NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.8248 8.2785 119.2081 53.7894 41.1113 176.3047 5 A 3.8160 8.0069 119.6458 54.2037 18.3883 177.6551 6 K 3.9033 8.9041 119.0036 59.8990 32.5946 177.1889 7 Q 4.1329 8.0938 117.6865 59.0743 28.6463 178.6654 8 I 3.8532 7.7630 120.7425 64.3826 37.0722 178.6610 9 V 3.5898 8.0776 119.2592 66.1403 31.3164 177.5161 10 H 3.9332 8.4313 117.9401 59.4116 29.7368 177.1309 11 E 3.9822 8.4207 120.4917 59.3055 29.2553 179.1679 12 L 3.8280 8.2298 120.7409 58.0539 42.0380 178.3957 13 Y 3.9205 8.2769 119.7138 60.7097 38.5479 177.6357 14 N 4.3070 8.1975 116.1498 56.5153 39.0410 176.5840 15 D 4.4712 8.1103 119.2735 57.4782 41.3785 178.3372 16 I 3.6595 7.7112 120.5578 63.7354 36.9117 177.9705 17 S 4.0290 7.7191 113.8328 60.1724 62.6381 176.0488 18 I 3.7559 7.0081 122.3416 63.0589 37.2548 176.1376 19 S 4.5168 7.3301 113.6268 57.3782 63.0719 173.7481 20 K 4.4457 8.3697 124.3116 55.9412 32.9192 176.1042 21 D 4.4542 8.0827 121.0191 53.6084 41.6737 175.3872 22 P 4.7919 0.0000 0.0000 64.7567 31.0442 178.7065 23 K 3.9036 8.7482 116.9685 58.6440 32.0459 177.6444 24 Y 4.6810 7.7979 115.1308 57.7673 38.4901 177.4903 25 S 4.2143 7.8956 117.8714 62.0671 63.0083 176.3723 26 D 4.4871 8.1506 120.6824 57.4700 40.5851 178.7195 27 I 4.0720 7.9777 119.8763 64.5336 37.1206 178.3316 28 L 4.1132 8.4806 120.1860 57.6780 41.4689 179.0678 29 E 3.9844 8.4390 119.3211 59.3824 29.5136 179.1472 30 V 3.5183 8.2651 118.5689 65.9754 31.5094 177.9151 31 L 4.0360 8.3161 119.0147 57.8278 41.3930 179.3150 32 Q 3.7441 8.4497 119.5793 59.2060 29.1370 178.5572 33 K 3.9410 8.1678 119.4818 59.3401 31.9303 179.6213 34 V 3.5513 8.1542 119.0351 65.8847 31.4084 177.4568 35 Y 3.9857 8.2701 119.5771 60.8302 38.4584 178.1082 36 L 4.1659 7.9016 119.9497 56.9864 41.9330 179.2598 37 K 4.1047 7.8548 119.1571 59.4620 32.0204 178.7658 38 L 4.1879 7.9180 117.4106 56.7260 41.8691 178.4608 39 E 4.0235 7.6786 118.0370 56.4249 29.6940 176.0984 40 K 4.2281 7.5837 120.3505 54.8644 33.3677 177.1665 41 Q 3.8881 8.8472 125.2678 59.1564 29.1021 178.4987 42 K 3.5940 7.8880 117.2216 59.3876 32.0547 176.4117 43 Y 4.7910 7.4357 113.9460 58.0581 37.6380 175.7336 44 E 4.5566 7.9464 117.8884 55.9770 30.3671 176.9414 45 L 3.9862 7.8854 121.4199 57.5154 42.1091 177.5763 46 D 4.4872 7.5121 122.3414 51.7708 41.7009 173.4413 47 P 4.4577 0.0000 0.0000 63.6563 31.3224 177.8368 48 S 4.2645 8.2554 115.4701 61.5567 62.9611 174.7725 49 P 4.2290 0.0000 0.0000 65.4999 31.1529 178.4537 50 L 3.9148 7.8298 118.4983 58.3725 42.0897 179.0034 51 I 3.7668 8.0821 120.0135 64.1410 36.9309 177.9235 52 N 4.3314 8.4476 118.3571 56.7696 38.7014 177.1794 53 R 3.9361 7.9226 119.1248 59.0468 30.1067 178.6446 54 L 3.9929 7.9697 120.1355 58.2409 42.1030 179.1805 55 V 3.4920 8.1691 118.3788 66.2879 31.5076 177.8358 56 N 4.6372 8.3182 116.0899 56.2870 38.2261 176.9211 57 Y 4.1610 8.3720 121.5360 60.6283 38.8853 177.8127 58 L 3.9897 8.4570 120.3898 58.1370 41.7036 179.2184 59 Y 4.4135 8.0165 116.6636 60.9355 37.7203 178.1902 60 F 4.1797 8.4251 121.7111 61.7437 39.4824 177.4341 61 T 3.5933 8.1914 115.5433 66.3049 68.1482 176.6823 62 A 3.7145 8.1615 122.9116 55.0176 18.3207 179.0022 63 Y 3.7480 8.0525 117.9889 61.2379 38.7047 178.5085 64 T 3.6495 7.6103 115.2912 66.1745 68.5633 175.4865 65 N 4.4647 7.9546 115.4824 51.6721 39.7048 175.1130 66 K 3.5433 7.0823 118.5418 57.4853 30.0604 175.3236 67 I 4.0694 7.7609 118.1535 59.4704 39.0718 176.5558 68 R 4.3353 8.0405 124.0036 53.9272 30.5940 175.7634 69 F 4.6375 8.2500 122.2168 57.4939 39.6902 176.5357 70 T 4.2284 8.9440 115.4877 61.3295 70.6682 175.0966 71 E 3.9248 8.8783 121.8219 59.8626 29.4396 178.4705 72 Y 4.2230 8.0169 118.7368 60.9080 38.9891 177.7703 73 Q 3.6182 8.0187 118.6417 58.9684 28.8257 178.6191 74 E 3.9291 8.9378 119.9808 59.2274 29.5587 179.1142 75 E 3.9328 8.0516 119.5090 59.2481 29.7348 178.8668 76 L 3.8930 7.6035 119.0490 57.8236 41.5130 179.6222 77 I 3.6070 7.7392 119.8564 64.2581 37.0644 178.7201 78 R 3.9813 8.1625 119.0953 59.2864 29.7147 178.8560 79 N 4.4176 8.0946 116.0279 56.1338 38.4989 177.5243 80 L 4.0109 7.8173 120.5984 57.8494 41.4759 179.5703 81 S 4.2844 8.1014 114.5412 61.4216 62.7812 176.1504 82 E 4.0910 7.7568 120.7547 59.5188 29.5449 178.7146 83 I 3.9732 7.4011 118.4694 64.2973 37.2353 178.4881 84 G 3.6586 8.5737 108.2509 47.7738 0.0000 174.3944 *85 R 4.1618 7.8847 123.2005 56.4123 30.2118 180.0630 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 4 N 8.28 4.82 0.00 2.78 2.88 0.00 0.00 6.96 7.76 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 5 A 8.01 3.82 1.36 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 6 K 8.90 3.90 0.00 1.95 1.85 0.00 1.37 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.36 7.81 7 Q 8.09 4.13 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 8 I 7.76 3.85 1.99 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 1.41 0.92 0.88 0.00 0.00 9 V 8.08 3.59 2.36 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 1.18 0.00 0.00 1.00 0.00 0.00 10 H 8.43 3.93 0.00 3.44 3.46 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 11 E 8.42 3.98 0.00 2.17 2.04 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 2.34 2.59 0.00 12 L 8.23 3.83 0.00 1.71 1.78 0.64 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.28 3.92 0.00 3.14 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 14 N 8.20 4.31 0.00 2.93 2.90 0.00 0.00 7.05 7.59 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 15 D 8.11 4.47 0.00 3.10 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 16 I 7.71 3.66 1.66 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 1.42 0.76 0.56 0.00 0.00 17 S 7.72 4.03 0.00 3.69 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 18 I 7.01 3.76 1.86 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 1.36 0.69 0.87 0.00 0.00 19 S 7.33 4.52 0.00 3.75 3.54 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 0.00 0.00 0.00 0.00 20 K 8.37 4.45 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.34 7.81 21 D 8.08 4.45 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.79 0.00 2.17 2.10 0.00 3.92 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 23 K 8.75 3.90 0.00 1.19 1.41 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.49 7.81 24 Y 7.80 4.68 0.00 3.01 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 25 S 7.90 4.21 0.00 4.01 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 26 D 8.15 4.49 0.00 2.85 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 27 I 7.98 4.07 2.26 0.00 0.00 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 1.88 0.83 1.13 0.00 0.00 28 L 8.48 4.11 0.00 1.92 1.83 0.87 0.43 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 29 E 8.44 3.98 0.00 2.21 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 0.00 2.33 2.36 0.00 30 V 8.27 3.52 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 0.82 0.00 0.00 0.56 0.00 0.00 31 L 8.32 4.04 0.00 2.12 1.89 1.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.45 3.74 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 33 K 8.17 3.94 0.00 1.94 1.79 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.62 7.81 34 V 8.15 3.55 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 1.08 0.00 0.00 0.90 0.00 0.00 35 Y 8.27 3.99 0.00 3.07 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 36 L 7.90 4.17 0.00 1.62 1.70 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.85 4.10 0.00 1.82 1.87 0.00 1.28 0.00 0.00 1.37 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.85 7.81 38 L 7.92 4.19 0.00 1.60 1.80 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.68 4.02 0.00 1.98 1.82 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 1.80 1.68 0.00 40 K 7.58 4.23 0.00 2.08 1.65 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.55 7.81 41 Q 8.85 3.89 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 42 K 7.89 3.59 0.00 1.42 1.11 0.00 1.54 0.00 0.00 1.07 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.65 1.18 7.81 43 Y 7.44 4.79 0.00 3.22 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 44 E 7.95 4.56 0.00 2.21 1.94 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 2.45 2.32 0.00 45 L 7.89 3.99 0.00 1.56 1.71 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.51 4.49 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 47 P 0.00 4.46 0.00 2.21 2.08 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 48 S 8.26 4.26 0.00 3.94 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 49 P 0.00 4.23 0.00 2.16 2.11 0.00 3.78 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 2.12 2.15 0.00 50 L 7.83 3.91 0.00 1.71 1.82 0.83 1.02 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 51 I 8.08 3.77 1.99 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 1.62 0.76 0.97 0.00 0.00 52 N 8.45 4.33 0.00 3.02 3.02 0.00 0.00 7.15 8.44 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 53 R 7.92 3.94 0.00 2.09 1.96 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 54 L 7.97 3.99 0.00 1.77 1.87 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.17 3.49 2.27 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 1.11 0.00 0.00 0.95 0.00 0.00 56 N 8.32 4.64 0.00 2.89 2.95 0.00 0.00 6.72 7.60 0.00 0.00 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 Y 8.37 4.16 0.00 3.16 3.27 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 58 L 8.46 3.99 0.00 1.63 1.58 0.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.02 4.41 0.00 3.15 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 60 F 8.43 4.18 0.00 3.19 3.23 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 61 T 8.19 3.59 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 1.11 0.00 0.00 62 A 8.16 3.71 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 63 Y 8.05 3.75 0.00 3.14 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 64 T 7.61 3.65 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 1.06 0.00 0.00 65 N 7.95 4.46 0.00 2.52 2.61 0.00 0.00 7.16 7.70 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 66 K 7.08 3.54 0.00 1.68 1.67 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.12 1.15 7.81 67 I 7.76 4.07 1.42 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.37 0.42 0.00 0.00 68 R 8.04 4.34 0.00 1.73 1.87 0.00 3.20 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 69 F 8.25 4.64 0.00 3.12 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.94 4.23 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 1.29 0.00 0.00 71 E 8.88 3.92 0.00 2.11 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 2.46 2.45 0.00 72 Y 8.02 4.22 0.00 3.03 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 73 Q 8.02 3.62 0.00 2.43 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 74 E 8.94 3.93 0.00 2.04 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 2.58 2.76 0.00 75 E 8.05 3.93 0.00 2.22 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 2.31 2.37 0.00 76 L 7.60 3.89 0.00 1.59 1.49 0.30 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.74 3.61 1.80 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.41 0.59 0.00 0.00 78 R 8.16 3.98 0.00 2.03 2.00 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 79 N 8.09 4.42 0.00 3.00 2.85 0.00 0.00 6.99 6.01 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 80 L 7.82 4.01 0.00 1.87 1.69 0.85 0.88 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 81 S 8.10 4.28 0.00 4.08 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 82 E 7.76 4.09 0.00 2.01 2.20 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 2.33 2.36 0.00 83 I 7.40 3.97 2.01 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 1.46 0.77 0.92 0.00 0.00 84 G 8.57 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 R 7.88 4.16 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.