NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 K 4.3137 8.2993 119.9929 56.7128 33.8174 174.7334 16 I 4.4167 8.3093 117.2633 58.7376 39.4957 173.5788 17 N 4.9239 9.6355 122.0216 51.3088 41.4976 175.6038 18 P 4.6325 0.0000 0.0000 62.7299 30.7649 178.6284 *20 D 4.5295 8.1626 119.4162 54.3837 43.1774 178.4041 21 F 3.9679 8.1533 117.9252 60.3194 38.7269 177.5213 22 T 4.1538 7.8077 108.8420 64.1084 68.8583 176.8333 23 F 4.4929 7.7474 120.5294 60.7096 38.9651 177.5242 24 V 3.7375 8.0954 117.8935 65.6196 31.2269 177.6748 25 E 3.8959 8.1568 119.1634 59.2591 29.4102 178.6430 26 I 3.5427 8.0988 120.4269 64.5773 37.2466 178.0840 27 N 4.1800 7.9576 116.6207 54.9746 37.2400 176.8475 28 E 3.8614 8.2095 121.6247 59.4765 29.6021 178.8207 29 A 3.9621 8.1203 120.7232 55.2693 18.4208 179.4455 30 V 3.6594 8.1379 117.1452 66.5556 31.3010 178.4771 31 K 4.2970 7.9374 117.7618 58.6825 32.1376 178.8679 32 L 4.1555 7.9404 119.4970 58.1652 41.4250 179.8934 33 V 4.0034 7.5913 117.6275 65.3148 31.1474 178.3903 34 E 4.2554 8.5071 116.5061 56.7131 28.8937 178.3320 *36 G 3.9525 7.8347 105.6397 45.3765 0.0000 174.5624 37 V 3.9052 7.8464 111.4663 61.5116 32.1047 175.2814 38 A 4.4446 7.3121 121.9864 51.9047 21.8108 174.9442 39 T 4.6951 7.8324 108.8097 58.9747 71.5565 173.6135 40 P 2.9700 0.0000 0.0000 65.4772 30.9005 178.8379 41 Q 3.9393 7.7037 116.4845 58.9319 28.9194 177.7714 42 D 4.4583 7.9755 119.3574 57.9158 40.8415 178.9714 43 I 3.7851 7.6433 120.4495 64.1658 37.1684 177.7228 44 D 4.5833 8.5870 119.6345 57.9968 40.8280 179.5700 45 T 3.8619 8.3728 110.0004 64.9318 68.8358 176.3875 46 A 3.7874 8.0807 124.0046 54.5751 18.2368 179.7225 47 I 3.6356 8.0010 118.3944 64.5434 37.3747 178.6463 48 K 4.0020 8.5205 119.5519 59.5906 31.7880 179.4201 49 L 4.0658 8.7386 119.9658 57.7843 41.5055 179.7201 50 G 3.6050 8.3307 107.1119 48.2904 0.0000 174.2940 51 L 4.2541 8.5482 117.7146 53.7028 42.6787 175.9002 52 N 4.4335 7.7245 116.3855 53.2831 37.3315 171.6002 53 R 4.7248 7.2093 114.1057 53.7231 33.5314 173.9446 54 P 4.1294 0.0000 0.0000 63.7744 31.9003 176.3734 55 F 5.8241 7.0158 116.0895 53.9764 41.7852 175.6779 56 G 4.0075 9.2522 111.9643 43.6441 0.0000 172.7210 57 P 4.1921 0.0000 0.0000 65.6306 31.2051 178.7798 58 F 4.2579 9.1606 116.6419 60.3321 39.0748 177.9877 59 E 3.9736 8.1597 117.7735 59.2718 29.2504 179.0203 60 L 3.9121 8.4629 119.2641 58.0071 41.8079 179.2793 61 A 4.1335 8.2721 120.5940 55.2566 18.1039 179.4138 62 K 3.8146 8.7110 117.5733 60.0645 32.3497 178.2437 63 Q 3.8699 8.6146 117.4987 59.5349 28.6738 179.5717 64 F 4.4335 8.3645 117.9861 60.4916 39.8773 176.3051 65 G 4.0903 8.6630 107.4641 44.8060 0.0000 174.3012 66 A 3.9480 9.1076 126.3026 55.0822 18.2657 179.2289 67 E 3.8347 8.2702 115.6512 60.0023 29.3850 179.2822 68 Q 3.8388 7.8962 120.3212 58.5572 29.3296 177.9101 69 I 2.6776 7.2955 120.0833 63.9642 36.9115 178.0745 70 A 3.8280 7.7630 121.3072 54.9239 18.2342 179.2723 71 K 3.5950 7.7397 117.5505 59.8529 32.2539 178.8261 72 R 3.8436 7.7193 118.0412 59.4081 30.0202 178.2977 73 L 4.0543 8.2230 119.1066 58.2364 41.5635 178.7031 74 E 3.8959 9.1438 118.7508 59.7241 29.3818 179.3607 75 E 3.8309 8.1967 117.4595 59.7932 29.6794 180.1127 76 L 3.9103 7.9053 118.0822 57.4623 41.6078 179.3745 77 A 4.0881 8.2201 121.0791 55.1744 18.1151 179.8173 78 K 3.8304 7.7189 115.6861 59.6173 32.2051 178.9859 79 Q 3.7543 7.5759 118.5155 58.4438 28.9004 177.2946 80 F 4.6931 7.8927 116.8061 57.0975 40.6332 176.6358 81 G 3.9666 8.4945 104.9092 46.5257 0.0000 173.3922 82 K 4.6803 8.0216 117.7434 54.0103 34.4923 177.7843 83 K 3.9695 8.6040 122.6061 59.5354 32.3858 178.9506 84 I 3.5751 7.6114 117.7687 63.4674 37.9322 176.4004 85 F 4.5092 7.6448 117.4607 58.5681 39.3411 176.0505 86 E 4.1858 7.8726 120.7830 55.2633 29.7380 174.9848 87 P 4.2719 0.0000 0.0000 61.9145 32.1276 176.7285 88 A 4.0541 8.6744 124.6794 52.7122 20.0189 178.5428 89 K 3.9254 8.7396 122.1825 59.8676 32.0646 180.0281 90 T 3.8959 8.4845 115.6434 67.3541 68.4553 175.6208 91 L 4.0984 8.0033 120.7225 56.6268 41.6079 178.7835 92 K 3.8639 8.2211 122.0980 58.5944 32.6415 176.7146 93 E 4.5425 7.6947 117.7796 55.7171 30.6620 176.3242 94 G 4.0625 9.9227 103.5122 45.9477 0.0000 175.9027 95 K 4.4262 8.0565 117.9502 56.4850 32.0131 178.6550 96 L 3.9381 8.2466 124.7589 58.6048 41.4507 178.6394 97 E 4.0644 8.1120 118.1806 59.1881 29.3520 178.8474 98 E 4.0572 7.6369 116.2661 58.8379 29.9009 178.6972 99 L 4.1141 7.8458 121.9633 57.9210 42.1153 178.4504 100 L 3.8607 7.9965 118.4997 57.8096 41.3126 179.1926 101 K 3.8013 7.6977 117.3887 60.1114 31.6914 178.2117 102 A 4.0540 7.9408 120.2466 56.0208 17.9785 179.9076 103 G 3.6003 7.7769 103.3632 46.9622 0.0000 175.5329 104 K 4.1313 8.0835 120.1778 59.4172 32.4402 178.6972 105 A 4.1197 9.6236 119.5426 54.1686 18.4144 177.2114 106 E 4.1689 8.0127 119.1032 56.5911 30.8780 175.4975 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 15 K 8.30 4.31 0.00 1.90 1.91 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.45 7.81 16 I 8.31 4.42 1.94 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 1.06 0.00 0.00 17 N 9.64 4.92 0.00 2.86 2.79 0.00 0.00 7.00 8.87 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 18 P 0.00 4.63 0.00 2.17 2.05 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 *20 D 8.16 4.53 0.00 2.81 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 21 F 8.15 3.97 0.00 3.31 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 22 T 7.81 4.15 4.30 0.00 0.00 0.00 0.00 0.00 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 23 F 7.75 4.49 0.00 3.19 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 24 V 8.10 3.74 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 0.75 0.00 0.00 0.91 0.00 0.00 25 E 8.16 3.90 0.00 2.36 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 2.31 2.38 0.00 26 I 8.10 3.54 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.83 0.78 0.00 0.00 27 N 7.96 4.18 0.00 2.84 3.02 0.00 0.00 7.09 8.93 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 28 E 8.21 3.86 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 29 A 8.12 3.96 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 30 V 8.14 3.66 2.17 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 1.11 0.00 0.00 0.82 0.00 0.00 31 K 7.94 4.30 0.00 1.80 1.86 0.00 1.72 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.48 7.81 32 L 7.94 4.16 0.00 2.08 1.80 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.59 4.00 2.45 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 0.96 0.00 0.00 1.19 0.00 0.00 34 E 8.51 4.26 0.00 2.18 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 2.37 2.59 0.00 *36 G 7.83 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 0.00 0.00 0.00 37 V 7.85 3.91 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 0.69 0.00 0.00 0.98 0.00 0.00 38 A 7.31 4.44 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 39 T 7.83 4.70 4.15 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 0.00 0.00 0.00 1.18 0.00 0.00 40 P 0.00 2.97 0.00 1.69 0.83 0.00 3.39 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 41 Q 7.70 3.94 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 42 D 7.98 4.46 0.00 2.75 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 43 I 7.64 3.79 2.34 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.91 1.18 0.00 0.00 44 D 8.59 4.58 0.00 2.94 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 45 T 8.37 3.86 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 1.26 0.00 0.00 46 A 8.08 3.79 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 3.64 2.17 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.23 0.96 0.00 0.00 48 K 8.52 4.00 0.00 1.87 1.85 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.51 7.81 49 L 8.74 4.07 0.00 1.86 1.70 0.94 0.35 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 50 G 8.33 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.55 4.25 0.00 1.88 1.71 0.92 0.84 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 52 N 7.72 4.43 0.00 2.69 2.75 0.00 0.00 6.91 7.50 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 53 R 7.21 4.72 0.00 1.87 1.84 0.00 3.22 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 54 P 0.00 4.13 0.00 0.78 1.72 0.00 3.34 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 55 F 7.02 5.82 0.00 3.07 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 56 G 9.25 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 0.00 0.00 0.00 57 P 0.00 4.19 0.00 1.84 1.89 0.00 3.85 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 2.20 2.24 0.00 58 F 9.16 4.26 0.00 3.48 3.13 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 59 E 8.16 3.97 0.00 2.32 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 0.00 2.47 2.71 0.00 60 L 8.46 3.91 0.00 1.99 1.97 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.27 4.13 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 62 K 8.71 3.81 0.00 1.71 2.01 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.50 7.81 63 Q 8.61 3.87 0.00 1.81 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 1.78 2.09 0.00 64 F 8.36 4.43 0.00 3.08 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 65 G 8.66 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 66 A 9.11 3.95 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 67 E 8.27 3.83 0.00 2.15 2.24 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 2.37 2.34 0.00 68 Q 7.90 3.84 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 69 I 7.30 2.68 1.60 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 0.52 -0.26 0.56 0.00 0.00 70 A 7.76 3.83 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 71 K 7.74 3.59 0.00 1.88 1.90 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 72 R 7.72 3.84 0.00 1.88 1.80 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 73 L 8.22 4.05 0.00 1.92 1.79 0.98 0.85 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 74 E 9.14 3.90 0.00 2.16 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 2.45 2.50 0.00 75 E 8.20 3.83 0.00 2.16 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 2.31 2.69 0.00 76 L 7.91 3.91 0.00 1.97 1.74 1.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.22 4.09 1.45 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 0.00 0.00 78 K 7.72 3.83 0.00 1.85 1.81 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.46 7.81 79 Q 7.58 3.75 0.00 1.64 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.21 0.00 80 F 7.89 4.69 0.00 2.48 2.78 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 81 G 8.49 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 0.00 0.00 0.00 82 K 8.02 4.68 0.00 2.29 1.84 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.70 1.58 7.81 83 K 8.60 3.97 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.44 7.81 84 I 7.61 3.58 1.61 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.80 -0.02 0.00 0.00 85 F 7.64 4.51 0.00 3.08 3.09 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 86 E 7.87 4.19 0.00 2.16 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 2.40 2.38 0.00 87 P 0.00 4.27 0.00 2.02 1.96 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 88 A 8.67 4.05 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 89 K 8.74 3.93 0.00 1.78 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.48 7.81 90 T 8.48 3.90 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 1.26 0.00 0.00 91 L 8.00 4.10 0.00 1.82 1.58 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.22 3.86 0.00 1.73 1.86 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.45 1.47 7.81 93 E 7.69 4.54 0.00 2.13 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 2.19 2.26 0.00 94 G 9.92 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.06 4.43 0.00 1.87 2.02 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.63 7.81 96 L 8.25 3.94 0.00 1.76 1.71 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.11 4.06 0.00 2.06 1.99 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 2.42 2.38 0.00 98 E 7.64 4.06 0.00 2.23 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 2.35 2.36 0.00 99 L 7.85 4.11 0.00 1.97 1.89 1.02 0.65 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 0.00 100 L 8.00 3.86 0.00 1.83 1.69 0.81 0.89 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 0.00 101 K 7.70 3.80 0.00 2.05 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 102 A 7.94 4.05 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 0.00 103 G 7.78 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.08 4.13 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.54 7.81 105 A 9.62 4.12 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 0.00 106 E 8.01 4.17 0.00 1.93 1.77 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 2.23 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.