NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4653 8.0276 120.6292 54.6234 41.9053 175.2039 2 K 4.2297 7.7332 121.4069 55.7271 36.2644 176.1590 3 G 4.1231 9.2427 107.4886 45.3585 0.0000 173.2315 4 L 4.5110 8.3712 119.5409 55.2992 42.2052 178.0053 5 R 4.6856 9.5459 122.3512 56.0838 33.3137 176.0616 6 R 5.7142 7.6650 117.0652 53.8419 34.0802 173.9697 7 L 5.2866 8.4798 123.5822 53.0354 46.5788 175.2438 8 V 4.8063 8.8442 122.7474 61.2261 34.1355 174.0554 9 L 5.2195 9.1261 128.3804 52.9920 45.0378 175.2706 10 D 5.1039 8.9247 123.3415 53.1681 42.2969 175.1003 11 V 4.9086 8.6180 126.3572 60.8839 34.9647 173.7689 12 L 5.1913 8.4999 128.6411 53.1389 44.7608 175.1685 13 K 5.0058 8.4605 123.5602 54.7221 36.7087 173.7991 14 P 4.8302 0.0000 0.0000 62.5485 32.4724 176.6641 15 H 4.3901 7.9892 116.4212 58.2132 28.8393 175.8653 16 E 4.7236 7.5287 116.6834 53.6106 31.7359 174.2818 17 P 4.7036 0.0000 0.0000 61.4631 33.1963 175.8015 18 K 4.2340 8.3439 117.3536 56.1566 32.6374 178.4967 19 T 3.8911 8.5055 112.4793 65.1475 68.1243 176.0861 20 I 3.6230 7.9065 120.8483 64.0900 37.7657 177.5518 21 V 3.8047 8.4004 119.0995 65.2922 31.3600 177.9645 22 F 3.8712 8.4285 117.1016 60.4448 38.8968 176.9319 23 A 4.0417 8.5087 120.5324 55.3615 17.9326 179.4816 24 L 3.8999 7.5257 117.4409 58.1844 42.4225 179.1537 25 K 4.0853 8.3872 118.7359 59.5589 32.0739 179.2264 26 L 3.9546 8.1049 119.7091 57.9732 41.3616 179.8158 27 S 4.2760 8.1369 112.6565 60.6695 62.9367 175.3059 28 E 4.3571 7.9359 120.7045 55.5248 29.9472 176.3894 29 L 4.1904 7.5278 120.5369 54.4538 41.7593 177.0595 30 E 3.5610 7.7150 116.8820 59.5469 30.4987 177.2787 31 N 4.8117 7.9408 114.4502 53.2895 38.6260 174.5784 32 V 4.6868 7.3320 118.6959 62.4579 33.4487 174.8806 33 D 4.6382 9.0300 127.1560 56.2543 42.5004 176.3947 34 G 4.3408 7.5190 102.6982 45.7380 0.0000 172.6984 35 V 5.0846 8.3842 119.6522 61.0165 34.8336 173.7072 36 N 4.9760 9.6763 126.7225 51.9609 41.2981 172.8237 37 I 4.8724 8.4835 127.1540 59.8670 39.4404 174.3842 38 H 4.8771 9.3994 127.6783 54.1639 32.2904 172.9068 39 L 4.3185 8.1548 127.8466 54.7694 41.9892 176.2517 40 S 4.3550 8.9756 123.9296 60.7083 63.0423 174.1517 41 E 4.7177 7.7851 118.8586 54.9991 33.0971 172.9290 42 I 4.7453 8.3272 124.9732 59.3151 40.5637 174.6342 43 D 5.1408 8.9792 129.5568 52.6950 43.3038 175.6485 44 Q 4.1283 8.7972 116.4916 59.4816 28.6919 176.7305 45 A 4.6719 7.8916 117.2841 51.2352 20.8506 174.3192 46 T 4.8280 7.2757 105.2179 60.5963 73.1728 172.1491 47 E 5.0134 8.5622 116.5313 55.6084 33.2985 173.8548 48 N 5.3598 9.4079 120.6131 51.9682 40.6356 174.2028 49 I 4.9601 8.7758 116.7693 58.8544 41.8962 174.2114 50 K 4.9709 9.3284 125.0900 55.0099 34.3647 174.6776 51 I 4.8339 8.6293 129.3714 60.1536 39.3502 174.8952 52 T 5.0271 9.2597 124.7519 61.9393 70.9642 173.3909 53 I 4.8321 8.7459 128.2969 59.4565 39.7348 174.4742 54 L 5.0110 8.3963 129.7020 53.2955 44.1046 176.2450 55 G 4.1845 8.1392 111.9882 46.0208 0.0000 171.0954 56 N 4.9425 8.2650 119.1297 52.9956 41.9534 175.1168 57 N 4.2898 8.7338 123.0975 53.4647 37.1624 173.2704 58 L 4.0884 8.3222 118.6995 54.6136 43.2556 177.5682 59 D 4.7567 8.4008 121.2732 52.9553 42.2520 176.6042 60 Y 4.0648 8.5273 128.6834 60.8975 39.0126 177.4218 61 E 3.8530 8.3337 119.0857 59.1752 29.5567 179.0193 62 Q 3.8315 8.0926 119.0909 59.2362 29.3125 177.9564 63 I 3.5947 7.4395 120.5240 64.4353 37.1887 178.3441 64 K 3.8136 8.0217 120.7262 59.1521 31.8016 179.1451 65 G 3.4632 7.8180 106.1386 47.8342 0.0000 175.9154 66 V 3.5329 7.5431 119.8045 65.5014 31.6681 177.9712 67 I 3.7405 7.6647 119.6395 64.3777 36.8086 178.2623 68 E 4.8738 7.9081 119.5091 58.5652 29.6763 179.1494 69 D 4.6369 8.5228 120.2676 54.0817 40.7251 177.6553 *71 G 3.9392 8.1632 109.0352 45.1964 0.0000 173.9377 72 G 4.3035 7.9067 107.2880 45.7169 0.0000 173.1153 73 V 4.9222 8.6774 118.9200 59.7459 35.1940 174.9547 74 I 4.5512 8.4044 123.9754 61.1312 36.8426 175.4836 75 H 4.7009 9.4417 126.7148 58.4183 29.4269 176.1302 76 S 4.5810 7.7101 109.5843 57.6944 65.6185 176.0309 77 V 4.3599 8.4649 122.0956 62.0438 31.0637 175.2101 78 D 4.6264 9.1931 130.1362 57.0141 41.5525 176.8306 79 E 4.7666 7.8709 117.1475 54.8681 33.3761 174.1555 80 V 4.8329 8.2670 124.3811 61.1919 34.8487 174.3302 81 V 4.5178 9.0685 127.6472 61.0661 33.8992 174.0861 82 A 5.0551 8.7925 128.4008 51.1097 22.4329 174.2891 83 G 3.7367 8.2938 104.0517 44.3794 0.0000 173.6299 84 K 4.4283 8.4561 116.0298 56.5753 32.7735 177.0231 85 I 4.4094 7.3975 118.9271 58.8735 39.4475 174.9869 86 I 3.7147 8.4386 126.0117 61.6509 36.6995 175.3526 87 V 4.2497 8.1513 125.7344 61.0337 32.7828 175.2352 88 E 4.4338 8.4432 126.4186 55.0400 30.7567 176.0556 89 S 4.1379 8.3420 116.1627 58.2047 63.0572 173.7762 90 V 3.9382 8.3201 129.8671 62.4058 31.7733 176.1609 91 E 4.2010 8.7140 122.4374 56.2095 29.6603 172.8532 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 1 L 8.03 4.47 0.00 1.73 1.71 0.98 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 2 K 7.73 4.23 0.00 1.96 1.86 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.50 7.81 3 G 9.24 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.37 4.51 0.00 1.83 1.64 1.00 0.82 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 5 R 9.55 4.69 0.00 1.66 1.93 0.00 3.50 0.00 0.00 3.20 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 6 R 7.66 5.71 0.00 1.83 1.70 0.00 3.17 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 7 L 8.48 5.29 0.00 1.64 1.55 1.14 0.78 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 8 V 8.84 4.81 2.18 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 1.06 0.00 0.00 0.94 0.00 0.00 9 L 9.13 5.22 0.00 1.63 1.59 1.02 0.85 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 10 D 8.92 5.10 0.00 2.79 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 11 V 8.62 4.91 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 1.08 0.00 0.00 0.99 0.00 0.00 12 L 8.50 5.19 0.00 1.44 1.20 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.46 5.01 0.00 1.85 1.75 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.25 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.08 1.19 7.81 14 P 0.00 4.83 0.00 2.13 2.21 0.00 3.77 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 2.33 2.02 0.00 15 H 7.99 4.39 0.00 3.22 3.40 0.00 5.60 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 16 E 7.53 4.72 0.00 2.01 1.86 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 2.25 2.28 0.00 17 P 0.00 4.70 0.00 2.30 2.15 0.00 3.99 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 2.32 2.04 0.00 18 K 8.34 4.23 0.00 1.88 1.78 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.45 7.81 19 T 8.51 3.89 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 1.04 0.00 0.00 20 I 7.91 3.62 1.89 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 1.54 1.22 0.95 0.00 0.00 21 V 8.40 3.80 2.34 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 1.04 0.00 0.00 0.98 0.00 0.00 22 F 8.43 3.87 0.00 3.29 3.14 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 23 A 8.51 4.04 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 24 L 7.53 3.90 0.00 1.75 1.90 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.39 4.09 0.00 1.66 1.75 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.74 1.50 7.81 26 L 8.10 3.95 0.00 1.78 1.74 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.14 4.28 0.00 4.03 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 0.00 28 E 7.94 4.36 0.00 2.11 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 2.30 2.33 0.00 29 L 7.53 4.19 0.00 1.78 1.57 0.89 0.83 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 30 E 7.71 3.56 0.00 1.96 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 2.31 2.30 0.00 31 N 7.94 4.81 0.00 3.11 3.02 0.00 0.00 5.48 7.68 0.00 0.00 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 V 7.33 4.69 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 0.90 0.00 0.00 0.94 0.00 0.00 33 D 9.03 4.64 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.52 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 35 V 8.38 5.08 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 0.90 0.00 0.00 0.98 0.00 0.00 36 N 9.68 4.98 0.00 2.74 2.65 0.00 0.00 6.69 7.80 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 37 I 8.48 4.87 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.87 0.00 0.00 38 H 9.40 4.88 0.00 3.18 3.15 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.15 4.32 0.00 1.59 1.45 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.98 4.36 0.00 3.93 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 41 E 7.79 4.72 0.00 1.99 1.71 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 2.27 2.30 0.00 42 I 8.33 4.75 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.89 0.00 0.00 43 D 8.98 5.14 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.80 4.13 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 45 A 7.89 4.67 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 46 T 7.28 4.83 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 1.15 0.00 0.00 47 E 8.56 5.01 0.00 2.13 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 2.26 2.16 0.00 48 N 9.41 5.36 0.00 2.59 2.75 0.00 0.00 6.47 7.31 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 49 I 8.78 4.96 1.79 0.00 0.00 0.56 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 0.89 0.76 0.00 0.00 50 K 9.33 4.97 0.00 1.88 1.75 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 51 I 8.63 4.83 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 0.97 0.00 0.00 52 T 9.26 5.03 4.26 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 1.23 0.00 0.00 53 I 8.75 4.83 1.91 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 1.15 0.72 0.93 0.00 0.00 54 L 8.40 5.01 0.00 1.78 1.50 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.14 4.18 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 0.00 0.00 0.00 56 N 8.26 4.94 0.00 2.67 2.65 0.00 0.00 7.16 7.27 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 57 N 8.73 4.29 0.00 3.04 2.74 0.00 0.00 7.71 6.66 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 58 L 8.32 4.09 0.00 1.68 1.62 0.98 0.99 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 59 D 8.40 4.76 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 4.06 0.00 3.12 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 61 E 8.33 3.85 0.00 2.16 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 2.49 2.35 0.00 62 Q 8.09 3.83 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 63 I 7.44 3.59 1.85 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 1.38 0.72 0.86 0.00 0.00 64 K 8.02 3.81 0.00 0.98 1.60 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.31 7.81 65 G 7.82 3.46 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 0.00 66 V 7.54 3.53 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 0.73 0.00 0.00 0.89 0.00 0.00 67 I 7.66 3.74 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 1.54 1.15 1.06 0.00 0.00 68 E 7.91 4.87 0.00 1.91 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 2.27 0.00 69 D 8.52 4.64 0.00 2.65 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 *71 G 8.16 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 72 G 7.91 4.30 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 0.00 73 V 8.68 4.92 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 0.84 0.00 0.00 1.00 0.00 0.00 74 I 8.40 4.55 1.97 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 1.41 0.59 1.06 0.00 0.00 75 H 9.44 4.70 0.00 3.14 3.35 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.71 4.58 0.00 3.85 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 77 V 8.46 4.36 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 0.77 0.00 0.00 0.85 0.00 0.00 78 D 9.19 4.63 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 79 E 7.87 4.77 0.00 2.00 1.73 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 2.28 2.30 0.00 80 V 8.27 4.83 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 0.81 0.00 0.00 0.88 0.00 0.00 81 V 9.07 4.52 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.00 0.00 0.00 82 A 8.79 5.06 1.18 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 0.00 0.00 83 G 8.29 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 0.00 0.00 0.00 84 K 8.46 4.43 0.00 1.76 1.87 0.00 1.74 0.00 0.00 0.95 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.41 7.81 85 I 7.40 4.41 1.87 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 0.61 0.91 0.00 0.00 86 I 8.44 3.71 1.87 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 1.30 0.74 0.91 0.00 0.00 87 V 8.15 4.25 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 1.00 0.00 0.00 88 E 8.44 4.43 0.00 1.99 1.85 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 0.00 2.28 2.23 0.00 89 S 8.34 4.14 0.00 3.82 3.76 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 0.00 0.00 0.00 0.00 90 V 8.32 3.94 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 91 E 8.71 4.20 0.00 2.03 1.70 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.