NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.6013 8.3231 116.7919 58.1044 66.7259 172.8271 9 G 3.7979 7.9982 113.9577 43.0236 0.0000 170.9816 10 K 3.8983 7.3618 124.8048 56.5415 31.1986 175.0359 11 R 4.1318 7.4423 117.2967 56.4413 29.0617 175.3405 12 P 4.3403 0.0000 0.0000 64.9285 31.8152 176.6351 13 I 3.9261 7.9297 117.4367 59.4973 38.9527 174.4802 14 V 4.6157 7.1214 123.1326 60.0851 32.1922 172.0846 15 A 4.3029 7.8387 125.5100 51.7417 19.6198 175.7774 16 N 5.0735 8.3877 112.1070 51.3443 39.7951 175.0350 17 S 4.4993 8.4336 116.8270 57.6633 65.6341 173.0123 18 I 4.4069 8.1760 120.3022 60.0325 38.2726 175.4525 19 Q 4.6769 8.0905 126.9869 54.1686 31.2111 176.2787 20 R 4.5647 8.4523 121.3604 55.7560 31.2731 176.7439 21 R 4.5624 8.8375 119.1406 53.7046 29.4672 173.7399 22 G 3.9463 8.1586 106.0675 46.9509 0.0000 171.8400 23 K 4.6676 8.6560 127.2132 54.4470 32.4071 175.0836 24 A 4.5649 8.0919 126.4448 50.7225 21.2250 176.4918 25 K 4.5173 7.9509 119.3629 55.4154 36.0103 175.3250 26 R 4.0578 7.9788 122.6685 58.3480 31.4326 172.5396 27 E 4.1730 10.3139 120.4183 55.1541 29.6433 176.6047 28 G 4.3824 9.7950 123.1947 46.6297 0.0000 173.6868 29 G 4.0482 8.4550 106.9289 45.7954 0.0000 175.6258 30 V 4.3689 7.7014 119.0050 58.8932 32.7102 174.9272 31 G 4.3121 7.9260 113.5993 44.0695 0.0000 174.4838 32 K 4.7463 8.6966 129.0013 54.8850 34.2983 174.3365 33 K 4.2266 8.4392 121.0337 60.0271 34.5876 175.4872 34 T 4.4745 7.8918 109.5927 62.1974 70.5594 173.8389 35 T 4.4935 8.5204 119.1137 59.5891 72.0195 173.1408 36 G 3.7249 8.9704 113.7602 46.5888 0.0000 172.7478 37 I 3.9179 8.3613 127.4992 62.5694 38.9383 175.4617 38 S 4.8477 7.5290 112.9398 57.5923 65.3012 175.8759 39 K 4.4320 8.8053 128.0684 56.4011 32.6117 176.7566 40 R 4.7036 8.3218 123.9451 54.4796 34.3278 174.0862 41 R 4.5324 8.6232 123.2208 56.0831 29.8059 175.9894 42 Q 4.5737 9.0031 127.2141 55.2188 32.3389 173.6036 43 Y 4.8260 8.2920 121.6743 56.2413 40.5148 172.6198 44 P 4.6236 0.0000 0.0000 61.7160 32.0978 175.4285 45 N 4.6393 8.5958 122.8492 51.9851 39.4466 175.6293 46 L 4.0998 8.3144 122.6939 55.5043 41.5701 177.8968 47 Q 4.3403 8.3078 121.6084 55.6535 28.5256 177.8012 48 K 4.1183 8.5515 127.3538 55.5123 31.5960 178.2594 49 V 3.8242 9.1365 115.0696 62.5198 32.5055 168.8829 50 R 4.9298 8.2479 124.0959 54.8443 32.7869 175.8997 51 V 4.3374 8.8014 123.6200 61.3249 34.1227 175.0212 52 R 4.7787 8.9358 126.9001 55.7433 31.1676 175.8058 53 V 4.3140 8.0802 117.9442 61.4317 34.7439 174.3132 54 A 3.8532 9.3819 123.7864 56.3434 17.8719 182.7672 55 G 3.3895 6.0452 99.8365 45.6589 0.0000 175.1925 56 Q 4.4124 7.1600 118.0491 54.1658 32.7629 175.9382 57 E 4.9647 7.9051 117.5057 55.1249 30.2068 175.3333 58 I 4.3217 7.9501 121.7033 60.4412 39.9974 176.8784 59 T 5.1620 8.2849 121.9540 61.8006 71.8346 172.9182 60 F 4.6245 9.2954 123.9230 55.8728 41.7551 175.2519 61 R 4.5896 8.7309 123.2731 55.0017 29.2696 174.8683 62 V 4.6424 8.0808 122.0505 59.0027 34.5546 175.8277 63 A 4.6896 8.8148 124.1398 51.6108 19.3688 176.1005 64 A 4.0452 8.6585 125.6598 55.3275 18.6628 175.9290 65 S 4.5612 8.1552 119.9427 59.1170 61.3049 174.8476 66 H 4.7354 8.4065 116.2998 55.0489 33.1270 175.0643 67 I 3.6821 8.2127 122.1311 64.1045 36.7916 175.3018 68 P 4.3945 0.0000 0.0000 66.4699 30.5413 177.8100 69 K 3.8079 7.4587 118.7221 59.0870 32.3102 177.8251 70 V 3.0773 7.7024 118.1102 66.3284 31.2279 177.3127 71 Y 4.0315 7.5078 115.2858 61.2251 37.6864 178.3061 72 E 4.1909 8.3697 118.2479 58.2442 29.6832 178.0230 73 L 4.3210 8.0696 118.4572 57.5079 42.3641 178.8774 74 V 3.7754 7.6085 117.4064 64.0547 32.1239 176.1546 75 E 4.3892 8.4494 120.7549 55.4041 28.7658 178.9953 76 R 4.3194 7.3325 117.1888 55.0989 32.1228 174.8848 77 A 4.3429 8.2514 125.4607 51.1819 17.4677 176.6590 78 K 4.4090 8.4751 119.6621 56.0652 32.7593 177.9703 79 G 3.9188 8.0885 104.2411 46.3765 0.0000 172.1677 80 L 4.5208 7.4778 117.8031 53.2357 45.0323 177.6955 81 K 4.2748 8.4484 125.5791 55.7063 31.8676 176.6873 82 L 4.0730 8.3417 122.6990 56.9434 42.4443 177.5531 83 E 4.5504 8.8531 121.4576 56.2142 32.7891 175.8197 84 G 4.2436 8.4760 111.6799 46.9047 0.0000 174.7105 85 L 4.2103 7.6184 118.1937 55.0582 42.5363 178.0656 86 S 4.2813 8.0160 109.5688 57.2842 62.3324 172.1939 87 P 4.2801 0.0000 0.0000 66.1466 31.8252 176.4650 88 K 3.9451 7.9682 117.3600 58.9705 32.4132 178.0400 89 E 4.1175 8.1671 116.7856 59.6773 28.9334 178.7751 90 I 3.7559 7.1690 120.9710 63.9396 37.1054 177.8752 91 K 4.5148 9.5083 114.9367 57.3237 32.2134 176.9882 92 K 4.4546 8.2387 117.9644 57.8920 34.5841 178.1334 93 E 4.1175 8.3418 117.5541 57.7880 30.4287 178.1345 94 L 3.2004 7.2992 113.1541 56.8884 41.7124 178.7111 95 L 4.9580 5.6200 118.7520 53.3524 45.6626 174.7079 *96 K 4.1215 8.0530 121.1899 55.2100 32.3453 172.2229 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 8 S 8.32 4.60 0.00 3.89 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 9 G 8.00 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 0.00 0.00 0.00 10 K 7.36 3.90 0.00 2.20 2.30 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.27 7.81 11 R 7.44 4.13 0.00 2.16 2.15 0.00 3.42 0.00 0.00 3.23 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 12 P 0.00 4.34 0.00 1.99 2.08 0.00 3.77 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 1.91 2.00 0.00 13 I 7.93 3.93 1.34 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.79 0.00 0.00 14 V 7.12 4.62 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 0.66 0.00 0.00 0.91 0.00 0.00 15 A 7.84 4.30 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 16 N 8.39 5.07 0.00 2.70 2.69 0.00 0.00 5.87 7.64 0.00 0.00 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 8.43 4.50 0.00 3.86 3.89 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 18 I 8.18 4.41 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 1.04 0.00 0.00 19 Q 8.09 4.68 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 20 R 8.45 4.56 0.00 1.70 1.89 0.00 3.45 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 1.64 1.58 0.00 21 R 8.84 4.56 0.00 1.85 1.88 0.00 3.18 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 22 G 8.16 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.66 4.67 0.00 2.12 1.66 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.40 7.81 24 A 8.09 4.56 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 25 K 7.95 4.52 0.00 1.85 1.62 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 26 R 7.98 4.06 0.00 1.82 1.90 0.00 3.11 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 27 E 10.31 4.17 0.00 2.26 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 2.26 2.27 0.00 28 G 9.79 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 0.00 0.00 0.00 0.00 29 G 8.46 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 30 V 7.70 4.37 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 0.81 0.00 0.00 0.99 0.00 0.00 31 G 7.93 4.31 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 0.00 32 K 8.70 4.75 0.00 2.22 1.61 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.38 7.81 33 K 8.44 4.23 0.00 1.83 1.99 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 T 7.89 4.47 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 1.20 0.00 0.00 35 T 8.52 4.49 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 8.97 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.92 1.93 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 1.11 1.13 0.93 0.00 0.00 38 S 7.53 4.85 0.00 3.92 3.70 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 39 K 8.81 4.43 0.00 1.69 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.44 7.81 40 R 8.32 4.70 0.00 1.71 1.70 0.00 3.26 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 41 R 8.62 4.53 0.00 1.75 1.90 0.00 3.45 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 42 Q 9.00 4.57 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 43 Y 8.29 4.83 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.62 0.00 2.05 2.50 0.00 3.97 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 1.87 1.94 0.00 45 N 8.60 4.64 0.00 2.62 2.75 0.00 0.00 7.19 7.85 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 46 L 8.31 4.10 0.00 1.71 1.64 0.91 0.56 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 47 Q 8.31 4.34 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 48 K 8.55 4.12 0.00 1.88 1.26 0.00 1.76 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.51 7.81 49 V 9.14 3.82 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 0.89 0.00 0.00 1.00 0.00 0.00 50 R 8.25 4.93 0.00 1.86 1.80 0.00 3.25 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 51 V 8.80 4.34 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 0.57 0.00 0.00 0.91 0.00 0.00 52 R 8.94 4.78 0.00 1.78 1.89 0.00 3.37 0.00 0.00 3.96 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 53 V 8.08 4.31 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 0.79 0.00 0.00 0.84 0.00 0.00 54 A 9.38 3.85 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 55 G 6.05 3.39 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 0.00 56 Q 7.16 4.41 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.36 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 57 E 7.91 4.96 0.00 1.82 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 2.21 2.27 0.00 58 I 7.95 4.32 1.94 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 1.34 0.84 0.66 0.00 0.00 59 T 8.28 5.16 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 60 F 9.30 4.62 0.00 2.83 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 61 R 8.73 4.59 0.00 1.79 1.90 0.00 3.07 0.00 0.00 3.39 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 62 V 8.08 4.64 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 0.69 0.00 0.00 0.91 0.00 0.00 63 A 8.81 4.69 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 64 A 8.66 4.05 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 65 S 8.16 4.56 0.00 4.08 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 0.00 66 H 8.41 4.74 0.00 3.32 3.25 0.00 5.66 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 67 I 8.21 3.68 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.61 1.10 0.00 0.00 68 P 0.00 4.39 0.00 2.27 2.36 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 69 K 7.46 3.81 0.00 1.74 2.03 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.54 7.81 70 V 7.70 3.08 1.75 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 0.11 0.00 0.00 0.31 0.00 0.00 71 Y 7.51 4.03 0.00 3.24 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 72 E 8.37 4.19 0.00 1.95 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 0.00 2.33 2.36 0.00 73 L 8.07 4.32 0.00 1.70 1.68 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.61 3.78 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 0.97 0.00 0.00 75 E 8.45 4.39 0.00 2.06 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 2.35 2.31 0.00 76 R 7.33 4.32 0.00 1.87 1.84 0.00 3.37 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 77 A 8.25 4.34 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.41 0.00 1.76 1.83 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.42 7.81 79 G 8.09 3.92 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 0.00 0.00 0.00 80 L 7.48 4.52 0.00 1.59 1.57 0.92 0.99 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 81 K 8.45 4.27 0.00 1.74 1.77 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 82 L 8.34 4.07 0.00 1.58 1.57 0.92 0.78 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 83 E 8.85 4.55 0.00 1.88 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 2.13 2.29 0.00 84 G 8.48 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 0.00 0.00 0.00 0.00 85 L 7.62 4.21 0.00 1.61 1.64 0.87 0.86 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 86 S 8.02 4.28 0.00 4.09 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 87 P 0.00 4.28 0.00 2.12 2.15 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 88 K 7.97 3.95 0.00 1.74 1.94 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.52 7.81 89 E 8.17 4.12 0.00 2.17 2.22 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 2.52 2.36 0.00 90 I 7.17 3.76 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 1.24 0.00 0.00 91 K 9.51 4.51 0.00 1.88 1.92 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.31 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.71 1.80 7.81 92 K 8.24 4.45 0.00 2.04 1.73 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.43 7.81 93 E 8.34 4.12 0.00 2.14 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 2.33 2.27 0.00 94 L 7.30 3.20 0.00 1.93 1.62 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 95 L 5.62 4.96 0.00 1.77 1.79 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 8.05 4.12 0.00 1.52 1.62 0.00 1.61 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.