NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3839 8.2649 123.5922 51.7996 19.9505 176.1273 3 I 3.9420 8.2789 121.1231 59.8193 38.1596 174.0288 4 D 4.5686 8.4888 125.4329 53.3736 42.8756 176.7669 5 V 2.5964 8.3905 126.9258 64.8812 30.8299 178.2706 6 L 4.4921 7.9341 119.2108 56.3829 41.5388 178.3354 7 D 4.4749 7.7669 117.6301 55.4368 40.9145 177.0258 8 V 3.9801 7.2111 117.8276 63.7486 32.7530 175.8318 9 I 4.3427 7.8793 121.1041 58.3650 40.4370 175.3224 10 S 4.3445 8.2654 120.5406 57.8368 65.0715 174.7981 11 L 4.1256 8.5181 124.3967 58.5804 41.8271 179.2874 12 S 4.0914 8.0322 112.6102 61.3256 62.3692 176.0418 13 L 3.8936 7.6080 121.8319 57.6024 41.1723 179.3357 14 F 3.8163 7.6668 117.4432 60.5125 38.7099 177.7818 15 K 4.0477 8.3369 118.0997 59.7770 31.8580 179.4387 16 Q 4.0424 8.0447 118.1593 58.6532 28.3521 178.1835 17 Q 4.0321 7.9974 120.3434 58.8802 29.1481 177.8693 18 I 4.2262 7.4010 110.3949 59.4811 38.5456 175.0934 19 E 3.7181 7.8135 118.5304 57.7483 27.4684 174.9052 20 F 4.6844 8.4236 120.2562 56.6619 40.7019 174.8878 21 E 4.0382 7.8742 127.2084 59.2731 29.5796 177.6163 22 E 4.1315 7.0726 115.6395 56.6868 30.0188 176.3349 23 D 5.0139 8.5759 117.7589 54.4319 41.6765 176.4267 24 D 4.9106 8.2725 117.2208 53.2881 39.7544 176.6075 25 R 4.7338 7.8325 117.4987 56.0531 31.6061 177.1451 26 D 4.3601 8.4507 121.0100 57.5014 40.7086 178.0926 27 E 3.8538 8.0567 119.2039 59.0706 29.7876 178.4454 28 L 3.5836 7.6780 119.7612 58.1604 42.2030 178.6308 29 I 3.8463 7.7707 119.8967 64.8674 36.9584 178.4462 30 T 3.7147 8.2150 116.8157 66.5073 68.1916 176.3721 31 L 3.9048 7.6449 122.1309 58.3073 42.0265 178.6367 32 Y 4.3643 7.8156 116.4386 61.1000 37.8164 178.3858 33 A 3.7170 8.2839 121.7671 55.2949 18.3468 179.7768 34 Q 4.0583 8.4137 116.5871 58.8933 28.6982 178.8642 35 A 4.0791 8.4377 121.8098 55.1162 18.4763 179.4114 36 A 4.1082 8.5181 119.7550 55.4638 18.2775 179.6908 37 F 4.3362 8.3757 117.8419 61.4433 39.5883 176.5257 38 D 4.4177 8.2255 116.5052 57.5331 41.3142 176.9893 39 Y 4.3569 8.2657 120.0329 61.1711 38.6719 179.6670 40 C 4.3804 8.2681 114.6572 60.3861 27.6708 175.9354 *42 R 4.1708 7.9758 121.9322 56.0971 31.8002 177.8352 43 W 3.7555 8.2146 126.6909 60.6091 30.9555 176.9865 44 C 4.3448 8.7454 116.2503 61.3133 28.0725 173.5322 45 D 4.2407 7.1647 117.0086 55.5499 39.6832 174.7641 46 E 4.0481 6.9146 119.6399 53.5471 29.1324 173.7268 47 P 4.3775 0.0000 0.0000 63.1880 31.8278 177.6528 48 A 3.9729 7.8156 121.5184 54.1783 18.3844 177.7510 49 W 4.6805 7.6389 115.8664 56.7197 28.3175 175.7966 50 K 4.4827 9.0498 123.3925 56.7470 33.2755 177.4484 51 V 4.5630 8.3767 110.8483 58.7950 35.4067 176.2020 52 A 3.9432 8.8904 124.8350 55.6328 18.1425 180.2330 53 A 4.0515 7.9107 116.3710 55.0625 18.6040 178.5281 54 D 4.4003 8.1681 115.5537 56.7691 41.0704 176.9884 55 I 2.8310 7.3061 120.9071 59.8669 37.5184 174.9563 56 P 4.2119 0.0000 0.0000 61.9482 33.2339 177.2405 57 A 3.9165 8.4362 121.8718 55.3972 18.3148 180.1830 58 A 3.9749 7.9145 118.8069 55.2290 18.5358 179.8722 59 V 3.6038 7.6594 116.3825 66.0567 31.6516 178.1868 60 K 4.0927 8.0585 118.3713 59.2551 31.8844 179.4996 61 G 3.5723 8.0047 105.7460 47.8633 0.0000 175.5902 62 A 4.0661 8.0372 123.7328 54.7096 18.2627 179.9409 63 V 3.7423 7.8734 116.8158 66.2017 31.6604 178.1896 64 L 4.2539 8.0555 118.7728 57.9907 41.4654 179.5972 65 L 4.0645 7.9977 118.6882 57.7530 41.3373 179.8139 66 V 3.5554 7.7698 117.1584 65.8184 31.5974 177.3246 67 F 4.2638 8.5613 119.4205 61.5970 39.5594 176.7560 68 A 3.8175 8.3739 120.1449 54.7234 18.0739 179.5635 69 D 4.0621 7.8321 114.2416 54.9400 40.9706 177.7928 *71 F 3.8372 7.9903 121.1362 57.2060 40.9741 175.6807 72 E 3.9831 7.8847 118.4810 57.7420 29.6477 175.7952 73 H 4.7149 8.0196 116.0546 54.1599 29.0036 173.8078 74 R 4.2062 8.2760 122.8424 56.4112 30.4894 176.9707 75 T 4.6126 7.3793 107.9810 59.1858 71.3096 175.0021 76 A 4.0946 8.5721 126.0461 54.5207 18.7661 177.7440 77 Q 4.6322 7.3508 110.3362 54.1738 32.5680 174.4715 78 S 4.7392 8.0944 113.6900 56.5879 66.2830 173.9607 79 E 4.1023 8.6935 119.8850 58.0979 29.6608 177.5447 80 V 4.2645 7.3923 111.8882 58.9489 33.2637 175.4713 81 Q 3.8299 8.5388 125.7987 56.2024 29.4384 175.2480 82 L 4.4751 7.9048 124.2841 53.1566 43.6061 175.3019 83 Y 4.6637 8.0448 119.5772 55.6351 40.2304 175.3862 84 E 3.8913 8.7667 125.2861 56.1784 30.2607 175.7032 85 N 4.5540 8.7563 124.9403 52.5498 38.8661 175.1552 86 A 4.0120 8.6653 128.8108 54.8423 18.1349 178.4999 87 A 3.9097 8.1849 118.8601 55.3536 18.4177 179.3046 88 A 4.0436 7.4795 118.1212 55.4871 18.6013 179.1880 89 E 3.6593 7.9200 115.7213 58.5803 30.8888 178.7546 90 R 4.2355 7.8723 119.4410 56.2604 26.3985 176.4392 *93 F 5.1433 7.8675 124.3910 58.1271 41.5144 176.8094 94 I 3.9680 7.7239 110.6093 62.9996 37.4695 176.1027 95 H 5.0586 8.1218 116.9524 55.3016 29.5527 173.8364 96 R 4.1859 7.7538 116.5189 56.1771 29.8838 176.2115 97 N 4.3403 8.6620 118.8367 53.6853 38.8542 174.3028 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 A 8.26 4.38 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 3 I 8.28 3.94 2.29 0.00 0.00 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 1.42 0.85 1.02 0.00 0.00 4 D 8.49 4.57 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 5 V 8.39 2.60 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 0.91 0.00 0.00 0.91 0.00 0.00 6 L 7.93 4.49 0.00 1.70 1.76 0.90 1.01 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 7 D 7.77 4.47 0.00 2.76 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 8 V 7.21 3.98 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 0.76 0.00 0.00 0.70 0.00 0.00 9 I 7.88 4.34 1.30 0.00 0.00 0.66 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 0.60 -0.19 0.00 0.00 10 S 8.27 4.34 0.00 4.01 3.92 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 11 L 8.52 4.13 0.00 1.80 1.74 0.89 0.79 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 12 S 8.03 4.09 0.00 3.92 3.82 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 13 L 7.61 3.89 0.00 1.52 1.40 0.76 0.99 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 14 F 7.67 3.82 0.00 2.95 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 0.00 0.00 0.00 15 K 8.34 4.05 0.00 2.04 2.18 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.69 7.81 16 Q 8.04 4.04 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 17 Q 8.00 4.03 0.00 2.06 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 18 I 7.40 4.23 1.53 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.82 0.81 0.00 0.00 19 E 7.81 3.72 0.00 2.17 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 2.28 2.25 0.00 20 F 8.42 4.68 0.00 2.69 2.87 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 21 E 7.87 4.04 0.00 1.86 1.88 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 2.23 2.35 0.00 22 E 7.07 4.13 0.00 1.68 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 2.19 2.21 0.00 23 D 8.58 5.01 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.91 0.00 2.83 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 25 R 7.83 4.73 0.00 1.91 1.88 0.00 3.33 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 26 D 8.45 4.36 0.00 2.78 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 27 E 8.06 3.85 0.00 2.01 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 2.32 2.33 0.00 28 L 7.68 3.58 0.00 1.63 1.60 0.56 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.77 3.85 1.96 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 1.55 0.39 1.01 0.00 0.00 30 T 8.21 3.71 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 31 L 7.64 3.90 0.00 1.76 1.62 0.85 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 32 Y 7.82 4.36 0.00 3.33 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 33 A 8.28 3.72 0.30 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 0.00 0.00 0.00 34 Q 8.41 4.06 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 35 A 8.44 4.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.52 4.11 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.34 0.00 3.18 3.37 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 38 D 8.23 4.42 0.00 2.91 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 39 Y 8.27 4.36 0.00 3.25 3.25 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 40 C 8.27 4.38 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 4.17 0.00 2.05 1.96 0.00 3.34 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 43 W 8.21 3.76 0.00 2.79 3.10 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 0.00 0.00 0.00 0.00 44 C 8.75 4.34 0.00 3.27 3.02 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 0.00 0.00 0.00 45 D 7.16 4.24 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 6.91 4.05 0.00 1.18 1.12 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 1.47 1.47 0.00 47 P 0.00 4.38 0.00 2.00 2.02 0.00 3.54 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 1.92 1.96 0.00 48 A 7.82 3.97 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 49 W 7.64 4.68 0.00 3.47 3.06 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 50 K 9.05 4.48 0.00 1.80 1.90 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.42 7.81 51 V 8.38 4.56 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 0.79 0.00 0.00 1.05 0.00 0.00 52 A 8.89 3.94 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 53 A 7.91 4.05 1.27 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 0.00 0.00 0.00 54 D 8.17 4.40 0.00 2.83 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 55 I 7.31 2.83 1.71 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 1.48 0.87 0.64 0.00 0.00 56 P 0.00 4.21 0.00 1.73 1.65 0.00 2.47 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 57 A 8.44 3.92 1.28 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 0.00 0.00 0.00 58 A 7.91 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 59 V 7.66 3.60 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 1.09 0.00 0.00 1.00 0.00 0.00 60 K 8.06 4.09 0.00 1.97 1.76 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 61 G 8.00 3.57 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 0.00 62 A 8.04 4.07 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 7.87 3.74 2.38 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 1.51 0.00 0.00 1.26 0.00 0.00 64 L 8.06 4.25 0.00 1.97 1.90 0.82 0.28 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 65 L 8.00 4.06 0.00 1.94 1.75 0.96 0.82 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 66 V 7.77 3.56 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 0.80 0.00 0.00 1.02 0.00 0.00 67 F 8.56 4.26 0.00 3.18 3.64 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 0.00 0.00 0.00 0.00 68 A 8.37 3.82 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 69 D 7.83 4.06 0.00 2.87 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 *71 F 7.99 3.84 0.00 2.40 2.87 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 72 E 7.88 3.98 0.00 1.61 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 2.53 2.38 0.00 73 H 8.02 4.71 0.00 3.05 3.14 0.00 5.66 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 74 R 8.28 4.21 0.00 1.71 1.90 0.00 3.22 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 75 T 7.38 4.61 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 1.18 0.00 0.00 76 A 8.57 4.09 1.28 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 0.00 0.00 0.00 77 Q 7.35 4.63 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 78 S 8.09 4.74 0.00 3.86 3.72 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 79 E 8.69 4.10 0.00 1.94 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 2.30 2.37 0.00 80 V 7.39 4.26 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 0.69 0.00 0.00 0.90 0.00 0.00 81 Q 8.54 3.83 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 1.77 1.51 0.00 82 L 7.90 4.48 0.00 1.48 1.40 0.71 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.04 4.66 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 84 E 8.77 3.89 0.00 1.95 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 2.31 2.31 0.00 85 N 8.76 4.55 0.00 2.79 2.72 0.00 0.00 7.09 7.66 0.00 0.00 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 A 8.67 4.01 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 87 A 8.18 3.91 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 88 A 7.48 4.04 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 89 E 7.92 3.66 0.00 1.88 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 2.00 2.41 0.00 90 R 7.87 4.24 0.00 1.96 1.90 0.00 3.29 0.00 0.00 3.07 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 *93 F 7.87 5.14 0.00 3.53 3.39 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 0.00 94 I 7.72 3.97 1.86 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 1.58 0.76 1.08 0.00 0.00 95 H 8.12 5.06 0.00 3.41 3.83 0.00 5.90 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.75 4.19 0.00 1.73 2.05 0.00 2.67 0.00 0.00 2.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.30 0.00 97 N 8.66 4.34 0.00 2.53 2.64 0.00 0.00 7.03 7.12 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 * Residues marked with a * may have inaccurate shift predictions.