NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3378 8.2649 123.5795 52.0444 19.7807 175.1296 3 V 4.4621 7.3101 113.7869 57.4206 36.5865 174.2571 4 T 4.7690 8.2245 111.1821 60.0670 73.2654 174.3970 5 Y 4.4324 8.4538 124.3196 60.4017 39.0975 177.7663 6 E 3.7369 8.2887 119.8085 59.3538 29.6972 178.9203 7 K 4.1019 8.1471 118.6407 59.5815 32.0917 179.5612 8 T 4.0215 8.2144 110.0641 64.4938 68.6394 176.5409 9 F 3.8887 8.3785 124.2184 61.0525 39.2743 176.9825 10 E 4.0265 8.1984 117.8898 59.5519 29.1699 179.4573 11 I 3.6133 7.9259 119.9012 64.0989 37.1654 178.1045 12 E 3.7777 7.9700 120.1914 59.2908 29.3832 178.9662 13 I 3.4822 7.2644 119.7481 64.2922 37.0950 178.4376 14 I 3.5528 7.7384 120.7658 64.5145 36.5360 178.2120 15 N 4.1644 8.2217 117.4685 56.1958 38.3162 177.4386 16 E 3.8668 7.9369 119.8082 59.1408 29.6566 179.0461 17 L 3.9042 7.9867 120.8847 58.1519 42.1781 179.1194 18 S 2.9538 7.9290 114.3772 60.7716 62.4687 176.3065 19 A 3.8426 7.3065 123.7775 54.9202 18.2199 179.4325 20 S 4.0159 7.7385 111.1249 61.5343 62.4726 176.6266 21 V 3.6320 7.8324 120.7546 66.1777 31.3795 177.2794 22 Y 4.1173 8.4664 119.6680 60.9241 38.6999 177.7196 23 N 4.3600 8.7339 117.8002 56.3473 38.5039 177.2048 24 R 3.8935 7.9351 119.8515 59.5092 30.1432 178.8271 25 V 3.5326 7.5804 117.4153 65.7232 31.4801 177.6132 26 L 3.7799 7.9285 120.4884 58.2662 41.7996 178.5287 27 N 4.2826 8.5860 116.6147 56.6071 38.4926 176.7347 28 Y 3.9123 7.8216 120.6106 60.6532 38.9441 178.0808 29 V 3.7265 8.0597 119.1833 66.2104 31.6382 178.0496 30 L 4.0493 8.2502 118.9277 57.6655 41.3201 178.4251 31 N 4.6269 8.1507 113.4346 54.1576 38.7171 175.1884 32 H 4.6099 7.2660 115.4499 54.4117 30.1174 173.2688 33 E 3.8448 7.9114 117.7535 56.9945 27.6601 175.1390 34 L 4.1277 7.6823 116.9833 54.1698 42.5531 177.0184 35 N 4.4345 8.6190 120.7195 53.4030 38.4971 175.8067 36 K 4.0491 8.6948 126.2589 58.7992 32.3010 177.5938 37 N 4.8107 9.1025 115.9819 52.8647 38.7120 175.0552 38 D 4.8099 7.9919 121.2259 51.9553 40.7009 176.4846 39 S 4.3828 8.2909 116.2149 59.1459 63.3486 175.8324 40 Q 4.1025 8.2804 122.8294 58.5949 29.2444 176.8503 41 L 4.1652 7.8431 119.2830 53.9216 42.9327 177.1126 42 L 3.9340 8.6892 125.7505 58.7931 41.9557 179.2730 43 E 3.9328 8.0684 117.5765 59.1847 29.3504 179.3854 44 V 3.6217 7.7175 118.0720 65.7738 31.7108 177.4069 45 N 4.2976 8.4916 117.2483 56.5724 38.8167 176.5949 46 L 3.9859 7.9584 121.7375 58.0550 42.2424 178.5190 47 L 3.9806 8.0277 120.3532 58.5127 41.9874 178.8259 48 N 4.4933 8.6228 116.5946 56.3450 38.3822 177.5139 49 Q 4.0567 8.1490 119.6760 58.9894 28.7856 178.7317 50 L 4.2662 8.3035 120.0594 57.6824 41.5492 179.7162 51 K 4.1067 8.3984 118.6764 59.4214 31.8041 179.1144 52 L 3.9735 7.8510 119.3002 58.1065 42.0883 178.5488 53 A 3.9949 7.9632 119.8393 55.1140 18.2201 179.5291 54 K 4.2792 8.6202 116.9037 59.2027 31.9570 179.3497 55 R 4.1606 7.6587 116.9118 57.1377 30.0884 177.2480 56 V 3.7512 6.8182 111.1205 60.9742 32.4777 175.3300 57 N 4.6148 7.9777 119.5166 51.6700 38.6770 175.1616 58 L 3.9500 7.9613 126.3987 57.1078 41.8354 178.6559 59 F 4.5956 7.6115 115.6803 58.8423 38.9579 175.2728 60 D 4.9713 7.6553 120.3784 54.0362 41.3795 175.0614 61 Y 5.3240 7.7111 113.4662 55.2882 41.2358 176.3702 62 S 4.5639 9.2026 118.8635 57.4124 65.5167 175.2999 63 L 3.9425 8.3922 122.7280 58.3456 41.7606 178.3054 64 E 4.0782 8.1686 118.5766 59.5343 29.5396 178.4780 65 E 3.8549 8.0779 118.2572 59.3048 29.3483 179.3994 66 L 4.0229 8.2233 119.2577 57.9609 41.6941 179.5922 67 Q 4.0415 8.4306 117.9208 58.6919 28.4890 178.7803 68 A 3.9459 7.9989 121.9885 55.1737 18.4797 179.7821 69 V 3.5397 8.0241 117.1576 66.3898 31.5544 177.6527 70 H 4.3927 8.6626 118.2853 59.4594 29.6951 176.9301 71 E 3.9869 8.2991 121.1660 59.1149 29.3740 177.9596 72 Y 3.8875 8.2826 120.1973 60.6710 38.7738 178.4441 73 W 4.1484 8.3918 119.4650 59.4200 29.1212 178.9501 74 R 4.0257 8.0784 118.7837 59.1808 29.4337 179.1171 75 S 4.0950 8.3889 114.5735 61.8018 62.9437 176.4901 76 M 4.0149 7.9449 122.2365 57.4763 31.3710 178.2979 77 N 4.3550 8.2917 117.7278 56.7414 38.9234 177.1381 78 R 3.9453 8.0041 119.3890 59.3739 30.1104 178.4408 79 Y 4.1500 8.3152 119.8213 60.7868 38.7723 178.0642 80 S 3.8204 8.4692 115.5944 61.5210 62.8617 176.6609 81 K 3.8682 7.7187 121.7975 59.1165 31.5147 179.1567 82 Q 3.8581 7.3300 118.8721 59.0070 29.0791 177.9488 83 V 3.4372 7.2542 118.5056 65.7680 31.5424 177.7170 84 L 3.7160 7.6329 117.8389 56.3307 42.8576 177.7122 85 N 4.6930 7.5783 117.5616 50.9477 37.0008 174.7646 86 K 3.7982 8.1013 123.1880 59.9937 32.8854 177.3268 *87 E 4.1515 7.9713 117.4540 56.1337 30.3413 177.6131 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 2 A 8.26 4.34 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 3 V 7.31 4.46 2.16 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 0.76 0.00 0.00 0.97 0.00 0.00 4 T 8.22 4.77 4.32 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 1.26 0.00 0.00 5 Y 8.45 4.43 0.00 3.08 3.07 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 0.00 0.00 0.00 0.00 6 E 8.29 3.74 0.00 2.07 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 2.39 2.38 0.00 7 K 8.15 4.10 0.00 1.94 1.91 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.49 7.81 8 T 8.21 4.02 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 1.41 0.00 0.00 9 F 8.38 3.89 0.00 2.44 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.03 0.00 2.31 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 2.60 2.57 0.00 11 I 7.93 3.61 1.99 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 1.31 0.88 0.69 0.00 0.00 12 E 7.97 3.78 0.00 2.01 1.70 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 2.21 2.37 0.00 13 I 7.26 3.48 1.76 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.55 0.79 0.00 0.00 14 I 7.74 3.55 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.66 0.89 0.00 0.00 15 N 8.22 4.16 0.00 2.82 2.73 0.00 0.00 7.09 8.09 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 16 E 7.94 3.87 0.00 2.06 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 2.24 2.49 0.00 17 L 7.99 3.90 0.00 1.76 1.63 0.97 1.31 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 18 S 7.93 2.95 0.00 2.72 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 19 A 7.31 3.84 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 20 S 7.74 4.02 0.00 3.89 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 21 V 7.83 3.63 2.41 0.00 0.00 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 1.18 0.00 0.00 22 Y 8.47 4.12 0.00 3.19 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 23 N 8.73 4.36 0.00 2.82 2.89 0.00 0.00 6.71 7.36 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 24 R 7.94 3.89 0.00 2.03 2.15 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 25 V 7.58 3.53 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 0.87 0.00 0.00 0.94 0.00 0.00 26 L 7.93 3.78 0.00 1.21 1.67 0.90 0.73 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 27 N 8.59 4.28 0.00 2.97 2.90 0.00 0.00 6.72 7.44 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 28 Y 7.82 3.91 0.00 2.97 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 29 V 8.06 3.73 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 1.01 0.00 0.00 1.01 0.00 0.00 30 L 8.25 4.05 0.00 1.71 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.15 4.63 0.00 2.56 2.67 0.00 0.00 6.85 8.77 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 32 H 7.27 4.61 0.00 3.20 3.11 0.00 5.80 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 33 E 7.91 3.84 0.00 2.06 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 2.22 2.38 0.00 34 L 7.68 4.13 0.00 1.70 1.63 1.06 0.95 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 35 N 8.62 4.43 0.00 2.73 2.74 0.00 0.00 7.13 6.93 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 36 K 8.69 4.05 0.00 1.81 1.89 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 37 N 9.10 4.81 0.00 2.84 2.84 0.00 0.00 6.69 8.10 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 38 D 7.99 4.81 0.00 2.64 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 39 S 8.29 4.38 0.00 4.03 3.99 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 40 Q 8.28 4.10 0.00 2.04 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 41 L 7.84 4.17 0.00 1.78 1.60 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.69 3.93 0.00 1.74 1.65 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.07 3.93 0.00 2.12 1.93 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 1.80 2.07 0.00 44 V 7.72 3.62 2.23 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 1.22 0.00 0.00 0.96 0.00 0.00 45 N 8.49 4.30 0.00 3.08 2.99 0.00 0.00 6.85 7.13 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 46 L 7.96 3.99 0.00 1.90 1.84 1.08 0.59 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 47 L 8.03 3.98 0.00 1.88 1.88 0.59 0.52 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 48 N 8.62 4.49 0.00 2.99 2.90 0.00 0.00 7.07 7.36 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 49 Q 8.15 4.06 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 50 L 8.30 4.27 0.00 2.25 2.35 1.14 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.40 4.11 0.00 2.14 1.96 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.72 2.00 7.81 52 L 7.85 3.97 0.00 1.67 1.95 0.92 1.13 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 53 A 7.96 3.99 1.10 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 54 K 8.62 4.28 0.00 2.03 1.81 0.00 1.32 0.00 0.00 1.13 0.00 0.00 2.66 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.95 7.81 55 R 7.66 4.16 0.00 1.90 1.99 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 56 V 6.82 3.75 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 0.76 0.00 0.00 1.13 0.00 0.00 57 N 7.98 4.61 0.00 2.70 2.54 0.00 0.00 6.88 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 58 L 7.96 3.95 0.00 1.17 1.56 0.80 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.61 4.60 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.66 4.97 0.00 2.54 2.48 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 61 Y 7.71 5.32 0.00 3.09 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 62 S 9.20 4.56 0.00 4.07 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 63 L 8.39 3.94 0.00 1.81 1.74 0.96 0.87 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 64 E 8.17 4.08 0.00 2.04 1.93 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 2.37 2.34 0.00 65 E 8.08 3.85 0.00 2.22 1.48 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 2.20 2.31 0.00 66 L 8.22 4.02 0.00 1.91 1.77 1.02 1.50 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 67 Q 8.43 4.04 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 68 A 8.00 3.95 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 69 V 8.02 3.54 2.30 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 1.27 0.00 0.00 0.84 0.00 0.00 70 H 8.66 4.39 0.00 3.43 3.51 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.30 3.99 0.00 2.14 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 0.00 2.29 2.34 0.00 72 Y 8.28 3.89 0.00 2.93 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 73 W 8.39 4.15 0.00 3.58 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 74 R 8.08 4.03 0.00 2.05 2.00 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 75 S 8.39 4.09 0.00 3.88 4.07 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 0.00 0.00 0.00 0.00 76 M 7.94 4.01 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 77 N 8.29 4.36 0.00 3.08 3.05 0.00 0.00 7.08 7.21 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 78 R 8.00 3.95 0.00 2.10 1.98 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 79 Y 8.32 4.15 0.00 2.99 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 80 S 8.47 3.82 0.00 3.98 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 81 K 7.72 3.87 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.44 1.67 7.81 82 Q 7.33 3.86 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 83 V 7.25 3.44 1.54 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 0.59 0.00 0.00 -0.27 0.00 0.00 84 L 7.63 3.72 0.00 1.53 1.51 0.87 0.46 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 85 N 7.58 4.69 0.00 2.87 2.75 0.00 0.00 7.05 7.62 0.00 0.00 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 K 8.10 3.80 0.00 1.71 1.88 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.22 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.51 7.81 *87 E 7.97 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.