NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.6567 8.1200 121.8596 55.8506 34.7982 174.8858 2 K 4.8412 7.9931 122.0127 54.1543 34.5076 173.0334 3 A 4.9418 9.3771 130.7857 50.0857 22.0591 174.7030 4 V 4.8175 8.8001 121.6216 61.0268 34.2415 174.8123 5 I 4.4097 8.6161 128.2567 59.8062 39.7358 175.9317 6 N 4.6330 8.7989 125.6787 51.1546 37.6368 175.6233 7 G 4.0462 9.2102 114.1484 48.2186 0.0000 173.3768 8 E 3.9669 8.1561 116.7810 59.0396 29.6521 177.6982 9 Q 4.2781 8.3064 116.5006 56.1576 29.2707 175.9597 10 I 4.0226 7.3156 120.1207 61.1717 37.5721 176.0081 11 R 4.5210 8.3777 122.1442 55.4059 31.8364 175.5828 12 S 4.5296 7.2764 111.8941 56.5140 66.2947 176.5533 13 I 3.6918 7.9279 121.2449 64.2945 37.7158 177.7074 14 S 4.2684 8.1201 114.6266 61.5115 62.7289 175.9220 15 D 4.4044 7.8203 121.3040 57.2428 40.4961 178.7915 16 L 4.0033 7.7069 119.3580 58.2317 41.5844 179.3620 17 H 4.3113 8.1657 116.0940 59.1332 28.7794 178.0007 18 Q 4.1264 8.8331 120.1483 58.9099 28.5006 178.9349 19 T 3.8940 8.1408 117.1649 66.6287 68.4731 176.7289 20 L 4.0582 8.1695 121.1046 57.5943 41.5413 179.4315 21 K 3.5802 8.2334 119.9222 59.2605 31.9667 178.8145 22 K 3.8781 7.9068 119.4091 59.7397 32.0566 178.8560 23 E 3.9693 8.5760 117.4867 58.6688 29.4761 177.8324 24 L 4.3143 8.1311 116.2104 53.4500 42.5777 175.8818 25 A 3.6136 7.3765 120.5863 53.1878 16.0901 176.9618 26 L 4.1674 7.9752 121.2296 53.7426 43.1609 177.7045 27 A 4.1686 8.2699 122.3868 52.1087 18.8617 178.1895 28 E 3.8361 8.9383 122.0580 59.0939 29.5982 177.5372 29 Y 4.5747 7.8723 113.4077 57.4687 38.3870 174.6294 30 Y 4.2587 8.1982 121.1680 58.2876 39.0451 177.2684 31 G 3.3564 8.1132 114.6035 46.2574 0.0000 172.9088 32 E 3.4640 5.9000 118.1987 56.4287 26.9960 173.2533 33 N 4.7833 6.9034 113.1244 51.0960 40.6708 175.1811 34 L 4.0282 8.6778 119.1486 58.3770 41.9371 179.0110 35 D 4.4250 8.1990 116.6342 57.2550 41.1666 177.5244 36 A 4.0806 9.2017 122.9083 55.1302 18.6386 179.6788 37 L 4.5253 8.1067 115.3987 55.9418 41.6394 178.3197 *39 D 4.5722 8.2213 118.9071 53.7989 42.7161 177.8545 40 A 4.1073 8.3239 121.3809 54.9613 18.7174 178.8531 41 L 4.2201 7.8978 115.7753 58.1196 41.7581 178.8128 42 T 4.2892 7.9511 107.0700 63.7191 69.2783 174.9796 43 G 4.0999 7.9727 111.5963 44.6947 0.0000 172.5294 *45 V 3.6764 7.7189 117.4661 62.2264 32.5351 173.8116 46 E 4.4238 8.2227 124.2779 54.8524 31.1594 175.1712 47 Y 4.7890 7.9165 119.9751 55.3336 40.5107 173.8149 48 P 4.7557 0.0000 0.0000 62.8672 32.8868 174.9714 49 L 4.9770 9.1962 125.8159 53.2440 45.1953 174.9486 50 V 4.7944 9.1271 126.4227 60.9400 34.3836 173.7863 51 L 4.9824 9.0461 130.1175 53.5825 44.4913 175.1743 52 E 4.6210 9.0213 129.1646 54.7436 32.7473 174.4032 *54 R 4.2651 8.2274 117.2355 56.3963 32.1711 175.8022 55 Q 3.5362 8.4896 117.7770 56.4928 26.7955 175.7437 56 F 3.9631 8.4235 120.5422 61.6664 39.5878 175.2206 57 E 3.8900 8.3045 118.1821 59.2960 29.4929 178.6288 58 Q 3.9600 7.9793 117.9434 58.9545 28.9574 178.7518 59 S 4.1017 7.8962 115.0546 60.7837 62.8884 176.5897 60 K 3.7057 7.4864 123.6431 59.4477 31.8068 178.8422 61 Q 3.9581 8.0206 118.3326 58.8714 28.4842 178.1222 62 L 4.4282 7.7242 116.6612 55.6673 41.8636 177.3861 63 T 4.4971 7.1753 107.9888 60.2936 69.8885 173.9250 64 E 3.6292 8.6791 119.0986 58.3943 27.5251 174.9967 65 N 4.2169 8.6920 112.0931 54.0023 37.8721 177.3170 66 G 3.6517 8.3753 107.6325 47.7846 0.0000 175.8627 67 A 4.0867 8.0794 122.9156 55.1066 18.1955 179.3596 68 E 4.1452 8.1688 118.0031 59.6172 29.5825 179.2494 69 S 4.2081 8.1369 115.4306 61.4301 62.6491 176.7603 70 V 3.6766 7.8259 120.6156 65.9450 31.3938 177.6966 71 L 4.3317 8.4576 120.3358 58.3146 41.9481 178.8961 72 Q 4.0828 8.3647 118.2055 58.8885 28.6193 179.0014 73 V 3.5883 7.7062 119.1284 66.0946 31.5866 178.1772 74 F 4.1897 7.9380 116.1694 60.6588 38.7631 177.9612 75 R 4.0616 8.3027 117.7771 59.0735 29.7913 179.0111 76 E 3.9678 8.8483 118.8260 59.3479 29.4066 179.1545 77 A 3.9929 8.1404 120.8467 54.9104 18.3713 179.6635 78 K 3.9891 8.1887 118.0449 59.6292 32.0916 178.9189 79 A 4.0360 8.3580 120.3004 55.0646 18.3344 178.5793 80 E 4.2902 7.8923 114.1590 56.6972 29.6176 177.7343 81 G 3.9260 7.9790 107.4690 44.6218 0.0000 174.2151 82 A 3.5648 7.7046 122.3307 51.7926 19.1147 178.3079 83 D 4.5648 8.0215 122.1799 53.1499 40.2725 173.7979 84 I 5.2026 7.7831 121.6433 59.1436 41.1103 174.5064 85 T 4.6330 9.1184 122.7573 61.7795 71.5092 172.8886 86 I 4.8323 8.4170 126.7480 59.4853 39.5712 174.9252 87 I 4.2382 8.7637 128.4191 59.7581 38.8454 175.8667 88 L 4.4088 8.4998 128.4894 53.2822 41.5426 177.1539 89 S 4.3660 8.3108 118.5683 58.4459 63.0329 174.5676 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 1 K 8.12 4.66 0.00 1.81 1.86 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.24 7.81 2 K 7.99 4.84 0.00 1.80 1.64 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.56 7.81 3 A 9.38 4.94 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 4 V 8.80 4.82 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 0.81 0.00 0.00 0.96 0.00 0.00 5 I 8.62 4.41 1.88 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 1.23 0.77 0.92 0.00 0.00 6 N 8.80 4.63 0.00 2.71 2.76 0.00 0.00 6.98 7.95 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 7 G 9.21 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 8 E 8.16 3.97 0.00 2.08 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 2.27 2.46 0.00 9 Q 8.31 4.28 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 10 I 7.32 4.02 1.96 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 1.37 0.71 0.91 0.00 0.00 11 R 8.38 4.52 0.00 1.87 1.91 0.00 3.36 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 12 S 7.28 4.53 0.00 3.98 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 13 I 7.93 3.69 1.90 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 1.76 1.30 0.95 0.00 0.00 14 S 8.12 4.27 0.00 4.28 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 15 D 7.82 4.40 0.00 3.11 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 16 L 7.71 4.00 0.00 1.85 1.69 0.93 1.16 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 17 H 8.17 4.31 0.00 3.46 3.63 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.83 4.13 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 19 T 8.14 3.89 4.39 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 1.21 0.00 0.00 20 L 8.17 4.06 0.00 1.89 1.75 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.23 3.58 0.00 1.90 2.04 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.40 7.81 22 K 7.91 3.88 0.00 1.93 1.91 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.50 7.81 23 E 8.58 3.97 0.00 1.99 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 2.45 2.63 0.00 24 L 8.13 4.31 0.00 1.60 1.63 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.38 3.61 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 26 L 7.98 4.17 0.00 1.30 1.29 -0.13 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.27 4.17 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 28 E 8.94 3.84 0.00 1.83 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 1.95 1.47 0.00 29 Y 7.87 4.57 0.00 3.04 2.98 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 0.00 0.00 0.00 30 Y 8.20 4.26 0.00 2.93 2.98 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 0.00 0.00 0.00 31 G 8.11 3.36 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 32 E 5.90 3.46 0.00 1.96 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 2.34 0.00 33 N 6.90 4.78 0.00 2.80 2.72 0.00 0.00 6.09 6.67 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 34 L 8.68 4.03 0.00 1.66 1.81 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.20 4.43 0.00 2.77 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 36 A 9.20 4.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.53 0.00 1.94 1.86 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 *39 D 8.22 4.57 0.00 2.94 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 40 A 8.32 4.11 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 41 L 7.90 4.22 0.00 1.77 1.80 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.95 4.29 4.28 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 1.24 0.00 0.00 43 G 7.97 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 0.00 0.00 0.00 *45 V 7.72 3.68 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 0.45 0.00 0.00 0.92 0.00 0.00 46 E 8.22 4.42 0.00 1.88 1.77 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 2.17 2.21 0.00 47 Y 7.92 4.79 0.00 3.04 2.88 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 0.00 0.00 0.00 48 P 0.00 4.76 0.00 2.12 2.02 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 49 L 9.20 4.98 0.00 1.81 1.78 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 V 9.13 4.79 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 0.78 0.00 0.00 0.94 0.00 0.00 51 L 9.05 4.98 0.00 1.43 1.21 0.74 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.02 4.62 0.00 2.00 1.79 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 2.21 2.25 0.00 *54 R 8.23 4.27 0.00 1.85 1.89 0.00 3.33 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 55 Q 8.49 3.54 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 56 F 8.42 3.96 0.00 3.18 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 57 E 8.30 3.89 0.00 2.21 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 2.40 2.46 0.00 58 Q 7.98 3.96 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 59 S 7.90 4.10 0.00 3.94 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 60 K 7.49 3.71 0.00 1.56 1.76 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.17 1.52 7.81 61 Q 8.02 3.96 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 62 L 7.72 4.43 0.00 1.70 1.72 0.90 0.62 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 63 T 7.18 4.50 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 1.22 0.00 0.00 64 E 8.68 3.63 0.00 2.04 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 2.25 2.40 0.00 65 N 8.69 4.22 0.00 2.94 2.92 0.00 0.00 6.96 8.02 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 66 G 8.38 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 67 A 8.08 4.09 1.13 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 0.00 0.00 68 E 8.17 4.15 0.00 2.24 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 2.39 2.48 0.00 69 S 8.14 4.21 0.00 4.11 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 70 V 7.83 3.68 2.19 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 1.25 0.00 0.00 0.93 0.00 0.00 71 L 8.46 4.33 0.00 2.09 2.09 0.89 0.58 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 72 Q 8.36 4.08 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 73 V 7.71 3.59 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 0.86 0.00 0.00 0.98 0.00 0.00 74 F 7.94 4.19 0.00 3.36 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 75 R 8.30 4.06 0.00 2.05 2.00 0.00 3.10 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 76 E 8.85 3.97 0.00 2.20 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 2.34 2.34 0.00 77 A 8.14 3.99 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 78 K 8.19 3.99 0.00 2.00 2.01 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 79 A 8.36 4.04 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 80 E 7.89 4.29 0.00 2.07 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 2.40 2.46 0.00 81 G 7.98 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 0.00 0.00 0.00 82 A 7.70 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.02 4.56 0.00 2.68 2.57 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 84 I 7.78 5.20 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.79 1.06 0.00 0.00 85 T 9.12 4.63 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 1.19 0.00 0.00 86 I 8.42 4.83 1.79 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 1.15 0.52 0.81 0.00 0.00 87 I 8.76 4.24 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.55 0.88 0.00 0.00 88 L 8.50 4.41 0.00 1.38 1.44 0.57 0.57 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 89 S 8.31 4.37 0.00 3.86 3.77 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 * Residues marked with a * may have inaccurate shift predictions.