NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4707 8.1576 122.0407 56.2221 36.0764 177.4542 4 V 4.7489 8.4186 115.6691 58.3588 34.1168 173.2650 5 C 4.1929 10.1046 125.9815 59.7700 32.8973 175.6456 6 E 4.1186 8.4794 126.8851 59.2661 29.6139 178.5303 7 I 3.9388 7.8704 118.5391 63.8019 36.1942 176.9357 8 S 4.4960 8.0391 112.2920 57.2970 63.5471 174.4273 9 G 4.3749 7.8922 108.4553 46.5037 0.0000 173.5022 10 K 4.4151 7.3904 117.7786 55.6349 33.1917 176.6894 11 R 5.5675 8.6363 120.1601 52.0934 33.0585 173.1004 12 P 4.7805 0.0000 0.0000 63.0083 32.2679 175.6964 13 I 4.4780 8.2413 115.4349 59.3669 41.0170 173.8953 14 V 4.8189 8.2053 121.3946 61.3970 32.9754 174.4551 15 A 4.9666 8.8026 129.3274 50.5081 22.7730 173.4631 16 N 5.2612 8.5210 111.7982 51.6743 42.2412 174.6117 17 S 4.2317 9.0629 120.0831 58.2499 63.4736 173.0587 18 I 4.5045 8.2509 128.9572 59.5412 38.9197 175.3036 19 Q 4.3373 9.1503 127.9752 55.6275 29.7773 175.8520 20 R 5.2566 8.5156 121.6161 54.4974 34.5542 174.1281 21 R 4.6173 9.0345 117.6489 54.4841 33.5536 175.0432 22 G 4.0885 9.0449 104.7308 45.1347 0.0000 172.6812 23 K 4.3046 8.1130 119.8369 54.2026 33.2346 175.6893 24 A 3.9229 8.4879 128.4452 51.9758 18.9566 177.9240 25 K 4.0180 8.7452 123.0506 59.4409 32.6644 178.5734 26 R 4.0694 8.0263 114.3151 59.3794 29.7946 177.7950 27 E 4.1902 8.3943 117.2883 58.2458 31.3406 177.5908 28 G 3.8746 8.5821 102.8004 45.1436 0.0000 175.4468 29 G 3.9736 9.1014 112.7115 46.3530 0.0000 172.8936 30 V 3.2407 9.5831 113.4478 64.3787 30.6326 172.6151 31 G 4.0856 7.2881 100.8657 43.1638 0.0000 172.0289 32 K 4.7030 8.1807 120.5991 54.2583 34.3412 175.0416 33 K 4.6043 9.1497 124.7180 54.6686 35.4823 175.5339 34 T 4.5527 8.6167 121.8191 63.8866 67.8677 174.3616 35 T 4.0561 8.9498 123.2600 64.1657 68.2233 174.8735 36 G 4.1525 7.4040 104.9989 45.6958 0.0000 172.5327 37 I 5.4370 8.4092 122.9617 59.4197 41.1761 174.9813 38 S 4.6675 8.7358 119.4269 56.6698 66.5361 173.8949 39 K 4.5554 8.6871 122.9641 57.2710 32.6290 176.0296 40 R 4.6106 8.4172 118.3125 55.5858 33.2588 173.6733 41 R 4.9706 8.2557 117.8587 54.4392 33.3511 175.6987 42 Q 4.3583 8.3548 120.1135 54.3952 31.5707 174.2156 43 Y 5.1396 8.2928 122.2195 55.6608 39.7213 173.9933 44 P 4.3885 0.0000 0.0000 62.5192 32.3879 176.4261 45 N 4.7698 8.7666 122.5940 53.8843 37.0143 171.0798 46 L 5.0067 7.9599 120.6430 53.8587 42.8075 176.6437 47 Q 4.7482 9.1985 123.5449 54.0841 32.3917 173.8311 48 K 4.9790 8.5452 118.5099 55.0219 34.7199 176.1561 49 V 4.3530 8.6572 125.2355 61.3227 33.6077 174.4351 50 R 5.1302 8.7307 127.8283 54.7019 31.2686 176.1018 51 V 4.0932 8.9085 123.9390 60.1570 34.5161 175.6525 52 R 4.0065 8.9792 121.2534 53.5164 29.5583 173.2218 53 V 3.2003 7.9957 123.5161 63.4139 33.8809 173.0393 54 A 3.5848 8.4020 127.8421 53.8217 17.1761 177.7844 55 G 3.8966 8.5999 100.5821 46.9429 0.0000 173.6151 56 Q 4.3714 7.2543 116.7528 54.8048 30.1325 174.4767 57 E 4.6937 8.2581 120.4828 55.8693 31.4819 175.5933 58 I 4.5763 8.6119 124.3681 60.0791 41.5480 174.5585 59 T 4.8911 8.2684 116.9355 60.5488 71.4254 174.9301 60 F 4.9178 8.8847 121.4293 55.9501 42.5002 173.5729 61 R 4.4290 9.4102 126.1294 56.4270 30.9200 175.4843 62 V 4.5986 9.4113 126.2992 60.7399 36.0555 174.0695 63 A 4.5536 8.6736 127.2927 51.8726 18.6052 178.4447 64 A 3.9481 9.3117 127.5836 55.4888 18.7594 179.1507 65 S 4.2683 8.1269 109.5128 61.9334 63.3959 175.9331 66 H 4.7448 7.9247 118.4515 55.0767 28.6235 177.1405 67 I 3.9496 7.7500 122.8040 63.8623 38.1273 176.9179 68 P 4.2830 0.0000 0.0000 66.2935 30.2428 177.7687 69 K 3.8939 8.2362 118.4133 58.4740 31.9236 178.2527 70 V 3.3890 8.5274 119.1809 66.3723 31.5314 177.4822 71 Y 3.8373 8.0054 116.0107 60.6922 37.7716 177.4963 72 E 3.9243 8.7614 120.9113 59.8112 29.6861 178.4471 73 L 3.9771 7.6064 118.0546 57.0018 41.3953 179.2049 74 V 3.5255 7.8228 119.1643 66.3624 31.7349 177.6467 75 E 4.1055 8.7376 119.0028 59.6603 29.6937 178.8972 76 R 4.1369 8.1245 116.3043 57.7640 30.0205 177.6835 77 A 4.3352 8.0590 119.7227 52.5623 18.4696 178.9152 78 K 4.2802 7.6683 119.2203 58.7469 33.4540 178.4096 79 G 3.8750 7.2572 108.3128 42.2830 0.0000 171.7886 80 L 4.2493 7.1221 120.3936 54.8281 44.9662 174.0487 81 K 4.2810 8.7892 125.7658 55.7152 31.3241 176.0530 82 L 4.8216 9.2922 123.4614 51.8386 44.7301 177.1300 83 E 4.9619 9.4103 116.6722 57.1094 31.8609 175.2511 84 G 3.4785 7.6025 108.5202 47.8218 0.0000 174.5560 85 L 4.2773 7.0146 128.8900 56.9493 39.3841 177.0063 86 S 5.7962 7.4053 119.6923 56.3799 62.5126 173.8882 87 P 4.1714 0.0000 0.0000 66.0630 31.4249 178.3351 88 K 3.8570 7.8315 119.6053 58.7228 32.4133 178.2061 89 E 3.9278 8.2532 118.3335 59.9545 29.2920 179.6243 90 I 3.7748 8.0106 119.7686 63.9619 36.8668 178.4503 91 K 3.8692 7.3562 118.7785 59.4855 32.1579 178.2327 92 K 3.9568 8.0373 118.6362 59.9719 32.3184 178.0051 93 E 4.1469 9.0016 118.8877 59.3299 29.1291 178.9942 94 L 4.4839 7.8599 117.4974 54.4301 42.0581 176.3180 95 L 3.5055 8.0536 120.8037 56.4782 41.2931 175.0462 *96 K 4.1330 8.1103 122.2195 54.3748 32.3453 178.0356 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 3 K 8.16 4.47 0.00 1.87 1.01 0.00 1.52 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 4 V 8.42 4.75 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 0.77 0.00 0.00 0.94 0.00 0.00 5 C 10.10 4.19 0.00 2.92 3.04 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 6 E 8.48 4.12 0.00 2.11 2.13 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 2.40 2.52 0.00 7 I 7.87 3.94 1.84 0.00 0.00 0.56 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 0.26 0.90 0.00 0.00 8 S 8.04 4.50 0.00 3.84 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 9 G 7.89 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 0.00 0.00 0.00 0.00 10 K 7.39 4.42 0.00 1.68 1.74 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.32 7.81 11 R 8.64 5.57 0.00 1.79 1.90 0.00 2.66 0.00 0.00 3.10 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 12 P 0.00 4.78 0.00 2.19 2.54 0.00 3.79 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 13 I 8.24 4.48 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.77 0.96 0.00 0.00 14 V 8.21 4.82 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 0.78 0.00 0.00 0.90 0.00 0.00 15 A 8.80 4.97 1.17 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 16 N 8.52 5.26 0.00 2.54 2.68 0.00 0.00 6.72 7.57 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 17 S 9.06 4.23 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 4.50 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 1.33 0.89 0.90 0.00 0.00 19 Q 9.15 4.34 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 20 R 8.52 5.26 0.00 1.62 1.76 0.00 3.14 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 21 R 9.03 4.62 0.00 1.84 2.00 0.00 2.73 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 22 G 9.04 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 23 K 8.11 4.30 0.00 1.71 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.41 7.81 24 A 8.49 3.92 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 25 K 8.75 4.02 0.00 1.72 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 26 R 8.03 4.07 0.00 1.96 2.04 0.00 3.09 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 27 E 8.39 4.19 0.00 1.98 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 2.30 0.00 28 G 8.58 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 29 G 9.10 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 30 V 9.58 3.24 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 7.29 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 32 K 8.18 4.70 0.00 1.70 1.67 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.63 7.81 33 K 9.15 4.60 0.00 1.66 1.65 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 34 T 8.62 4.55 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 1.26 0.00 0.00 35 T 8.95 4.06 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 1.21 0.00 0.00 36 G 7.40 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 0.00 0.00 0.00 0.00 37 I 8.41 5.44 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 1.39 0.70 0.90 0.00 0.00 38 S 8.74 4.67 0.00 3.87 3.90 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 0.00 0.00 0.00 39 K 8.69 4.56 0.00 1.63 1.78 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.49 7.81 40 R 8.42 4.61 0.00 1.78 1.94 0.00 2.68 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 41 R 8.26 4.97 0.00 0.93 1.43 0.00 3.20 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 42 Q 8.35 4.36 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 43 Y 8.29 5.14 0.00 2.91 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 44 P 0.00 4.39 0.00 2.20 2.09 0.00 3.96 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 2.04 2.15 0.00 45 N 8.77 4.77 0.00 2.86 2.80 0.00 0.00 6.83 6.66 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 46 L 7.96 5.01 0.00 1.77 1.66 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 9.20 4.75 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 48 K 8.55 4.98 0.00 1.62 1.72 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 49 V 8.66 4.35 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 1.06 0.00 0.00 1.04 0.00 0.00 50 R 8.73 5.13 0.00 1.75 1.97 0.00 3.21 0.00 0.00 3.44 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 51 V 8.91 4.09 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 0.91 0.00 0.00 0.70 0.00 0.00 52 R 8.98 4.01 0.00 1.82 1.86 0.00 3.36 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 53 V 8.00 3.20 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 0.93 0.00 0.00 0.94 0.00 0.00 54 A 8.40 3.58 1.24 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 0.00 0.00 0.00 55 G 8.60 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.25 4.37 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 57 E 8.26 4.69 0.00 1.95 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 2.21 2.31 0.00 58 I 8.61 4.58 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.26 0.52 0.00 0.00 59 T 8.27 4.89 4.18 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 1.18 0.00 0.00 60 F 8.88 4.92 0.00 3.10 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 61 R 9.41 4.43 0.00 1.91 1.87 0.00 3.05 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 62 V 9.41 4.60 2.13 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 0.77 0.00 0.00 0.93 0.00 0.00 63 A 8.67 4.55 1.23 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 0.00 0.00 0.00 64 A 9.31 3.95 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 65 S 8.13 4.27 0.00 4.07 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 66 H 7.92 4.74 0.00 3.13 3.31 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.75 3.95 1.91 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 1.52 1.18 1.04 0.00 0.00 68 P 0.00 4.28 0.00 2.26 2.33 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 69 K 8.24 3.89 0.00 1.83 1.82 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.52 7.81 70 V 8.53 3.39 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 0.68 0.00 0.00 71 Y 8.01 3.84 0.00 3.22 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 72 E 8.76 3.92 0.00 2.15 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 0.00 2.31 2.37 0.00 73 L 7.61 3.98 0.00 1.95 1.60 0.68 0.81 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 74 V 7.82 3.53 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 0.77 0.00 0.00 0.93 0.00 0.00 75 E 8.74 4.11 0.00 2.26 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 0.00 2.34 2.43 0.00 76 R 8.12 4.14 0.00 2.09 1.95 0.00 3.17 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 77 A 8.06 4.34 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.28 0.00 1.77 1.89 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.60 7.81 79 G 7.26 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 80 L 7.12 4.25 0.00 1.57 1.65 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.79 4.28 0.00 1.79 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.46 7.81 82 L 9.29 4.82 0.00 1.59 1.53 0.93 0.96 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 83 E 9.41 4.96 0.00 2.16 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 2.04 2.08 0.00 84 G 7.60 3.48 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 0.00 85 L 7.01 4.28 0.00 1.72 2.06 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.41 5.80 0.00 3.84 3.84 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 0.00 0.00 0.00 87 P 0.00 4.17 0.00 2.21 2.27 0.00 3.94 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 88 K 7.83 3.86 0.00 1.78 1.81 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.44 7.81 89 E 8.25 3.93 0.00 2.08 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 2.40 2.48 0.00 90 I 8.01 3.77 1.90 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 1.59 0.90 0.90 0.00 0.00 91 K 7.36 3.87 0.00 1.63 1.95 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.42 1.18 7.81 92 K 8.04 3.96 0.00 1.75 2.02 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 93 E 9.00 4.15 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 2.48 2.52 0.00 94 L 7.86 4.48 0.00 1.85 1.85 1.02 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.05 3.51 0.00 1.68 1.69 0.93 0.46 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 *96 K 8.11 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.