NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1802 8.3101 121.7873 55.7514 32.8616 175.3983 20 A 3.9853 8.4993 129.7019 50.0013 18.9843 174.9684 21 P 4.3210 0.0000 0.0000 65.0219 32.8850 174.5147 22 E 4.0357 8.0030 120.3856 54.7939 29.8514 174.4913 23 P 4.5070 0.0000 0.0000 62.3274 32.3238 176.8182 24 L 4.1883 9.3566 121.3096 54.2847 43.4921 178.1468 25 L 3.9372 8.6157 123.8721 58.7290 41.9333 179.8940 26 R 4.0682 7.9441 115.0675 59.0101 29.3895 178.6563 27 E 3.8939 7.9986 118.7868 59.3507 29.5719 178.9167 28 A 4.0100 8.1061 120.7894 55.0943 18.3526 179.6672 29 L 4.0202 8.6624 118.0355 57.9086 41.7081 179.9920 30 G 3.5737 8.2723 105.4729 47.6686 0.0000 175.6795 31 A 4.0082 8.0834 122.9252 54.7847 18.3847 179.5224 32 A 4.0883 8.2726 119.5205 55.4734 18.4391 179.7953 33 L 3.9604 8.2801 117.8118 58.0207 41.5991 179.8266 34 R 4.1634 8.0515 119.9570 58.9981 30.0219 178.7840 35 S 4.1421 8.2432 115.0310 61.6574 62.9495 176.6807 36 F 3.9447 8.7274 120.6432 60.3477 38.6844 177.8238 37 R 3.9239 8.4595 118.3036 59.4109 29.9830 178.2997 38 A 3.9937 8.3439 121.0274 55.3414 18.1387 179.0345 39 D 4.2537 7.9923 115.3453 57.3104 41.3645 178.0992 40 K 4.2689 7.9423 116.5079 56.3146 32.2960 177.4973 41 G 3.8656 7.6590 107.0120 46.3027 0.0000 173.5839 42 V 4.1870 7.5357 118.9304 61.6743 32.7038 176.4716 43 T 4.4395 8.6894 117.6060 60.6767 71.4820 176.1145 44 L 4.0514 8.2618 120.7495 57.9311 41.5979 180.0183 45 R 3.9516 7.9192 117.7160 59.0815 30.0765 178.7367 46 E 3.9598 8.1394 118.3364 59.3949 29.5399 179.1449 47 L 3.9644 8.0750 120.0975 57.9408 42.0766 178.7945 48 A 4.0780 8.2837 122.3832 54.5606 18.1538 178.9015 49 E 3.8377 8.0156 116.1417 59.7630 29.7503 178.8607 50 A 4.1659 7.9723 119.1814 54.1058 18.5115 178.6234 51 S 4.5738 7.9587 112.3245 57.6549 64.2833 174.6953 52 R 3.8860 8.2301 120.0818 57.4854 27.3769 181.3979 53 V 4.5748 7.2189 116.8600 59.1433 35.0936 175.2256 54 S 4.4671 8.3811 116.4836 57.8346 64.8750 173.6488 55 P 4.4224 0.0000 0.0000 65.9073 31.0359 178.9582 56 G 3.6507 8.1251 105.1387 47.9823 0.0000 174.8743 57 Y 3.9981 8.0614 122.3154 60.2280 38.7189 177.9341 58 L 4.0534 8.1721 120.0761 57.6779 41.7163 179.4034 59 S 4.0378 8.2573 113.1342 61.5436 62.3625 176.0017 60 E 3.8717 7.9421 121.1526 59.1776 29.1309 178.9863 61 L 3.7128 7.8214 120.6285 58.3861 42.1213 179.0158 62 E 4.0866 8.3623 118.5299 59.2375 29.1482 178.6499 63 R 4.4755 7.7651 115.2707 55.9364 30.1953 177.1739 64 G 3.8550 7.8228 106.8690 46.0885 0.0000 174.5421 65 R 4.5035 7.9752 115.7728 55.3430 30.5620 176.2731 66 K 4.5691 7.4699 116.8335 54.4559 35.7679 175.6054 67 E 4.3069 8.8034 123.1756 55.6524 30.3800 176.2725 68 V 4.7353 8.3154 122.3149 58.8505 33.8143 176.4985 69 S 4.3479 8.3588 117.5658 58.3085 65.0884 175.3687 70 S 4.1071 8.6934 119.3456 62.0956 62.6170 177.0912 71 E 3.9499 8.0395 120.6181 59.2796 29.2421 178.9905 72 L 3.9157 7.7542 119.9892 57.8608 42.1270 178.4261 73 L 3.8721 8.0829 120.2264 58.2387 41.8479 178.9196 74 A 3.7706 8.0161 120.6344 55.1884 18.2730 179.8416 75 S 4.0229 7.9312 112.6577 61.3197 63.2037 176.8987 76 V 3.5354 7.9954 122.0607 66.0013 31.3421 177.7907 77 C 4.0281 8.0595 116.4637 63.2898 27.9275 175.9736 78 H 4.3196 8.3559 117.6774 58.7210 28.0071 177.7361 79 A 4.0371 8.1612 122.1788 54.6488 18.2696 178.6794 80 L 4.4323 7.6254 114.7086 54.4050 42.0108 177.2336 81 G 3.8735 8.2818 106.9896 46.1589 0.0000 173.4203 82 A 4.8369 7.9201 120.7836 49.0132 22.2872 177.8878 83 S 4.4180 8.3523 115.6266 58.0132 65.3848 175.7566 84 V 3.4802 8.3934 122.4502 66.1540 31.2460 178.2904 85 A 3.9761 7.9054 120.0619 55.2112 18.2931 179.1330 86 D 4.3603 8.3994 117.7435 57.6151 40.8328 179.2587 87 V 3.2920 7.4045 118.1841 65.7224 31.3004 178.1320 88 L 3.9966 8.0909 119.0302 57.5310 41.4460 179.3897 89 I 3.7057 7.9438 119.9564 64.3587 37.0063 178.0448 90 E 3.9926 8.3375 119.9285 59.2338 29.4639 178.6529 91 A 3.9900 8.4040 120.8785 55.1048 18.3885 179.5155 92 A 4.0303 8.4183 119.6605 55.1870 18.4998 180.1007 93 G 3.5417 8.2246 104.2978 47.9919 0.0000 175.7582 94 S 4.1275 8.2763 116.0292 61.2954 62.3040 176.1297 95 M 4.0196 8.2504 121.0955 58.4831 31.7739 178.6334 96 A 3.9731 8.1732 120.9143 54.9599 18.4598 179.4976 97 L 3.8839 8.0421 118.8635 58.3949 42.1725 179.0521 98 Q 3.9197 8.3291 119.4425 58.9453 28.9049 177.6927 99 A 4.2098 8.5439 123.2679 54.5846 18.4156 179.5484 100 A 3.9245 8.0734 119.0568 55.4473 18.4776 179.9401 101 Q 3.9677 8.2952 116.7596 59.0415 28.7127 178.6235 102 E 3.9818 8.6472 120.8627 59.2262 29.6730 178.5189 103 D 4.3424 8.3881 119.3199 57.0548 40.7832 178.5057 104 L 3.8627 8.1161 120.5749 58.0845 42.1893 178.4612 105 A 4.0084 8.0039 120.7731 55.6937 18.1365 179.6963 106 R 3.9611 8.1592 116.1754 59.6282 30.1376 179.5518 107 V 3.7288 7.9034 117.9013 65.8038 31.2967 178.1843 108 L 4.1865 8.0093 118.1878 57.8921 41.5678 178.7962 109 E 4.1284 8.5082 117.8933 59.2341 29.4297 179.1087 110 W 4.5350 7.8216 127.9311 58.8884 31.0389 176.6652 111 S 4.2657 8.2378 115.0191 58.7639 65.2755 174.1916 *112 H 4.3316 9.0989 120.8411 54.7009 27.7448 171.3091 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 19 K 8.31 4.18 0.00 1.73 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 20 A 8.50 3.99 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 21 P 0.00 4.32 0.00 2.30 2.31 0.00 3.42 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 2.11 2.07 0.00 22 E 8.00 4.04 0.00 1.95 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 2.29 2.33 0.00 23 P 0.00 4.51 0.00 2.08 1.97 0.00 3.73 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 2.03 2.11 0.00 24 L 9.36 4.19 0.00 1.71 1.58 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.62 3.94 0.00 1.74 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.94 4.07 0.00 2.17 2.16 0.00 3.20 0.00 0.00 3.50 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 27 E 8.00 3.89 0.00 2.21 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 2.39 2.36 0.00 28 A 8.11 4.01 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 29 L 8.66 4.02 0.00 1.78 1.72 0.91 0.87 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 30 G 8.27 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 31 A 8.08 4.01 1.39 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 0.00 0.00 32 A 8.27 4.09 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 33 L 8.28 3.96 0.00 1.82 1.75 0.94 0.76 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 34 R 8.05 4.16 0.00 2.01 2.11 0.00 3.15 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 35 S 8.24 4.14 0.00 4.15 3.85 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 36 F 8.73 3.94 0.00 3.25 3.15 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 37 R 8.46 3.92 0.00 1.99 2.11 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 38 A 8.34 3.99 1.33 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 39 D 7.99 4.25 0.00 2.64 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.27 0.00 1.98 1.87 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.54 7.81 41 G 7.66 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 0.00 0.00 0.00 42 V 7.54 4.19 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 0.85 0.00 0.00 0.95 0.00 0.00 43 T 8.69 4.44 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 1.22 0.00 0.00 44 L 8.26 4.05 0.00 1.72 1.78 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.92 3.95 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 46 E 8.14 3.96 0.00 2.20 2.01 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 2.34 2.33 0.00 47 L 8.07 3.96 0.00 1.79 1.83 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.28 4.08 1.47 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 0.00 0.00 49 E 8.02 3.84 0.00 2.23 2.15 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 2.34 2.40 0.00 50 A 7.97 4.17 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 51 S 7.96 4.57 0.00 4.03 3.96 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 52 R 8.23 3.89 0.00 2.00 1.89 0.00 3.21 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 53 V 7.22 4.57 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 0.85 0.00 0.00 0.79 0.00 0.00 54 S 8.38 4.47 0.00 4.11 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 55 P 0.00 4.42 0.00 2.30 2.37 0.00 3.73 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 2.09 2.05 0.00 56 G 8.13 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.06 4.00 0.00 3.15 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 58 L 8.17 4.05 0.00 1.97 1.74 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.26 4.04 0.00 3.95 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 60 E 7.94 3.87 0.00 1.94 1.83 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 2.41 2.41 0.00 61 L 7.82 3.71 0.00 1.35 1.70 0.87 0.94 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 62 E 8.36 4.09 0.00 2.17 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 2.33 2.53 0.00 63 R 7.77 4.48 0.00 1.76 1.93 0.00 3.18 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 64 G 7.82 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 65 R 7.98 4.50 0.00 1.82 1.90 0.00 3.08 0.00 0.00 3.46 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 66 K 7.47 4.57 0.00 1.33 1.43 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.09 0.70 7.81 67 E 8.80 4.31 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 2.30 2.24 0.00 68 V 8.32 4.74 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 0.98 0.00 0.00 1.06 0.00 0.00 69 S 8.36 4.35 0.00 4.06 4.03 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 70 S 8.69 4.11 0.00 3.87 3.96 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 71 E 8.04 3.95 0.00 2.03 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 2.38 2.41 0.00 72 L 7.75 3.92 0.00 1.70 1.78 0.85 0.58 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 73 L 8.08 3.87 0.00 1.86 1.81 0.87 0.80 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 74 A 8.02 3.77 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 75 S 7.93 4.02 0.00 4.08 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 76 V 8.00 3.54 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 1.02 0.00 0.00 0.98 0.00 0.00 77 C 8.06 4.03 0.00 2.96 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 78 H 8.36 4.32 0.00 3.16 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.16 4.04 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 80 L 7.63 4.43 0.00 1.85 1.82 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.28 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 0.00 0.00 0.00 82 A 7.92 4.84 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 83 S 8.35 4.42 0.00 4.07 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 84 V 8.39 3.48 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 0.99 0.00 0.00 0.84 0.00 0.00 85 A 7.91 3.98 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 86 D 8.40 4.36 0.00 2.84 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 87 V 7.40 3.29 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 0.92 0.00 0.00 -0.08 0.00 0.00 88 L 8.09 4.00 0.00 1.99 1.69 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.94 3.71 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.95 0.00 0.00 90 E 8.34 3.99 0.00 2.37 2.36 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 2.60 2.50 0.00 91 A 8.40 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 4.03 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 93 G 8.22 3.54 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 0.00 0.00 0.00 94 S 8.28 4.13 0.00 3.95 4.10 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 95 M 8.25 4.02 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 96 A 8.17 3.97 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 97 L 8.04 3.88 0.00 1.84 1.82 0.92 0.61 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 98 Q 8.33 3.92 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 99 A 8.54 4.21 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 0.00 100 A 8.07 3.92 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 0.00 101 Q 8.30 3.97 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 102 E 8.65 3.98 0.00 2.08 2.15 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 2.30 2.39 0.00 103 D 8.39 4.34 0.00 2.92 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 0.00 104 L 8.12 3.86 0.00 1.84 1.85 0.94 0.76 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 0.00 105 A 8.00 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.96 0.00 2.00 2.01 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 107 V 7.90 3.73 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 1.10 0.00 0.00 0.95 0.00 0.00 108 L 8.01 4.19 0.00 1.83 1.74 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.51 4.13 0.00 2.19 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 0.00 2.39 2.37 0.00 110 W 7.82 4.54 0.00 3.42 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 0.00 111 S 8.24 4.27 0.00 3.96 3.75 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 *112 H 9.10 4.33 0.00 3.01 3.25 0.00 7.23 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.