NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2578 8.2549 120.8588 55.9759 31.2501 174.9286 3 K 4.3642 8.4379 124.2119 55.0477 33.8512 171.0440 4 V 4.4424 8.5724 123.1732 61.0139 34.4290 174.5742 5 R 4.5304 8.7725 125.5710 55.3038 30.4608 176.1996 6 P 4.0107 0.0000 0.0000 65.9032 31.2599 178.2617 7 E 4.1065 8.1376 114.3413 58.3882 29.7947 177.7877 8 E 4.3649 8.9116 119.8414 56.9812 29.9830 178.0043 9 L 4.0048 7.5536 120.0444 57.5954 41.6556 177.2683 10 P 4.3453 0.0000 0.0000 65.8610 30.9480 178.4805 11 A 4.0191 7.8306 117.9295 55.1052 18.8838 179.2469 12 L 4.0619 7.5998 117.2495 57.8131 41.7258 179.4023 13 L 3.9638 8.3518 119.2758 58.2846 41.4556 179.5456 14 E 4.1644 7.6950 116.6252 59.4746 29.4958 178.7355 15 E 4.2615 7.8214 115.6615 56.4867 29.6262 177.1350 16 G 3.8551 8.4102 107.5087 46.1747 0.0000 174.5486 17 V 3.6293 7.7649 111.9422 61.0964 32.3389 175.5684 18 L 4.2818 7.9516 126.5683 54.6024 43.3313 175.4329 19 V 4.5002 8.3338 126.3881 61.5339 33.6442 174.3537 20 V 4.8175 9.6029 127.9643 61.1092 34.4630 173.5337 21 D 5.2138 9.1540 128.6885 53.7073 42.1797 176.6939 22 V 4.9521 8.5096 118.9057 60.6585 32.6789 176.8160 23 R 4.4025 8.1747 121.4508 55.5699 30.6563 175.3200 24 P 5.1050 0.0000 0.0000 61.7514 32.9654 177.9295 25 A 4.1990 8.6810 120.9513 52.8996 17.7386 178.3798 *28 R 4.1660 7.7950 114.5409 57.8393 31.1773 175.9984 29 S 4.1254 7.6136 114.5600 59.6597 63.3476 175.5363 30 T 3.8001 6.6761 113.1581 61.8512 69.3642 172.9201 31 P 4.2230 0.0000 0.0000 62.8199 32.1679 175.6178 32 L 4.4754 8.0322 120.7648 52.8380 42.1476 174.1664 33 P 4.2851 0.0000 0.0000 62.7060 30.9877 176.1935 34 F 5.0316 7.5313 115.6674 56.2484 43.0392 175.5099 35 A 4.3302 8.5902 127.0642 51.4562 16.5747 176.8110 36 A 4.8316 7.7046 123.2356 50.3974 21.3271 176.8326 37 E 4.6031 8.6919 120.7129 54.2827 31.8346 174.7063 38 W 5.0108 8.8982 135.0000 56.8532 31.7619 175.8494 39 V 3.8275 8.6905 127.8335 59.9523 33.3302 172.7382 40 P 4.6512 0.0000 0.0000 61.4714 32.2435 177.3872 41 L 3.8252 8.6824 124.1991 58.3892 42.0263 179.2166 42 E 3.8314 8.1702 116.9357 59.9239 29.1700 179.3878 43 K 4.1569 7.6406 118.5930 58.8498 32.2891 179.2979 44 I 3.6971 7.5288 120.0220 64.0632 36.7078 178.3508 45 Q 3.0294 8.1826 118.4932 57.4910 28.6300 177.5038 46 K 4.3169 7.5792 117.7000 55.1793 32.1611 177.8257 47 G 3.9813 7.4019 106.6745 46.0524 0.0000 174.6371 48 E 4.3017 7.5631 119.7145 55.1969 28.4936 173.7171 49 H 5.0030 7.3963 113.8982 54.9460 32.6110 173.8708 50 G 4.2225 8.1665 106.5191 44.2506 0.0000 173.3202 51 L 4.1304 8.1674 118.9028 53.5014 42.5209 176.1205 52 P 4.5409 0.0000 0.0000 62.9134 32.3162 177.3317 53 R 4.5087 8.3070 120.0024 54.9607 28.2505 175.5453 54 R 4.7381 7.5103 114.6500 53.4661 32.3150 173.7740 55 P 4.5946 0.0000 0.0000 63.6040 32.5306 175.3499 56 L 5.0257 8.7460 122.4151 52.8806 45.3651 175.1400 57 L 4.6214 9.1103 126.5256 53.5071 43.8241 174.9273 58 L 4.7915 8.3124 126.8075 53.9480 43.7269 176.3164 59 V 5.0062 8.7659 115.8963 60.1926 36.5045 173.9461 60 C 4.7413 8.2858 115.4029 57.6632 32.2957 174.0938 61 E 4.0234 9.0992 119.3627 59.0487 29.4186 178.3680 62 K 4.6207 7.8499 112.4881 54.4855 33.3652 176.8498 63 G 4.0545 8.4250 107.8023 45.2714 0.0000 175.4781 64 L 4.1477 7.9786 120.4998 57.5700 42.3446 179.2724 65 L 4.2090 7.9573 118.4256 57.6267 41.6244 179.3883 66 S 4.1047 8.0418 113.8212 61.5182 62.6564 176.2435 67 Q 3.9242 7.4150 122.8581 58.6539 28.9968 178.1071 68 V 3.6264 7.3877 119.3101 66.0454 31.7222 177.9440 69 A 4.2770 8.3647 120.5046 55.1842 17.9543 179.3800 70 A 4.0044 7.9950 118.7726 54.6981 18.5925 179.4145 71 L 4.0352 8.1064 119.6277 58.3860 42.4160 178.2000 72 Y 4.2276 7.8747 116.1714 61.5384 37.8077 178.9533 73 L 4.4022 8.1756 119.3896 57.6602 41.5194 179.3607 74 E 4.2887 8.4835 120.0795 58.6685 29.1151 179.2335 75 A 4.0207 7.4825 118.5556 55.3008 18.6949 179.3967 76 E 4.0930 8.2072 114.6120 57.5640 29.6241 177.8997 77 G 4.0299 7.4715 106.1730 45.2328 0.0000 173.8710 78 Y 4.3285 8.2878 118.1136 58.1052 38.7383 174.6054 79 E 4.7849 8.6908 124.0013 54.8782 28.9429 174.6342 80 A 5.3975 8.1713 126.1215 49.1806 22.0646 175.8833 *82 S 4.7562 8.2142 111.6893 58.4159 65.2216 172.8828 83 L 4.7379 8.1423 122.6308 53.7489 42.9398 175.5621 84 E 4.1205 8.6484 128.7796 57.8408 29.6497 177.1087 85 G 3.8829 8.8790 114.9010 44.3922 0.0000 174.3335 86 G 4.1932 8.0259 108.3018 45.0369 0.0000 174.1424 87 L 4.3931 8.2305 119.3725 55.8759 41.8296 177.9147 88 Q 4.1730 7.7106 118.8716 57.9267 29.0975 177.7305 89 A 4.1081 7.5303 118.6445 53.8470 18.6207 177.3044 90 L 4.2995 7.4411 120.4736 54.7390 41.8200 176.3689 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 R 8.25 4.26 0.00 1.78 1.90 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 3 K 8.44 4.36 0.00 1.76 1.71 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.44 7.81 4 V 8.57 4.44 2.13 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 0.98 0.00 0.00 0.93 0.00 0.00 5 R 8.77 4.53 0.00 1.90 2.04 0.00 3.05 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 6 P 0.00 4.01 0.00 2.20 2.20 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 7 E 8.14 4.11 0.00 2.13 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 2.29 2.40 0.00 8 E 8.91 4.36 0.00 2.05 2.02 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 0.00 2.28 2.34 0.00 9 L 7.55 4.00 0.00 1.89 1.84 1.21 0.82 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 10 P 0.00 4.35 0.00 2.17 2.16 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 11 A 7.83 4.02 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.60 4.06 0.00 1.78 1.68 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.35 3.96 0.00 1.68 1.80 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.69 4.16 0.00 1.91 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 2.37 2.68 0.00 15 E 7.82 4.26 0.00 2.11 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 2.68 0.00 16 G 8.41 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.76 3.63 2.02 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 0.68 0.00 0.00 0.87 0.00 0.00 18 L 7.95 4.28 0.00 1.91 1.51 0.91 0.80 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 19 V 8.33 4.50 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 0.85 0.00 0.00 0.57 0.00 0.00 20 V 9.60 4.82 2.01 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 0.83 0.00 0.00 0.86 0.00 0.00 21 D 9.15 5.21 0.00 3.00 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 22 V 8.51 4.95 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 0.86 0.00 0.00 1.01 0.00 0.00 23 R 8.17 4.40 0.00 2.17 2.04 0.00 3.28 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 24 P 0.00 5.10 0.00 2.29 2.19 0.00 3.49 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 25 A 8.68 4.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.17 0.00 1.74 1.87 0.00 2.77 0.00 0.00 2.83 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.86 0.00 29 S 7.61 4.13 0.00 4.01 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 30 T 6.68 3.80 4.23 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 1.31 0.00 0.00 31 P 0.00 4.22 0.00 2.00 2.01 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 32 L 8.03 4.48 0.00 1.63 1.54 0.99 1.07 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 33 P 0.00 4.29 0.00 1.50 1.77 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.50 0.00 34 F 7.53 5.03 0.00 3.09 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.59 4.33 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.70 4.83 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 37 E 8.69 4.60 0.00 2.10 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 2.27 2.28 0.00 38 W 8.90 5.01 0.00 3.27 3.18 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 39 V 8.69 3.83 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 0.73 0.00 0.00 0.88 0.00 0.00 40 P 0.00 4.65 0.00 1.82 1.94 0.00 3.13 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.44 0.00 41 L 8.68 3.83 0.00 1.70 1.65 1.00 0.76 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 42 E 8.17 3.83 0.00 2.17 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 2.23 2.35 0.00 43 K 7.64 4.16 0.00 1.76 1.74 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.36 7.81 44 I 7.53 3.70 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.06 0.78 0.00 0.00 45 Q 8.18 3.03 0.00 1.83 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 1.91 2.38 0.00 46 K 7.58 4.32 0.00 1.84 1.75 0.00 1.94 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.56 7.81 47 G 7.40 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 48 E 7.56 4.30 0.00 2.00 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 2.31 2.20 0.00 49 H 7.40 5.00 0.00 3.14 3.20 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.17 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 51 L 8.17 4.13 0.00 1.36 1.40 0.51 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.54 0.00 2.23 2.09 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 53 R 8.31 4.51 0.00 1.84 1.93 0.00 3.13 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 54 R 7.51 4.74 0.00 1.88 1.88 0.00 3.09 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 55 P 0.00 4.59 0.00 2.09 2.04 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 56 L 8.75 5.03 0.00 1.47 1.40 0.45 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.11 4.62 0.00 1.58 1.37 0.84 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.31 4.79 0.00 1.65 1.53 0.90 0.81 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 59 V 8.77 5.01 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 0.74 0.00 0.00 1.10 0.00 0.00 60 C 8.29 4.74 0.00 2.99 3.05 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 61 E 9.10 4.02 0.00 2.15 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 2.40 2.44 0.00 62 K 7.85 4.62 0.00 1.75 1.78 0.00 1.83 0.00 0.00 2.38 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.37 7.81 63 G 8.43 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 64 L 7.98 4.15 0.00 1.74 1.73 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.96 4.21 0.00 1.72 1.73 0.97 0.87 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 66 S 8.04 4.10 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.41 3.92 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 68 V 7.39 3.63 2.28 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 1.06 0.00 0.00 0.99 0.00 0.00 69 A 8.36 4.28 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.00 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 71 L 8.11 4.04 0.00 1.64 1.77 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.87 4.23 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 73 L 8.18 4.40 0.00 1.74 1.77 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.48 4.29 0.00 2.17 2.02 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 0.00 2.36 2.46 0.00 75 A 7.48 4.02 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 76 E 8.21 4.09 0.00 2.25 2.01 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 2.39 2.66 0.00 77 G 7.47 4.03 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 0.00 0.00 0.00 78 Y 8.29 4.33 0.00 3.21 2.83 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 0.00 0.00 0.00 79 E 8.69 4.78 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 2.30 2.31 0.00 80 A 8.17 5.40 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 *82 S 8.21 4.76 0.00 3.93 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 83 L 8.14 4.74 0.00 1.80 1.63 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.65 4.12 0.00 1.99 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 2.33 2.27 0.00 85 G 8.88 3.88 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 0.00 0.00 0.00 86 G 8.03 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.23 4.39 0.00 1.68 1.74 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.71 4.17 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 89 A 7.53 4.11 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 90 L 7.44 4.30 0.00 1.81 1.57 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.