NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.6237 8.3231 116.7896 58.4885 66.2011 172.8756 9 G 3.9760 7.1343 109.8491 43.5990 0.0000 172.6276 10 K 4.9313 10.3626 134.0485 57.9214 32.0512 172.6175 11 R 4.2220 7.6672 119.6441 54.9751 28.3498 175.1701 12 P 4.9592 0.0000 0.0000 62.7740 34.1567 174.8067 13 I 4.4550 7.1062 121.8717 60.2756 38.3384 175.6061 14 V 4.4317 8.4099 116.9193 59.2248 33.6140 174.5663 15 A 4.5097 8.2608 124.1151 51.7379 21.1313 176.5810 16 N 3.6848 8.5160 117.4202 55.0166 38.9320 171.8659 17 S 4.6272 6.8158 110.0430 58.7932 67.5439 175.1317 18 I 4.8645 8.6070 119.5420 60.2523 40.0623 175.1178 19 Q 4.7422 9.0175 125.0239 53.6610 32.2316 175.6031 20 R 5.1046 8.3969 125.8514 55.7189 29.2895 176.8164 21 R 4.4787 9.0731 120.9814 57.5316 36.8682 175.1896 22 G 3.7178 8.0195 99.5307 46.5666 0.0000 171.2876 23 K 4.3352 8.1336 124.4388 55.5237 32.6191 175.7793 24 A 4.9289 8.4090 127.0140 50.8525 20.7577 176.4248 25 K 4.5467 8.5184 121.5522 55.2944 35.3043 175.3830 26 R 4.0417 8.5525 122.0830 56.5956 31.1407 173.6567 27 E 3.5747 9.4285 116.4573 58.9385 29.5070 177.2693 28 G 4.2220 7.3997 118.7347 45.2617 0.0000 175.1231 29 G 4.0674 8.2520 108.4359 45.3421 0.0000 174.1294 30 V 4.4449 7.2316 118.9170 61.4939 31.3112 175.0295 31 G 4.3400 7.3797 110.3697 45.5474 0.0000 175.3002 32 K 4.2482 7.1901 121.9953 54.6714 36.8994 174.1698 33 K 4.7384 8.8146 126.7071 58.6253 34.8654 176.6041 34 T 4.4702 7.9212 109.3615 62.0079 70.2286 173.6676 35 T 4.6664 7.9841 116.8474 59.4717 71.8533 173.6642 36 G 3.9512 8.6397 111.5788 46.7978 0.0000 172.8233 37 I 4.4974 7.9453 122.1537 62.1388 39.9189 175.9135 38 S 4.5894 7.5740 111.2186 57.2040 64.5678 175.9827 39 K 4.3718 8.8593 125.7546 56.8326 32.6311 176.4206 40 R 4.6109 8.6150 123.1817 54.7878 34.3374 174.4061 41 R 4.8313 8.4470 122.4255 54.9801 29.2489 175.7894 42 Q 4.2391 8.9516 125.0415 55.7947 31.0250 173.9417 43 Y 5.0451 8.6049 126.1506 55.6269 39.7975 173.5266 44 P 4.5679 0.0000 0.0000 61.5630 31.9084 175.5830 45 N 4.6659 8.2200 124.7772 52.8852 39.7493 174.0046 46 L 4.6956 8.0634 117.7301 54.8177 43.2708 178.2027 47 Q 3.6344 8.7686 122.1549 58.5946 30.0471 176.8138 48 K 4.6444 8.8076 118.1054 52.8041 33.0128 174.6201 49 V 4.5675 8.9480 125.9785 61.3307 35.1448 173.7819 50 R 4.4418 8.5560 125.9854 55.9127 31.0834 175.6279 51 V 4.3758 9.2990 127.1501 61.0332 33.8619 174.6537 52 R 4.6650 8.6439 127.5186 56.2353 30.8942 176.4836 53 V 4.5642 9.2865 121.9082 61.1589 35.4612 174.9633 54 A 4.5890 8.7835 128.4803 52.2341 18.5220 178.5307 55 G 3.9425 8.0985 108.8357 49.8149 0.0000 173.1604 56 Q 4.4900 7.4778 124.3485 55.7200 35.0444 175.1723 57 E 4.7425 7.7039 114.7383 56.0369 31.7981 175.7926 58 I 4.0408 7.5801 120.4793 61.6385 38.3906 175.3123 59 T 5.1808 8.2186 121.0220 61.9237 71.6052 173.5120 60 F 4.7299 8.9606 122.4775 55.1163 43.4068 175.3545 61 R 4.8791 8.2859 123.7179 55.2822 28.6894 176.4531 62 V 3.8842 7.8416 118.7180 61.7747 32.7739 177.9904 63 A 4.1646 8.5956 122.5148 52.9051 18.3992 177.8594 64 A 4.2118 8.2925 125.6651 53.1703 17.0865 180.7966 65 S 4.3169 7.9547 107.0981 60.5580 63.5187 174.4630 66 H 4.8334 8.0491 117.1925 55.5513 29.5312 175.5395 67 I 3.6513 7.6337 123.4327 64.9140 36.2557 175.3541 68 P 4.2238 0.0000 0.0000 66.4224 30.6918 178.0574 69 K 4.4007 8.0901 119.9175 57.8111 32.6401 178.8524 70 V 3.0810 7.5748 119.0332 66.3567 31.3783 177.5433 71 Y 4.0256 8.9298 116.8072 60.5315 37.3906 177.7461 72 E 3.9084 8.0786 119.3919 59.3996 30.1055 178.3078 73 L 4.0607 7.7639 118.6849 58.0901 41.5402 179.5883 74 V 3.6184 7.5511 116.7593 66.1719 31.5996 177.2475 75 E 4.6607 7.9177 117.7882 55.4540 30.4955 178.1954 76 R 4.4328 7.6655 118.5680 54.7431 32.0754 175.5018 77 A 4.3908 8.1079 127.2308 51.2237 16.9168 179.4116 78 K 4.1105 8.3210 127.8710 60.9824 31.7462 179.3968 79 G 4.0735 7.2288 103.3052 46.7238 0.0000 176.0982 80 L 4.7357 7.6665 120.5148 52.4881 46.1120 178.9427 81 K 4.4008 8.5018 125.2744 55.3299 31.4358 176.5899 82 L 4.1740 8.5188 128.8172 55.9141 42.7328 176.1768 83 E 5.4495 8.9400 129.0396 55.4979 31.0046 178.8194 84 G 3.9705 8.4155 105.7959 46.3829 0.0000 172.8275 85 L 4.4245 7.2131 116.7649 51.6017 44.8403 176.2423 86 S 4.4870 8.0376 114.4625 57.8895 62.4838 172.3283 87 P 4.5957 0.0000 0.0000 64.8319 31.7388 175.8306 88 K 3.7772 8.7378 114.7321 58.9641 31.6522 179.1200 89 E 4.2081 8.4798 121.6702 60.6616 30.7571 178.5753 90 I 3.6420 9.3967 119.2782 63.9812 37.0661 177.5139 91 K 4.0455 9.0370 123.7098 60.0695 32.4549 179.2954 92 K 4.1605 9.1110 117.9581 59.0345 33.2495 179.0426 93 E 4.4019 10.4132 118.1312 56.6025 27.1222 175.6174 94 L 4.7409 7.6286 126.8294 54.4466 42.9544 175.2535 95 L 4.2377 8.2863 119.6278 54.4283 45.4957 175.5118 *96 K 4.1215 8.4624 120.1057 55.1717 32.3453 172.5625 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 4.62 0.00 3.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.13 3.98 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 0.00 0.00 0.00 10 K 10.36 4.93 0.00 1.82 2.08 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.15 7.81 11 R 7.67 4.22 0.00 2.08 2.16 0.00 3.37 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 12 P 0.00 4.96 0.00 2.17 2.15 0.00 3.83 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 13 I 7.11 4.45 1.75 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 1.43 0.75 0.73 0.00 0.00 14 V 8.41 4.43 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 0.91 0.00 0.00 15 A 8.26 4.51 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 16 N 8.52 3.68 0.00 2.70 2.73 0.00 0.00 6.02 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 6.82 4.63 0.00 3.79 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 18 I 8.61 4.86 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 1.01 0.00 0.00 19 Q 9.02 4.74 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 20 R 8.40 5.10 0.00 1.81 1.68 0.00 3.55 0.00 0.00 3.84 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 21 R 9.07 4.48 0.00 1.80 1.88 0.00 3.41 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 22 G 8.02 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 23 K 8.13 4.34 0.00 1.83 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.54 7.81 24 A 8.41 4.93 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 25 K 8.52 4.55 0.00 1.81 1.62 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.37 7.81 26 R 8.55 4.04 0.00 1.77 1.87 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 0.00 27 E 9.43 3.57 0.00 2.22 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 2.33 2.41 0.00 28 G 7.40 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 0.00 0.00 0.00 29 G 8.25 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 0.00 0.00 0.00 30 V 7.23 4.44 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 0.82 0.00 0.00 0.93 0.00 0.00 31 G 7.38 4.34 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 0.00 32 K 7.19 4.25 0.00 1.75 1.65 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 33 K 8.81 4.74 0.00 1.84 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.44 7.81 34 T 7.92 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 1.21 0.00 0.00 35 T 7.98 4.67 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 8.64 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 37 I 7.95 4.50 2.12 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 1.28 0.97 0.91 0.00 0.00 38 S 7.57 4.59 0.00 3.83 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 39 K 8.86 4.37 0.00 1.67 1.80 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 40 R 8.62 4.61 0.00 1.81 1.72 0.00 3.34 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 41 R 8.45 4.83 0.00 1.73 1.89 0.00 3.45 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 42 Q 8.95 4.24 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 43 Y 8.60 5.05 0.00 2.85 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 44 P 0.00 4.57 0.00 2.05 2.49 0.00 3.94 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 1.99 1.97 0.00 45 N 8.22 4.67 0.00 2.56 2.75 0.00 0.00 6.92 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 8.06 4.70 0.00 1.68 1.63 0.85 0.37 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 47 Q 8.77 3.63 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 48 K 8.81 4.64 0.00 1.87 1.63 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.49 7.81 49 V 8.95 4.57 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 0.99 0.00 0.00 50 R 8.56 4.44 0.00 1.88 1.84 0.00 3.24 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 51 V 9.30 4.38 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 52 R 8.64 4.66 0.00 1.79 1.89 0.00 3.24 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 53 V 9.29 4.56 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 1.06 0.00 0.00 0.77 0.00 0.00 54 A 8.78 4.59 1.32 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 0.00 0.00 0.00 55 G 8.10 3.94 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 0.00 0.00 0.00 56 Q 7.48 4.49 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.42 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 57 E 7.70 4.74 0.00 1.94 1.87 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 2.19 2.23 0.00 58 I 7.58 4.04 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.60 0.00 0.00 59 T 8.22 5.18 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 1.21 0.00 0.00 60 F 8.96 4.73 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.29 4.88 0.00 1.82 1.89 0.00 3.25 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 62 V 7.84 3.88 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 0.82 0.00 0.00 0.96 0.00 0.00 63 A 8.60 4.16 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 64 A 8.29 4.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.32 0.00 4.03 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 8.05 4.83 0.00 3.16 3.29 0.00 5.68 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.63 3.65 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 1.02 0.00 0.00 68 P 0.00 4.22 0.00 2.28 2.28 0.00 3.65 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 2.08 2.07 0.00 69 K 8.09 4.40 0.00 1.94 1.81 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.61 7.81 70 V 7.57 3.08 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.44 0.00 0.00 71 Y 8.93 4.03 0.00 3.20 2.95 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 72 E 8.08 3.91 0.00 1.96 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 2.41 0.00 73 L 7.76 4.06 0.00 1.83 1.69 0.94 0.84 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 74 V 7.55 3.62 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 0.88 0.00 0.00 0.85 0.00 0.00 75 E 7.92 4.66 0.00 2.30 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 2.37 2.55 0.00 76 R 7.67 4.43 0.00 1.84 1.83 0.00 3.33 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 77 A 8.11 4.39 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 8.32 4.11 0.00 1.85 1.83 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.65 7.81 79 G 7.23 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 0.00 0.00 0.00 80 L 7.67 4.74 0.00 1.63 1.54 0.93 1.13 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 8.50 4.40 0.00 1.74 1.61 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.38 7.81 82 L 8.52 4.17 0.00 1.58 1.58 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.94 5.45 0.00 2.08 1.87 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 2.11 2.12 0.00 84 G 8.42 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 85 L 7.21 4.42 0.00 1.56 1.48 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.04 4.49 0.00 4.10 3.98 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 87 P 0.00 4.60 0.00 2.05 2.11 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 88 K 8.74 3.78 0.00 1.80 1.68 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.49 7.81 89 E 8.48 4.21 0.00 2.18 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 0.00 2.38 2.41 0.00 90 I 9.40 3.64 2.14 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 1.74 0.91 1.10 0.00 0.00 91 K 9.04 4.05 0.00 1.88 1.95 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.64 1.71 7.81 92 K 9.11 4.16 0.00 1.77 1.87 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.52 7.81 93 E 10.41 4.40 0.00 1.96 1.95 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 2.51 2.47 0.00 94 L 7.63 4.74 0.00 1.66 1.16 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.29 4.24 0.00 1.64 1.55 0.92 0.78 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 *96 K 8.46 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.91 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.