NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.4159 8.3649 120.1912 54.2304 42.5690 174.4186 *7 H 4.6428 8.1946 119.4107 55.8667 30.5749 172.1628 8 I 4.9395 8.1480 121.6683 59.9368 39.4094 174.7204 9 Y 4.2532 9.4986 123.9591 56.1567 40.9600 173.9077 10 E 5.0404 9.0127 125.4812 54.3216 31.9653 174.7156 11 L 4.9161 8.7359 126.5211 52.9381 44.5279 175.4568 12 V 4.7821 8.6201 122.9514 61.1277 34.5986 174.6670 13 S 5.0598 9.3417 123.0740 56.6987 63.5729 173.0581 14 R 4.5209 8.6967 126.8037 56.2246 30.6264 175.9099 15 D 4.6034 8.4394 120.0998 53.1938 44.1061 175.2098 16 R 4.0829 8.8520 125.0056 59.3403 30.1866 177.9132 17 T 4.3634 7.9406 104.8119 62.1710 70.8205 174.1087 18 H 5.0926 8.5392 118.3772 54.2138 29.2461 171.7892 19 P 4.7092 0.0000 0.0000 62.6226 32.8965 177.8548 20 V 4.4513 8.7164 122.1494 61.1721 34.3313 174.3940 21 R 4.9754 8.6837 126.0183 54.3616 33.0473 175.0362 22 I 4.5094 8.3779 123.6181 59.6181 41.0129 173.8294 23 Y 5.0261 8.7018 124.1169 56.2705 40.3538 174.5480 24 L 5.3840 9.4440 124.6453 53.0326 45.0252 175.4854 25 L 5.4657 9.4608 122.9055 53.6576 43.2210 175.0484 26 H 5.0261 9.3009 121.3829 54.7287 33.1903 174.4321 27 S 4.1668 8.8075 118.6595 59.8347 63.5824 173.6588 28 E 4.4425 7.6609 121.0751 54.5980 30.6849 174.3387 29 Y 4.3478 8.2990 125.9891 56.5989 39.5338 174.4459 30 W 4.5413 9.1993 128.8830 54.7202 31.1201 176.9347 31 T 4.0662 8.5403 113.7283 61.3468 70.1652 175.1653 32 E 4.2336 8.9273 122.2012 59.9111 29.6019 178.8038 33 D 4.4832 8.2722 118.2856 57.5394 40.9613 178.5062 34 E 4.1181 8.4624 119.1213 59.2306 29.2985 179.0457 35 F 4.3086 8.7705 121.1034 61.6987 39.4985 176.7020 36 Y 3.6238 8.3152 116.3929 61.2135 37.5962 178.5705 37 N 4.3767 8.6672 117.5433 56.2399 38.5241 177.4469 38 L 3.9435 7.9512 120.5569 57.5822 41.5320 179.4402 39 L 3.6873 7.3583 118.8897 57.5968 41.2601 179.4658 40 L 3.6807 7.0508 117.0607 57.7038 41.7523 178.9585 41 E 4.0300 8.2934 118.4198 59.5317 29.4130 179.3705 42 A 2.7927 7.7420 120.4223 54.9377 18.5631 179.6257 43 F 4.4457 8.3324 117.7493 60.2199 38.7163 177.6253 44 Q 4.2548 7.8453 115.9728 57.5771 28.6207 176.8490 45 R 4.4506 7.8213 117.1048 55.6734 32.1011 176.0076 46 S 4.6147 7.2507 112.3816 56.3245 64.7163 173.5687 47 S 4.3593 9.1471 116.4182 58.1089 63.5113 173.4807 48 A 4.4649 8.1348 120.8381 52.1392 18.7216 177.7155 49 S 4.3047 7.4136 113.1375 59.2225 64.0101 174.3654 50 D 4.6033 8.3232 121.5354 53.9579 42.5261 177.5468 51 W 4.4230 8.7977 130.3763 61.0112 30.5035 177.7210 52 H 4.2931 8.2768 114.9024 57.3463 27.9560 176.5976 53 L 4.1456 7.2207 120.7550 56.6223 42.3945 178.0685 54 Q 3.7847 8.1658 119.7732 59.1905 28.7764 178.2912 55 I 2.6207 6.9361 119.5942 63.8663 37.6843 177.7508 56 L 3.8698 7.2996 119.6290 57.8639 41.4171 179.4506 57 E 3.9413 7.8294 118.0571 59.1631 29.4105 179.3649 58 V 3.6472 7.9346 118.5216 65.9253 31.5701 177.9391 59 S 3.9585 8.0998 112.8858 61.2768 62.2244 175.6539 60 K 3.7861 8.1434 122.5056 60.0624 31.7942 177.8812 61 Y 4.0273 8.1596 119.3148 60.6647 38.7108 177.7669 62 L 3.8834 8.1955 120.1337 57.5635 41.2463 179.7634 63 V 4.0335 7.8671 119.5713 66.0079 31.3563 178.3673 64 T 3.8928 7.8555 113.8562 66.1740 68.4201 176.0574 65 A 4.2768 7.8680 120.8419 52.8035 19.4157 177.3581 66 H 4.7857 7.6674 111.5429 55.0759 30.4310 174.1446 67 G 3.9008 8.0797 105.6520 46.0135 0.0000 174.3092 68 F 4.4105 8.0892 117.8375 57.1787 40.4827 174.3062 69 V 4.5584 8.7660 121.1567 60.9546 34.4909 174.1651 70 E 4.7236 8.9361 128.8006 56.0830 30.0607 176.0688 71 A 4.4408 9.1448 129.6670 51.2087 19.4032 177.8218 72 G 3.6079 8.8714 108.2000 46.1776 0.0000 174.3437 73 G 4.0770 6.8284 105.8922 44.9611 0.0000 170.7539 74 L 4.4477 7.6090 120.0880 53.1073 44.7983 175.5364 75 Q 4.7367 8.3784 123.6139 54.1786 31.8145 174.4629 76 E 4.6577 8.1853 119.4913 54.8030 32.8275 174.6202 77 I 4.3974 8.0560 124.6152 59.5182 40.9305 174.9508 78 G 4.0456 7.7624 112.4874 43.8612 0.0000 171.4166 79 F 4.9608 8.1771 118.5610 54.5306 43.4436 173.0117 80 P 4.4694 0.0000 0.0000 62.4373 31.6726 178.3143 81 G 3.7471 8.7040 110.6808 48.0441 0.0000 174.2036 82 E 4.2427 7.9885 115.8217 56.6441 30.4420 176.3420 83 L 4.0380 7.5722 123.4987 54.6566 42.6307 177.3593 84 S 4.3090 8.4839 121.0188 58.1731 65.0476 175.1778 85 K 3.8042 8.4993 123.3541 59.8392 31.9045 179.3326 86 T 3.8354 7.7450 115.6973 66.5976 68.4020 176.3491 87 E 3.9079 8.2839 120.5932 59.2548 29.3942 179.3341 88 V 2.9973 7.7886 118.5774 66.0725 31.3753 178.1107 89 R 3.7919 7.8845 118.0479 59.3755 29.7735 178.7243 90 R 3.9248 7.9005 118.0959 59.2255 30.0055 179.2040 91 R 4.0192 8.2719 118.1788 59.2402 30.0466 179.1979 92 I 3.8581 8.0817 119.9301 64.6194 37.1097 178.3220 93 N 4.4254 8.5504 117.2567 56.0427 38.0697 177.4627 94 A 4.0080 8.1121 121.8820 55.0251 18.5776 179.0778 95 F 4.1860 8.2897 118.1717 61.6002 39.6016 177.2068 96 L 4.1608 8.1855 117.3175 55.7208 41.4618 177.3819 97 G 4.0409 8.0392 112.1123 45.7242 0.0000 173.0495 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 D 8.36 4.42 0.00 2.65 2.65 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 *7 H 8.19 4.64 0.00 3.52 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.15 4.94 1.84 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 0.57 1.09 0.00 0.00 9 Y 9.50 4.25 0.00 2.75 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 0.00 0.00 0.00 10 E 9.01 5.04 0.00 2.00 1.84 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 1.99 1.62 0.00 11 L 8.74 4.92 0.00 1.61 1.70 0.91 0.97 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 V 8.62 4.78 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 0.87 0.00 0.00 0.91 0.00 0.00 13 S 9.34 5.06 0.00 3.75 3.73 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 14 R 8.70 4.52 0.00 1.79 1.88 0.00 3.31 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 15 D 8.44 4.60 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.85 4.08 0.00 1.82 1.98 0.00 3.22 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 1.64 1.63 0.00 17 T 7.94 4.36 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 1.16 0.00 0.00 18 H 8.54 5.09 0.00 3.07 3.22 0.00 5.68 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 19 P 0.00 4.71 0.00 1.96 2.01 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 20 V 8.72 4.45 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 0.92 0.00 0.00 0.91 0.00 0.00 21 R 8.68 4.98 0.00 1.67 1.46 0.00 3.30 0.00 0.00 3.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 22 I 8.38 4.51 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.89 0.00 0.00 23 Y 8.70 5.03 0.00 2.91 2.89 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 24 L 9.44 5.38 0.00 1.80 1.83 0.66 0.69 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 25 L 9.46 5.47 0.00 1.61 1.63 0.96 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 H 9.30 5.03 0.00 2.61 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.81 4.17 0.00 4.03 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 28 E 7.66 4.44 0.00 1.78 1.59 0.00 0.00 0.00 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 1.78 0.00 29 Y 8.30 4.35 0.00 2.64 2.77 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 0.00 0.00 0.00 30 W 9.20 4.54 0.00 2.78 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 31 T 8.54 4.07 4.38 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 1.42 0.00 0.00 32 E 8.93 4.23 0.00 2.30 2.18 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 2.62 2.91 0.00 33 D 8.27 4.48 0.00 2.89 2.77 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 0.00 0.00 0.00 34 E 8.46 4.12 0.00 2.49 2.42 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 2.49 2.43 0.00 35 F 8.77 4.31 0.00 3.16 3.28 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 36 Y 8.32 3.62 0.00 3.18 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 37 N 8.67 4.38 0.00 3.06 2.91 0.00 0.00 7.08 6.44 0.00 0.00 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 L 7.95 3.94 0.00 1.76 1.55 -0.03 0.05 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 39 L 7.36 3.69 0.00 1.31 0.99 0.51 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.05 3.68 0.00 1.71 1.68 0.89 1.04 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 41 E 8.29 4.03 0.00 2.20 2.00 0.00 0.00 0.00 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 2.39 0.00 42 A 7.74 2.79 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 43 F 8.33 4.45 0.00 3.18 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 44 Q 7.85 4.25 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 45 R 7.82 4.45 0.00 1.70 1.93 0.00 3.16 0.00 0.00 2.95 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 46 S 7.25 4.61 0.00 4.18 4.12 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 47 S 9.15 4.36 0.00 3.89 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 48 A 8.13 4.46 1.22 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 0.00 0.00 49 S 7.41 4.30 0.00 3.91 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 50 D 8.32 4.60 0.00 2.74 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 51 W 8.80 4.42 0.00 3.40 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 52 H 8.28 4.29 0.00 3.31 3.43 0.00 5.17 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.22 4.15 0.00 1.62 1.56 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.17 3.78 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 55 I 6.94 2.62 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.54 0.00 0.00 56 L 7.30 3.87 0.00 1.77 1.61 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.83 3.94 0.00 2.09 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 2.35 2.28 0.00 58 V 7.93 3.65 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 1.10 0.00 0.00 1.26 0.00 0.00 59 S 8.10 3.96 0.00 3.86 3.93 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 0.00 0.00 0.00 0.00 60 K 8.14 3.79 0.00 2.11 1.90 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 61 Y 8.16 4.03 0.00 3.14 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 62 L 8.20 3.88 0.00 1.56 0.89 0.47 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.87 4.03 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 1.39 0.00 0.00 0.99 0.00 0.00 64 T 7.86 3.89 4.17 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 1.17 0.00 0.00 65 A 7.87 4.28 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.79 0.00 3.40 3.43 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.08 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 68 F 8.09 4.41 0.00 2.96 2.99 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 0.00 0.00 0.00 69 V 8.77 4.56 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 0.98 0.00 0.00 0.94 0.00 0.00 70 E 8.94 4.72 0.00 2.07 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 2.34 2.38 0.00 71 A 9.14 4.44 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 72 G 8.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.83 4.08 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 0.00 0.00 0.00 74 L 7.61 4.45 0.00 0.38 0.93 0.69 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.38 4.74 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 76 E 8.19 4.66 0.00 1.80 1.68 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 2.11 2.22 0.00 77 I 8.06 4.40 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.63 0.67 0.00 0.00 78 G 7.76 4.05 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 0.00 0.00 0.00 79 F 8.18 4.96 0.00 2.99 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 80 P 0.00 4.47 0.00 2.22 2.01 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 81 G 8.70 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 0.00 0.00 0.00 82 E 7.99 4.24 0.00 2.09 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 2.26 2.30 0.00 83 L 7.57 4.04 0.00 1.80 1.59 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.48 4.31 0.00 4.06 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 85 K 8.50 3.80 0.00 1.80 1.81 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.47 7.81 86 T 7.75 3.84 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 1.19 0.00 0.00 87 E 8.28 3.91 0.00 2.04 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 2.31 2.45 0.00 88 V 7.79 3.00 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 0.10 0.00 0.00 0.64 0.00 0.00 89 R 7.88 3.79 0.00 1.98 1.97 0.00 3.13 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 90 R 7.90 3.92 0.00 2.04 1.96 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 91 R 8.27 4.02 0.00 2.07 2.23 0.00 3.39 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 92 I 8.08 3.86 2.02 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 1.68 0.83 0.98 0.00 0.00 93 N 8.55 4.43 0.00 2.75 2.89 0.00 0.00 6.95 7.34 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 94 A 8.11 4.01 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 95 F 8.29 4.19 0.00 3.09 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 96 L 8.19 4.16 0.00 1.88 1.78 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.04 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.