0.00 14 E 8.82 4.91 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 2.27 0.00 15 I 8.51 4.80 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.62 0.74 0.00 0.00 16 T 8.23 5.01 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 1.24 0.00 0.00 17 K 8.39 4.19 0.00 1.73 1.91 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.50 7.81 18 K 10.03 3.87 0.00 1.94 1.97 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.21 7.81 19 Q 7.84 4.38 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 20 V 8.40 4.38 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 0.84 0.00 0.00 0.85 0.00 0.00 21 T 9.30 4.64 4.37 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 1.28 0.00 0.00 22 V 8.48 3.59 2.31 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 0.99 0.00 0.00 0.96 0.00 0.00 23 G 7.80 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 24 D 7.80 4.47 0.00 2.83 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 25 V 7.56 4.24 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 0.78 0.00 0.00 0.91 0.00 0.00 26 A 7.49 4.90 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 27 K 8.73 4.42 0.00 1.80 1.74 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.46 7.81 28 L 8.42 5.41 0.00 1.49 1.53 0.95 0.88 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 29 Q 9.21 4.65 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 30 C 8.64 5.05 0.00 2.85 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 31 K 9.19 3.87 0.00 1.79 1.89 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 32 N 7.86 4.59 0.00 2.73 2.62 0.00 0.00 7.20 6.84 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 33 K 8.43 4.14 0.00 1.87 1.85 0.00 2.06 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.43 7.81 34 N 8.28 4.05 0.00 2.75 3.01 0.00 0.00 7.24 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 35 I 7.71 3.31 1.77 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 0.46 0.19 0.24 0.00 0.00 36 T 7.75 3.84 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 1.20 0.00 0.00 37 N 8.71 4.36 0.00 2.78 2.95 0.00 0.00 7.12 6.86 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 38 R 8.14 4.11 0.00 2.43 2.20 0.00 3.28 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 39 L 8.35 4.08 0.00 1.99 1.83 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.71 3.97 0.00 2.10 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.50 7.81 41 S 7.57 4.56 0.00 3.97 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 *43 K 7.06 4.31 0.00 1.79 1.77 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.53 7.81 44 L 8.38 4.60 0.00 1.63 1.68 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.31 4.63 0.00 1.64 1.70 1.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.07 4.61 0.00 1.86 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 2.08 2.43 0.00 47 D 7.68 3.49 0.00 2.07 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 48 T 7.11 4.12 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 1.18 0.00 0.00 *54 R 7.94 4.40 0.00 1.86 1.99 0.00 3.18 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 55 Y 9.53 4.75 0.00 2.95 2.94 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 0.00 0.00 0.00 56 I 8.40 4.83 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 0.92 0.00 0.00 57 V 8.81 4.28 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 0.96 0.00 0.00 0.98 0.00 0.00 58 S 8.55 4.92 0.00 3.96 3.71 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 59 I 8.21 4.04 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.29 0.92 0.00 0.00 *61 K 8.05 4.22 0.00 1.78 2.11 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.55 7.81 62 I 7.25 3.97 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.95 0.00 0.00 63 I 8.27 3.83 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 1.19 0.80 0.92 0.00 0.00 64 E 8.33 3.85 0.00 2.00 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 2.38 2.33 0.00 *66 A 8.12 4.37 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.61 4.43 0.00 2.80 2.75 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 68 Q 8.46 4.10 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 69 T 7.50 3.99 3.19 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 0.00 0.00 0.00 0.56 0.00 0.00 70 F 7.63 5.09 0.00 3.03 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 71 Q 8.76 4.23 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.45 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 72 N 7.84 5.13 0.00 2.84 2.62 0.00 0.00 6.61 7.71 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 73 V 7.67 4.92 2.14 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 0.80 0.00 0.00 0.77 0.00 0.00 74 D 8.85 5.08 0.00 2.77 2.70 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 75 I 8.17 4.79 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.46 0.89 0.00 0.00 76 Q 8.75 4.48 0.00 1.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 77 N 8.82 4.96 0.00 2.79 2.73 0.00 0.00 7.16 7.94 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 78 I 9.58 4.19 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.93 0.00 0.00 79 G 7.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 4.24 0.00 1.98 1.92 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 2.32 2.25 0.00 81 T 8.28 4.59 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 1.27 0.00 0.00 82 E 7.93 5.18 0.00 1.83 1.84 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 2.22 2.26 0.00 83 C 9.10 4.93 0.00 3.06 2.72 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 0.00 0.00 0.00 0.00 84 V 8.66 4.44 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 0.87 0.00 0.00 0.94 0.00 0.00 85 V 9.27 4.74 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 0.56 0.00 0.00 0.91 0.00 0.00 86 E 8.80 4.99 0.00 2.08 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 2.29 2.20 0.00 87 F 9.05 5.03 0.00 2.99 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 88 K 8.98 4.17 0.00 1.67 1.77 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.49 7.81 89 T 9.15 3.60 4.27 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 1.23 0.00 0.00 90 P 0.00 4.44 0.00 2.09 1.96 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.