NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.6370 8.3149 122.0577 56.7194 33.6503 174.8303 4 T 4.5553 8.7105 122.5648 60.9968 72.9261 167.8732 5 V 4.1507 9.3418 127.5859 62.5926 32.7311 174.5921 6 I 4.5554 8.5769 128.6099 60.0560 39.3065 174.8632 7 T 4.9927 8.4329 122.6408 61.9203 72.4172 173.1363 8 S 4.7008 9.8751 121.6444 56.4600 64.2491 173.8127 9 D 4.6792 8.7683 125.7652 53.8930 39.4074 176.7009 10 K 4.3297 7.9572 118.1953 56.4322 33.0778 175.9872 11 A 4.7658 7.2990 121.5174 49.2463 21.0574 175.0254 12 P 4.2804 0.0000 0.0000 62.3108 31.9160 176.7914 13 A 3.8693 8.5644 125.2150 52.4379 18.7600 177.2057 14 A 4.0810 8.1708 124.2457 50.4377 18.1261 177.2145 15 I 4.1139 8.5644 123.8276 62.6095 37.9167 174.8325 16 G 3.8962 8.4946 111.7239 43.2790 0.0000 171.1472 17 P 4.6677 0.0000 0.0000 61.2639 30.2628 174.1149 18 Y 4.9212 7.1784 116.6066 56.6401 41.5210 174.3167 19 S 4.6518 8.2877 115.5370 56.3850 66.0823 174.6630 20 Q 4.2187 8.6584 121.3507 59.2452 28.9225 176.6978 21 A 4.9168 7.4610 116.4032 51.1113 23.4931 175.4125 22 I 5.0096 9.0698 120.3116 59.4303 41.0308 174.5135 23 K 4.9291 9.1139 128.6617 54.8059 34.1627 174.7146 24 A 4.8173 9.2646 129.8418 49.7441 21.4008 175.6545 25 G 3.7087 8.9387 112.9251 47.8420 0.0000 174.4005 26 N 4.6541 8.7407 121.9135 53.5190 39.1751 173.7260 27 T 4.8977 7.9434 116.9591 61.6777 71.1246 173.4519 28 V 4.7505 8.8518 127.0912 61.5958 33.5660 174.8423 29 Y 4.6538 9.3014 126.1805 56.7869 40.3903 175.0289 *31 S 4.5006 8.4046 115.8370 58.0267 64.0799 174.4963 32 G 3.8721 8.4533 110.7604 45.3760 0.0000 173.0027 33 Q 4.6926 8.6070 121.3708 53.7079 31.4855 175.0539 34 I 4.6273 7.8327 114.1209 58.2778 40.5720 174.7725 35 P 4.7244 0.0000 0.0000 62.1853 30.3908 176.6250 36 L 4.6214 8.1423 118.9640 54.1849 42.0544 176.7686 37 D 4.5289 8.9869 123.7525 53.1575 41.2774 175.1889 38 P 4.3715 0.0000 0.0000 65.5205 31.5934 178.0054 39 S 4.3341 8.2666 112.4701 59.9826 63.7002 174.3478 40 T 4.0208 7.4334 108.1137 62.1211 69.8126 174.3541 *42 E 4.2156 8.2813 117.0801 55.1789 32.2393 175.8298 43 L 4.6177 8.3867 122.1562 54.8897 42.3819 177.5677 44 V 4.0015 8.3847 116.5484 61.3032 32.4997 175.5219 45 E 4.5660 8.8646 121.7651 55.6992 31.8196 176.4540 46 G 3.9610 8.6357 109.1140 46.1430 0.0000 174.2908 47 I 3.5679 8.4151 122.5609 64.1365 37.9458 178.1491 48 E 3.9786 8.1498 118.6694 59.3227 29.3108 179.0074 49 A 4.0530 7.9525 120.3781 55.2420 18.5501 179.5618 50 Q 3.9425 8.3697 116.7928 59.0989 28.8315 179.0549 51 I 3.5786 7.9835 120.9452 64.6580 37.0823 178.5945 52 T 4.1075 8.1428 116.6080 66.8325 68.2750 176.4970 53 Q 3.9903 8.5062 121.8437 59.0874 28.9650 178.4424 54 V 3.5719 7.7029 119.3470 65.9457 31.4657 178.0883 55 F 4.4772 7.8086 117.4422 60.6510 38.6566 177.5318 56 E 4.0280 8.5952 118.6350 59.4516 29.3211 179.2043 57 N 4.4109 8.6755 116.9952 56.3502 38.6493 177.5416 58 L 4.1658 8.4735 120.8306 57.5458 41.6453 179.3633 59 K 3.7155 8.6793 120.0757 59.6137 32.1969 178.9257 60 S 4.1047 8.1671 115.3024 61.6772 62.6329 176.9715 61 V 3.6293 7.8681 120.4445 65.9431 31.3225 177.8909 62 A 4.0980 8.7018 120.9309 55.4008 18.3034 179.6631 63 Q 4.3463 8.7752 117.9955 58.5225 28.5606 178.6918 64 A 4.1486 7.8916 120.0083 54.1158 18.5430 178.4666 65 A 4.3877 7.5391 117.5664 51.9948 18.8925 177.8328 66 G 3.8790 8.4715 105.5823 45.7224 0.0000 174.0364 67 G 4.0546 8.0383 109.1820 44.7760 0.0000 171.2901 68 S 4.7593 8.6574 113.1390 57.4475 66.0766 174.7963 69 F 4.4144 8.7768 117.7049 60.4884 38.6311 178.0014 70 K 4.1431 7.7342 119.0771 59.0080 31.9897 177.4588 71 D 4.6648 8.3079 117.4612 54.4011 41.2580 176.1250 72 I 4.3106 7.6181 121.9477 61.5244 37.4743 176.0674 73 V 4.2543 8.6724 118.7348 61.9504 33.7152 175.9236 74 K 4.9954 7.7243 121.0767 54.7427 35.9415 174.4334 75 L 5.0794 8.8071 128.4199 53.3293 45.3822 174.4295 76 N 5.1228 8.8746 123.7484 51.4918 40.6724 174.1333 77 I 4.1166 8.1670 124.7875 59.3764 39.9087 174.4980 78 F 5.3641 8.8147 126.3229 55.6897 41.5341 174.5480 79 L 5.4001 8.6492 123.7634 53.1362 44.7176 177.9154 80 T 4.4497 8.4776 113.0524 62.9434 70.0857 174.2076 81 D 4.5959 7.9311 120.8206 51.5312 42.9536 175.4855 82 L 4.3390 8.5097 127.3821 56.4395 41.4897 179.0533 83 G 3.6984 8.6228 106.0367 47.1475 0.0000 174.3791 84 H 4.8404 7.9713 117.4189 56.0244 28.8410 176.7647 85 F 4.5128 8.5945 125.3302 61.3374 39.1461 176.7630 86 A 3.7903 8.0952 119.9958 55.1479 18.0743 179.3826 87 K 3.8911 8.0349 117.5511 59.3989 32.0934 179.0826 88 V 3.6779 7.3891 117.4093 66.0473 31.5777 177.2656 89 N 4.2649 7.7485 114.9743 56.2922 38.4458 176.6642 90 E 4.1041 8.0492 119.0930 59.2161 30.1618 181.1286 91 I 4.1143 8.0869 120.4382 61.2462 37.0265 178.2151 *93 G 3.9756 8.1617 110.3725 45.3211 0.0000 174.8686 94 S 4.3460 7.9576 113.0554 59.6201 63.5750 174.5159 95 Y 4.2270 7.9196 116.8834 57.9724 38.8766 175.2780 96 F 5.0830 8.1619 116.8887 55.5763 42.7361 173.9811 97 S 4.7982 8.3835 115.9221 56.0484 66.0241 173.8409 98 Q 3.3302 7.6280 119.4787 55.1289 28.7135 174.5342 99 P 4.2006 0.0000 0.0000 62.8008 32.0281 175.8424 100 Y 4.4745 8.1188 120.4817 56.8081 38.7173 173.4118 101 P 4.6607 0.0000 0.0000 62.3486 32.8372 175.6325 102 A 4.4711 8.7474 122.4665 52.2240 19.6610 176.6358 103 R 5.5559 8.3467 113.9243 55.8056 32.5111 173.8147 104 A 4.8727 8.3268 119.8832 50.3691 23.1828 175.0157 105 A 4.8477 8.1875 120.6934 50.6272 22.0324 175.8080 106 I 4.5170 8.6828 115.8794 58.9746 41.7808 174.7075 107 G 4.1014 8.5930 110.9463 45.4993 0.0000 173.6996 108 V 4.4801 8.7973 119.7016 59.5986 33.9068 177.4387 109 A 3.9407 8.6279 124.8465 55.0836 18.6359 177.7163 110 A 4.5496 7.2606 114.7672 51.5161 22.1380 175.1213 111 L 4.8377 7.9063 118.4560 51.7457 45.6796 174.7968 112 P 4.3125 0.0000 0.0000 64.4305 31.6488 177.5694 113 R 3.7221 9.4692 118.6711 56.6098 27.9470 177.0662 114 G 3.8410 8.1410 105.1982 45.3950 0.0000 174.0003 115 A 4.1451 7.5724 121.8212 52.4020 18.8694 178.4834 116 Q 4.5313 9.0563 119.2635 57.2217 30.1641 176.1942 117 V 4.9081 7.5181 116.8229 60.3704 34.4044 173.6424 118 E 5.2356 9.2666 122.4492 54.5003 34.0538 172.9758 *120 D 4.5841 8.4975 119.3949 53.7288 41.1832 173.8450 121 A 5.0990 8.2567 118.4731 51.1120 22.4734 175.4964 122 I 4.6189 8.7211 119.8308 59.4460 40.6371 174.8908 123 L 5.1083 8.6223 126.2021 52.8411 44.8041 175.6227 124 V 4.6508 8.4732 123.0595 61.1378 33.4101 174.9696 125 I 3.9368 9.4438 130.5553 62.2229 37.7339 176.3199 126 E 4.0915 8.0299 125.8742 55.9438 28.8579 176.2769 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 3 K 8.31 4.64 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.52 7.81 4 T 8.71 4.56 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 1.23 0.00 0.00 5 V 9.34 4.15 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 0.77 0.00 0.00 0.94 0.00 0.00 6 I 8.58 4.56 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 1.27 1.09 1.01 0.00 0.00 7 T 8.43 4.99 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 1.20 0.00 0.00 8 S 9.88 4.70 0.00 3.89 3.71 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 9 D 8.77 4.68 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.33 0.00 1.78 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.50 7.81 11 A 7.30 4.77 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 12 P 0.00 4.28 0.00 2.11 2.05 0.00 3.85 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 2.07 2.23 0.00 13 A 8.56 3.87 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 14 A 8.17 4.08 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.56 4.11 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 0.94 0.00 0.00 16 G 8.49 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.67 0.00 2.24 2.15 0.00 3.91 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 2.05 1.99 0.00 18 Y 7.18 4.92 0.00 3.19 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 19 S 8.29 4.65 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.66 4.22 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 21 A 7.46 4.92 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 22 I 9.07 5.01 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.20 0.98 0.00 0.00 23 K 9.11 4.93 0.00 1.86 1.71 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 24 A 9.26 4.82 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.94 3.71 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 0.00 0.00 0.00 26 N 8.74 4.65 0.00 2.85 2.85 0.00 0.00 6.71 7.05 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 27 T 7.94 4.90 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 0.62 0.00 0.00 28 V 8.85 4.75 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 1.05 0.00 0.00 0.94 0.00 0.00 29 Y 9.30 4.65 0.00 2.94 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 *31 S 8.40 4.50 0.00 4.16 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 32 G 8.45 3.87 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 0.00 0.00 0.00 33 Q 8.61 4.69 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 34 I 7.83 4.63 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 1.42 0.99 0.90 0.00 0.00 35 P 0.00 4.72 0.00 2.12 2.23 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 36 L 8.14 4.62 0.00 1.61 1.62 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.99 4.53 0.00 2.68 2.64 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 0.00 0.00 0.00 0.00 38 P 0.00 4.37 0.00 2.09 2.02 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 39 S 8.27 4.33 0.00 4.01 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 40 T 7.43 4.02 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 1.22 0.00 0.00 *42 E 8.28 4.22 0.00 1.98 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 2.30 2.53 0.00 43 L 8.39 4.62 0.00 1.54 1.60 0.98 0.94 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 44 V 8.38 4.00 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 0.71 0.00 0.00 0.97 0.00 0.00 45 E 8.86 4.57 0.00 1.94 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 2.23 2.28 0.00 46 G 8.64 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.42 3.57 1.66 0.00 0.00 0.75 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 1.32 0.86 0.00 0.00 48 E 8.15 3.98 0.00 2.12 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 2.43 2.47 0.00 49 A 7.95 4.05 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 50 Q 8.37 3.94 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 51 I 7.98 3.58 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.09 0.99 0.00 0.00 52 T 8.14 4.11 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 Q 8.51 3.99 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 54 V 7.70 3.57 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 55 F 7.81 4.48 0.00 2.75 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 0.00 0.00 0.00 56 E 8.60 4.03 0.00 2.17 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 0.00 2.68 2.61 0.00 57 N 8.68 4.41 0.00 2.92 3.08 0.00 0.00 7.03 6.37 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 58 L 8.47 4.17 0.00 2.23 2.00 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.68 3.72 0.00 1.37 1.83 0.00 1.42 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 0.77 7.81 60 S 8.17 4.10 0.00 4.08 3.92 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 61 V 7.87 3.63 2.31 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 1.08 0.00 0.00 1.03 0.00 0.00 62 A 8.70 4.10 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.78 4.35 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 64 A 7.89 4.15 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 65 A 7.54 4.39 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 66 G 8.47 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 67 G 8.04 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 68 S 8.66 4.76 0.00 3.95 3.96 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 0.00 0.00 0.00 69 F 8.78 4.41 0.00 2.78 2.44 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 0.00 0.00 0.00 0.00 70 K 7.73 4.14 0.00 1.79 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.43 7.81 71 D 8.31 4.66 0.00 2.84 2.93 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 72 I 7.62 4.31 2.22 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 1.33 0.54 0.98 0.00 0.00 73 V 8.67 4.25 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 0.70 0.00 0.00 0.94 0.00 0.00 74 K 7.72 5.00 0.00 1.80 1.56 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.46 7.81 75 L 8.81 5.08 0.00 1.62 1.28 0.99 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.87 5.12 0.00 2.59 1.99 0.00 0.00 6.91 8.22 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 77 I 8.17 4.12 1.76 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.70 0.90 0.00 0.00 78 F 8.81 5.36 0.00 2.99 2.85 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 0.00 0.00 0.00 79 L 8.65 5.40 0.00 1.56 1.54 1.03 0.63 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 80 T 8.48 4.45 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 1.22 0.00 0.00 81 D 7.93 4.60 0.00 2.62 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 L 8.51 4.34 0.00 1.69 1.65 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.62 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 0.00 0.00 0.00 84 H 7.97 4.84 0.00 3.42 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.59 4.51 0.00 3.13 3.07 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 86 A 8.10 3.79 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.03 3.89 0.00 1.92 2.02 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.61 7.81 88 V 7.39 3.68 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 1.03 0.00 0.00 1.09 0.00 0.00 89 N 7.75 4.26 0.00 2.67 2.67 0.00 0.00 7.05 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 90 E 8.05 4.10 0.00 1.93 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 0.00 2.35 2.35 0.00 91 I 8.09 4.11 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.61 1.34 0.00 0.00 *93 G 8.16 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 94 S 7.96 4.35 0.00 3.87 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 95 Y 7.92 4.23 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.16 5.08 0.00 3.15 3.20 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 97 S 8.38 4.80 0.00 3.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.63 3.33 0.00 1.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 99 P 0.00 4.20 0.00 2.17 2.06 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 100 Y 8.12 4.47 0.00 3.00 2.79 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 0.00 101 P 0.00 4.66 0.00 1.96 2.25 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.37 0.00 102 A 8.75 4.47 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.35 5.56 0.00 1.87 1.75 0.00 2.60 0.00 0.00 3.79 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 104 A 8.33 4.87 1.14 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 0.00 0.00 105 A 8.19 4.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.68 4.52 1.88 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.89 0.00 0.00 107 G 8.59 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.80 4.48 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 0.77 0.00 0.00 0.98 0.00 0.00 109 A 8.63 3.94 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 0.00 110 A 7.26 4.55 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 0.00 111 L 7.91 4.84 0.00 1.89 1.50 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.31 0.00 2.12 1.93 0.00 3.73 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 2.02 2.03 0.00 113 R 9.47 3.72 0.00 1.96 2.05 0.00 3.24 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 114 G 8.14 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 0.00 0.00 0.00 115 A 7.57 4.15 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 0.00 116 Q 9.06 4.53 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 117 V 7.52 4.91 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 0.62 0.00 0.00 0.87 0.00 0.00 118 E 9.27 5.24 0.00 2.07 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 2.41 2.31 0.00 *120 D 8.50 4.58 0.00 2.96 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 0.00 121 A 8.26 5.10 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 0.00 122 I 8.72 4.62 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.74 0.59 0.00 0.00 123 L 8.62 5.11 0.00 1.61 1.52 0.99 0.54 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 0.00 124 V 8.47 4.65 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 0.77 0.00 0.00 0.88 0.00 0.00 125 I 9.44 3.94 1.88 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 1.23 0.95 0.92 0.00 0.00 126 E 8.03 4.09 0.00 2.02 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 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.