NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2653 8.3149 120.1267 55.6217 33.5300 175.3005 5 E 3.5794 8.4666 120.1790 55.9272 29.8221 174.7351 6 D 4.6092 8.6622 122.3772 52.7788 43.8409 175.6686 7 F 4.5904 8.8700 122.6492 56.6584 40.7655 174.6269 8 V 3.7606 7.9440 121.6856 64.6407 31.3212 176.6775 9 G 3.9149 9.0036 114.8998 45.7228 0.0000 172.9985 10 H 4.6617 8.1642 117.2223 56.1502 30.3598 174.2945 11 Q 4.8100 8.5303 117.5250 54.6134 33.8127 174.0602 12 V 4.3476 8.2104 122.7499 61.2635 33.7217 174.5769 13 L 5.0695 8.4756 127.0942 53.0067 45.5052 175.7012 14 R 4.5416 9.0144 122.9169 54.8620 31.1799 174.9680 15 I 4.7528 9.0838 127.4084 61.0201 39.2022 175.6071 16 T 4.6615 8.5526 120.6531 61.9978 71.6463 173.5866 17 A 4.4580 8.5993 129.5283 50.5628 19.6943 177.2798 18 A 3.9292 9.2415 126.2993 55.0935 18.7990 176.8198 19 D 4.9266 7.5565 112.8620 50.6413 43.0671 176.1162 20 E 3.8196 8.7047 119.5139 59.3359 29.5760 178.9988 21 A 3.9893 8.0098 120.3536 55.4394 18.3546 179.4067 22 E 3.9734 8.6228 117.1427 59.1450 29.4647 180.0340 23 V 3.6405 7.5972 118.2245 66.1851 31.8309 177.8891 24 Q 4.0615 8.2091 117.7459 59.3564 28.2573 179.0967 25 T 4.3882 7.8501 117.8066 65.7209 68.4236 176.9657 26 V 3.9375 7.7245 120.7801 64.2397 31.5162 178.4934 27 K 4.0099 7.8807 118.9496 58.8204 31.7233 178.2353 28 E 4.2910 8.2736 117.0128 57.3321 29.0153 177.5641 29 L 4.1683 7.4163 120.1248 55.4188 42.9530 177.5481 30 E 3.9598 8.0769 118.8298 59.2849 29.6400 177.3269 31 D 4.4716 7.9955 117.7870 57.1740 41.4337 177.3107 32 L 4.3686 7.2759 119.9528 54.2218 39.3751 176.9791 33 E 3.9778 8.6038 122.9409 59.5230 29.8725 179.4044 34 H 4.2930 8.2631 112.3188 58.0870 28.5454 176.4399 34B L 3.8500 7.5221 119.6904 55.6662 41.9675 176.8024 34C Q 3.4730 7.6209 116.0054 56.7938 26.4401 174.0513 35 L 4.1191 7.6229 116.1979 54.6086 42.9459 177.1283 36 D 4.8492 8.4899 123.0180 52.3824 42.5683 174.7163 37 F 4.3696 8.8709 124.3601 56.9740 38.4643 175.4578 38 W 4.4041 8.9990 125.3395 58.9965 29.8996 177.2215 39 R 4.6937 8.9883 120.1829 53.6185 29.4139 174.5395 40 G 4.3384 8.5407 109.6930 45.0629 0.0000 169.0603 41 P 4.5552 0.0000 0.0000 63.1825 32.7151 176.3846 42 G 3.7191 7.9976 112.9390 44.8470 0.0000 172.3609 *47 Q 4.4114 8.4137 121.2279 54.8767 29.9151 173.0710 48 P 4.3039 0.0000 0.0000 63.6667 32.1299 174.8797 49 G 4.2548 8.4910 109.1036 46.1746 0.0000 175.0436 50 S 4.3767 7.2320 114.2602 57.3976 63.4566 172.0578 51 P 4.6485 0.0000 0.0000 62.6189 32.8163 175.8757 52 I 5.2646 8.4548 122.4841 59.2980 39.4834 173.9449 53 D 5.7815 8.9216 127.4405 52.1158 43.0704 176.2439 54 V 4.6010 7.8096 120.9336 60.1461 35.2813 173.3197 55 R 4.4479 8.8318 124.3823 54.9490 31.6089 175.0439 56 V 4.4331 8.2269 120.7067 58.6639 33.9916 174.0861 57 P 3.8171 0.0000 0.0000 62.4760 32.2793 177.2213 58 F 4.1114 8.7562 123.8838 61.1324 39.4464 175.8572 59 P 4.1929 0.0000 0.0000 64.5989 31.3773 177.6763 60 S 4.5267 7.5101 112.1141 58.1455 63.0938 175.5621 61 L 3.7441 7.3357 125.0427 58.3908 41.8429 178.8326 62 Q 3.8569 7.6575 118.5081 59.0396 29.0645 177.8635 63 A 4.0037 7.8035 121.4000 55.0327 18.3555 179.6964 64 V 3.4209 7.7721 116.7302 66.2469 31.5818 177.9173 65 K 3.4914 7.7421 117.8618 59.6906 31.9247 179.1352 66 V 3.6447 8.1401 118.1612 66.1180 31.1414 178.2009 67 F 4.0284 7.7684 119.3612 61.3192 39.5140 176.7056 68 L 4.2315 8.3280 118.7289 57.8812 41.4694 179.0074 69 E 4.0179 9.1007 118.3671 59.9293 29.3934 179.7177 70 A 4.1448 8.2621 118.9542 54.8123 18.4031 178.3167 71 H 4.4918 8.0819 112.5178 54.3368 29.9723 175.1818 72 G 3.9500 8.3004 109.2068 47.1046 0.0000 174.3990 73 I 4.5413 7.5483 117.2004 59.0082 40.4075 176.0496 74 R 4.4535 8.5018 122.2948 55.9041 30.9514 174.9358 75 Y 6.0628 8.0606 119.1860 55.5816 41.2418 173.8429 76 R 4.6957 8.6223 116.1991 54.5656 33.8564 174.0746 77 I 4.5372 8.2407 120.7132 60.6964 37.3257 175.9008 78 M 4.2245 8.6602 127.4715 57.9264 32.5469 177.1731 79 I 4.4006 7.4128 119.2159 59.4427 39.6665 176.2736 80 E 3.8918 9.0330 128.3637 58.5752 29.7701 175.8444 81 D 4.9546 7.6221 117.9760 51.8024 42.5333 175.0568 82 V 3.4485 8.5288 127.2974 66.0548 31.4140 177.1958 83 Q 4.1248 8.2808 118.6955 59.4950 28.7519 178.4065 84 S 4.1357 8.3219 115.7805 61.3667 62.6802 176.7499 85 L 3.9647 7.5551 121.4861 57.8197 41.4215 178.9295 86 L 3.9413 7.8122 119.7371 58.6989 41.4609 178.8962 87 D 4.3703 8.3819 118.7272 57.1492 40.6827 178.7360 88 E 3.9589 7.9246 119.1923 59.3455 29.6277 178.3893 89 E 3.9289 8.3010 119.5208 59.9476 29.7577 179.0574 90 Q 4.0698 8.3523 117.7097 59.0555 28.8612 178.6576 91 E 4.0572 7.9166 119.6694 58.7544 29.6362 178.7487 92 Q 3.9476 8.1466 119.9579 59.4030 29.0062 177.5498 93 M 4.0405 7.8503 118.3244 58.6041 32.2098 178.3532 94 F 4.1979 8.2335 119.7212 61.3519 39.4416 177.0088 95 A 4.2041 8.0473 118.8801 54.1087 18.1239 178.4971 96 S 4.7485 7.8455 112.3104 57.2075 64.7212 173.6329 97 Q 4.4465 7.0824 120.9098 55.5920 29.7821 174.6947 98 S 4.4663 8.0895 114.8847 57.9252 65.5692 174.9842 99 R 4.1877 8.3904 118.6704 56.3587 30.1085 176.5123 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 K 8.31 4.27 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 5 E 8.47 3.58 0.00 1.71 1.12 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 2.25 2.30 0.00 6 D 8.66 4.61 0.00 2.46 2.38 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 7 F 8.87 4.59 0.00 3.16 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.94 3.76 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 0.64 0.00 0.00 0.95 0.00 0.00 9 G 9.00 3.91 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 0.00 0.00 0.00 10 H 8.16 4.66 0.00 3.27 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.53 4.81 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 12 V 8.21 4.35 1.64 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 0.27 0.00 0.00 -0.16 0.00 0.00 13 L 8.48 5.07 0.00 1.49 1.46 0.80 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.01 4.54 0.00 1.88 1.83 0.00 3.17 0.00 0.00 3.46 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 15 I 9.08 4.75 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 1.01 0.00 0.00 16 T 8.55 4.66 4.27 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 1.24 0.00 0.00 17 A 8.60 4.46 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 18 A 9.24 3.93 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 19 D 7.56 4.93 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 3.82 0.00 2.03 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 2.39 2.38 0.00 21 A 8.01 3.99 1.39 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 22 E 8.62 3.97 0.00 2.11 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 0.00 2.36 2.54 0.00 23 V 7.60 3.64 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.00 0.00 0.00 24 Q 8.21 4.06 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.77 0.00 25 T 7.85 4.39 4.28 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 1.10 0.00 0.00 26 V 7.72 3.94 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 1.03 0.00 0.00 1.11 0.00 0.00 27 K 7.88 4.01 0.00 2.10 1.86 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.40 7.81 28 E 8.27 4.29 0.00 2.29 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 2.38 2.34 0.00 29 L 7.42 4.17 0.00 1.33 1.71 -0.26 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.08 3.96 0.00 1.84 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 2.22 2.27 0.00 31 D 8.00 4.47 0.00 2.70 2.72 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 32 L 7.28 4.37 0.00 1.79 1.50 0.77 0.89 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 33 E 8.60 3.98 0.00 2.05 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 2.42 2.57 0.00 34 H 8.26 4.29 0.00 3.24 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34B L 7.52 3.85 0.00 1.65 1.62 0.68 0.75 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 34C Q 7.62 3.47 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 35 L 7.62 4.12 0.00 1.62 1.27 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.49 4.85 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.87 4.37 0.00 3.02 3.11 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 0.00 0.00 0.00 38 W 9.00 4.40 0.00 3.25 3.24 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 39 R 8.99 4.69 0.00 1.97 2.01 0.00 3.23 0.00 0.00 3.37 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 40 G 8.54 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 41 P 0.00 4.56 0.00 1.93 1.97 0.00 3.28 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.00 0.00 42 G 8.00 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 *47 Q 8.41 4.41 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 48 P 0.00 4.30 0.00 2.05 2.15 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 49 G 8.49 4.25 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 0.00 50 S 7.23 4.38 0.00 3.95 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 51 P 0.00 4.65 0.00 2.12 2.08 0.00 3.74 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 2.03 0.00 52 I 8.45 5.26 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.26 1.21 0.00 0.00 53 D 8.92 5.78 0.00 2.84 2.62 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 0.00 0.00 0.00 0.00 54 V 7.81 4.60 1.44 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 0.37 0.00 0.00 0.08 0.00 0.00 55 R 8.83 4.45 0.00 1.34 1.71 0.00 3.19 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 56 V 8.23 4.43 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 0.57 0.00 0.00 0.76 0.00 0.00 57 P 0.00 3.82 0.00 1.99 1.92 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 58 F 8.76 4.11 0.00 3.07 3.06 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 59 P 0.00 4.19 0.00 2.05 2.10 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.33 0.00 60 S 7.51 4.53 0.00 3.73 3.74 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 61 L 7.34 3.74 0.00 1.71 1.31 0.82 0.69 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 62 Q 7.66 3.86 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 63 A 7.80 4.00 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 V 7.77 3.42 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 0.90 0.00 0.00 0.82 0.00 0.00 65 K 7.74 3.49 0.00 1.97 1.83 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.97 1.28 7.81 66 V 8.14 3.64 2.12 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 0.88 0.00 0.00 0.95 0.00 0.00 67 F 7.77 4.03 0.00 3.18 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 68 L 8.33 4.23 0.00 2.10 1.92 1.10 0.86 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 69 E 9.10 4.02 0.00 2.03 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 0.00 2.56 2.73 0.00 70 A 8.26 4.14 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 71 H 8.08 4.49 0.00 3.10 3.27 0.00 6.01 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.30 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 73 I 7.55 4.54 1.98 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 1.69 0.95 1.02 0.00 0.00 74 R 8.50 4.45 0.00 1.84 2.01 0.00 2.94 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 75 Y 8.06 6.06 0.00 2.92 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 76 R 8.62 4.70 0.00 1.84 1.97 0.00 2.94 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 77 I 8.24 4.54 1.90 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 1.43 0.74 0.95 0.00 0.00 78 M 8.66 4.22 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 79 I 7.41 4.40 1.69 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 1.22 0.72 0.87 0.00 0.00 80 E 9.03 3.89 0.00 1.93 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 2.30 2.31 0.00 81 D 7.62 4.95 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 3.45 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 0.77 0.00 0.00 0.78 0.00 0.00 83 Q 8.28 4.12 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 84 S 8.32 4.14 0.00 4.09 3.91 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 85 L 7.56 3.96 0.00 1.94 1.75 0.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.81 3.94 0.00 1.94 1.89 1.09 1.28 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 87 D 8.38 4.37 0.00 2.97 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.92 3.96 0.00 2.18 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 2.34 2.32 0.00 89 E 8.30 3.93 0.00 2.04 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 2.34 2.40 0.00 90 Q 8.35 4.07 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 91 E 7.92 4.06 0.00 2.31 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 2.27 2.44 0.00 92 Q 8.15 3.95 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 93 M 7.85 4.04 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.59 0.00 94 F 8.23 4.20 0.00 3.10 3.02 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 0.00 0.00 0.00 95 A 8.05 4.20 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.85 4.75 0.00 4.01 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 0.00 97 Q 7.08 4.45 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 98 S 8.09 4.47 0.00 3.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.39 4.19 0.00 1.78 1.84 0.00 3.38 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.