NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4035 8.3349 115.2909 58.4396 63.3826 173.3916 6 D 4.5857 8.3992 123.8644 53.5585 41.7585 175.7143 7 K 4.1563 7.6844 119.0431 56.2201 33.4442 176.6696 8 L 3.8806 8.1627 122.4110 56.6983 42.5005 175.8000 9 Y 5.1153 7.3031 114.5116 56.3314 42.5530 174.3592 10 R 5.2250 8.6256 120.5257 54.9986 33.3662 174.5747 11 V 4.9896 8.4830 125.3248 60.1094 34.5738 174.3360 12 E 4.5044 8.3563 119.1886 55.9559 33.4109 174.2218 13 Y 4.8884 8.2279 118.1517 57.0278 38.8723 175.6136 14 A 3.6106 9.0701 126.5304 52.7466 18.7527 178.7514 15 K 4.0902 8.5919 122.1786 58.4470 32.5167 176.5354 16 S 4.6223 7.5515 111.6902 57.0070 66.0834 174.1170 17 G 4.3637 8.5171 106.7784 45.7904 0.0000 174.6203 18 R 4.1614 7.9004 119.7561 57.4169 30.9084 177.2059 19 A 4.1819 7.7637 119.9329 52.2730 19.5634 176.4900 20 S 4.8655 8.5057 117.7203 57.0343 64.6205 173.7729 21 C 4.4377 8.9885 126.3395 59.4407 32.0075 174.3674 22 K 4.0529 8.2710 125.1755 57.5366 32.0232 177.7859 23 K 4.3454 8.0517 119.8425 58.1070 32.8726 176.7989 24 C 4.4907 8.0348 111.6897 57.3912 30.7109 175.3759 25 S 4.2545 8.3945 114.2116 58.4933 63.0049 169.8363 26 E 4.4352 7.6412 121.0524 56.1162 30.4841 176.5605 27 S 4.8165 8.5889 116.3201 58.3761 64.9997 173.6296 28 I 4.3286 8.4605 123.0395 59.0079 38.5379 173.8642 29 P 4.4732 0.0000 0.0000 62.0084 31.8705 176.0893 30 K 4.1500 8.3592 122.5791 57.5104 32.3544 176.8354 31 D 4.7154 9.1283 123.9421 54.5970 40.1163 174.5868 32 S 4.5959 7.7222 114.4507 57.4522 64.6761 173.2608 33 L 4.6188 8.5416 123.5218 55.3347 43.2480 175.8951 34 R 5.0213 8.6126 122.2141 54.8859 33.5529 173.4963 *36 A 5.0164 8.3333 118.3824 52.6611 20.0777 176.8170 37 I 4.5413 7.9486 120.7109 60.0084 41.6031 173.6853 *39 V 3.9413 8.1719 118.8152 62.6171 32.8954 175.8395 40 Q 4.1257 8.5774 129.3270 56.3218 29.4166 175.4220 41 S 4.1810 8.2319 122.5531 56.4833 63.1013 172.4318 42 P 4.3837 0.0000 0.0000 62.3094 31.2491 174.6016 *44 F 4.5762 7.6045 112.2336 57.9835 39.2601 175.3439 45 D 4.6046 8.4650 121.0265 51.7327 39.4424 174.4240 46 G 4.3317 7.3780 109.8967 45.4255 0.0000 169.0824 47 K 5.0974 8.7668 118.8441 54.4206 34.7905 176.1711 48 V 4.3802 8.6363 123.7056 60.6600 33.2980 173.2317 49 P 4.3084 0.0000 0.0000 62.0536 32.5403 175.3908 50 H 4.6246 8.6287 122.4131 54.2235 29.8076 174.4141 51 W 5.1135 8.4102 123.8909 56.2832 30.6194 175.5835 52 Y 5.1703 8.8842 119.3940 55.5110 41.7396 175.6858 53 H 4.4656 8.7727 118.5470 55.7415 30.5841 176.2406 54 F 4.2611 8.4156 125.8540 61.9954 39.0021 177.8225 55 S 4.3546 8.3826 113.0179 61.8036 62.9486 176.0185 56 C 4.3013 8.2731 119.8667 62.2924 27.7017 175.3292 57 F 3.1167 7.8870 121.7964 60.8176 38.8211 176.7323 58 W 4.1921 7.3426 115.3560 57.9222 29.2272 177.3229 59 K 4.2288 7.7322 116.7402 57.3312 31.8087 177.6996 60 V 4.0354 7.5136 111.1146 60.9624 31.9725 176.3054 61 G 3.8608 8.0246 107.7977 45.4332 0.0000 173.4088 62 H 4.3517 7.1465 116.2467 55.0198 29.3234 174.7434 63 S 4.7818 8.3778 117.1463 56.4237 65.1370 173.0520 64 I 4.5830 8.4535 126.9476 59.7997 40.2568 175.3409 65 R 4.1233 8.9947 124.2044 58.3400 30.7103 176.6859 66 H 4.7243 9.6339 118.2624 52.1917 29.8101 172.1442 67 P 4.0678 0.0000 0.0000 65.5003 31.1005 177.3666 68 D 3.5939 7.2581 115.5413 56.1663 38.9316 178.2679 69 V 4.1136 7.4600 110.7437 62.0328 32.8976 177.2009 70 E 4.5637 8.3646 117.8715 56.0264 29.5851 175.6622 71 V 4.6270 7.4770 119.2249 60.4827 32.5816 174.2593 72 D 4.4556 8.8652 128.6907 55.8031 41.5690 177.1823 73 G 4.2087 9.0553 114.1665 46.1020 0.0000 174.8048 74 F 4.0608 8.2548 122.8128 61.3260 39.3791 177.1064 75 S 4.3103 8.2421 111.7813 59.8877 63.1723 174.1748 76 E 4.4080 7.9293 120.3936 56.4608 29.8518 176.2399 77 L 4.3022 7.2904 119.0692 54.0161 42.5223 177.7570 78 R 4.1346 8.5533 120.2795 56.1721 31.9642 177.8874 79 W 4.1090 8.9164 131.0940 60.8306 30.6426 177.8683 80 D 4.3836 8.3533 118.1862 57.9164 40.2575 178.7276 81 D 4.2698 7.9791 118.2282 56.9526 40.8637 178.6739 82 Q 3.4846 7.6880 118.9061 58.9420 28.5202 178.8543 83 Q 3.7791 7.5529 118.9505 58.2181 28.6395 178.5724 84 K 3.8232 7.8431 120.8910 59.4051 32.2635 178.7390 85 V 3.9601 7.8800 118.7765 66.3697 31.4340 177.9702 86 K 3.9893 8.1674 119.1162 59.2080 32.1467 178.7711 87 K 3.8713 8.3620 120.4379 59.8480 31.9381 179.0926 88 T 3.5818 8.1110 115.0453 66.0932 68.2489 176.4577 89 A 3.8009 7.5227 122.2029 55.1011 18.7120 179.3844 90 E 4.0294 8.1275 116.6180 58.8496 29.1690 179.1640 91 A 4.2733 7.2358 116.5950 52.2968 18.0766 177.5312 92 G 4.1134 7.9910 114.5635 46.9499 0.0000 174.2005 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 5 S 8.33 4.40 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.40 4.59 0.00 2.75 2.64 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 7 K 7.68 4.16 0.00 1.75 1.97 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.38 7.81 8 L 8.16 3.88 0.00 1.29 0.88 0.63 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.30 5.12 0.00 2.96 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 10 R 8.63 5.23 0.00 1.72 1.57 0.00 3.54 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 V 8.48 4.99 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 0.89 0.00 0.00 0.91 0.00 0.00 12 E 8.36 4.50 0.00 2.01 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 0.00 1.95 2.04 0.00 13 Y 8.23 4.89 0.00 2.93 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 14 A 9.07 3.61 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 15 K 8.59 4.09 0.00 1.68 1.85 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 16 S 7.55 4.62 0.00 3.89 3.89 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 0.00 0.00 0.00 0.00 17 G 8.52 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 0.00 0.00 0.00 0.00 18 R 7.90 4.16 0.00 1.80 1.99 0.00 3.17 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 19 A 7.76 4.18 1.15 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 0.00 0.00 0.00 20 S 8.51 4.87 0.00 3.78 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 21 C 8.99 4.44 0.00 2.89 2.97 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 22 K 8.27 4.05 0.00 0.87 1.38 0.00 1.51 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.24 7.81 23 K 8.05 4.35 0.00 1.93 2.08 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 24 C 8.03 4.49 0.00 3.18 3.22 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 0.00 0.00 0.00 0.00 25 S 8.39 4.25 0.00 4.20 4.22 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 0.00 0.00 0.00 0.00 26 E 7.64 4.44 0.00 2.00 1.97 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 2.37 2.43 0.00 27 S 8.59 4.82 0.00 4.03 3.87 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 28 I 8.46 4.33 1.75 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 0.87 1.17 0.84 0.00 0.00 29 P 0.00 4.47 0.00 2.20 1.99 0.00 3.69 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 30 K 8.36 4.15 0.00 1.69 1.71 0.00 1.66 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.58 7.81 31 D 9.13 4.72 0.00 2.82 2.79 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 0.00 0.00 0.00 32 S 7.72 4.60 0.00 4.00 4.04 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 33 L 8.54 4.62 0.00 1.84 1.62 0.65 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.61 5.02 0.00 2.10 1.96 0.00 2.21 0.00 0.00 2.62 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.25 0.00 *36 A 8.33 5.02 0.12 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 0.00 0.00 37 I 7.95 4.54 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.43 1.03 0.00 0.00 *39 V 8.17 3.94 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 0.81 0.00 0.00 0.88 0.00 0.00 40 Q 8.58 4.13 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 41 S 8.23 4.18 0.00 3.16 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 4.38 0.00 2.15 2.02 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 *44 F 7.60 4.58 0.00 3.17 3.17 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 45 D 8.47 4.60 0.00 2.68 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 46 G 7.38 4.33 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 0.00 47 K 8.77 5.10 0.00 1.60 1.63 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.36 7.81 48 V 8.64 4.38 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 0.70 0.00 0.00 0.99 0.00 0.00 49 P 0.00 4.31 0.00 0.96 0.85 0.00 3.67 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 2.08 1.98 0.00 50 H 8.63 4.62 0.00 3.09 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.41 5.11 0.00 3.28 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 52 Y 8.88 5.17 0.00 3.04 2.96 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 0.00 0.00 0.00 53 H 8.77 4.47 0.00 3.40 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.42 4.26 0.00 3.29 3.31 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 55 S 8.38 4.35 0.00 4.21 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 0.00 56 C 8.27 4.30 0.00 3.40 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 57 F 7.89 3.12 0.00 2.70 2.52 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 58 W 7.34 4.19 0.00 3.25 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 0.00 59 K 7.73 4.23 0.00 1.87 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.68 7.81 60 V 7.51 4.04 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 0.81 0.00 0.00 0.36 0.00 0.00 61 G 8.02 3.86 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 0.00 0.00 0.00 62 H 7.15 4.35 0.00 1.92 2.36 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.38 4.78 0.00 3.77 3.70 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 64 I 8.45 4.58 2.05 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.45 0.90 0.00 0.00 65 R 8.99 4.12 0.00 1.86 1.72 0.00 3.21 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 66 H 9.63 4.72 0.00 2.93 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.07 0.00 1.53 1.98 0.00 3.50 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 68 D 7.26 3.59 0.00 2.72 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 69 V 7.46 4.11 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 0.77 0.00 0.00 0.93 0.00 0.00 70 E 8.36 4.56 0.00 2.07 2.20 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 2.36 2.56 0.00 71 V 7.48 4.63 2.25 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 1.01 0.00 0.00 0.92 0.00 0.00 72 D 8.87 4.46 0.00 2.81 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 73 G 9.06 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.25 4.06 0.00 3.11 3.11 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 75 S 8.24 4.31 0.00 4.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.93 4.41 0.00 2.08 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 2.34 0.00 77 L 7.29 4.30 0.00 1.47 1.46 0.69 0.26 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 78 R 8.55 4.13 0.00 1.97 1.93 0.00 3.00 0.00 0.00 2.97 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 79 W 8.92 4.11 0.00 3.37 3.29 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 80 D 8.35 4.38 0.00 2.76 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 81 D 7.98 4.27 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.69 3.48 0.00 1.75 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 83 Q 7.55 3.78 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.40 0.00 84 K 7.84 3.82 0.00 1.69 1.67 0.00 0.61 0.00 0.00 1.38 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.41 7.81 85 V 7.88 3.96 2.52 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 1.30 0.00 0.00 1.12 0.00 0.00 86 K 8.17 3.99 0.00 2.00 1.79 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.42 7.81 87 K 8.36 3.87 0.00 1.92 1.90 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.45 7.81 88 T 8.11 3.58 3.67 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 -0.31 0.00 0.00 89 A 7.52 3.80 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 90 E 8.13 4.03 0.00 1.97 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 2.28 2.37 0.00 91 A 7.24 4.27 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 92 G 7.99 4.11 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 0.00 * Residues marked with a * may have inaccurate shift predictions.