NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6554 0.0000 0.0000 62.8387 33.9752 174.2670 *3 C 4.6389 8.3298 118.8205 59.5279 32.5287 172.1220 4 E 4.9814 8.8390 125.4458 54.2932 32.1232 174.7758 5 L 4.5634 8.9863 126.2946 53.6788 43.6920 174.8856 6 I 4.8314 8.5228 128.9329 59.9097 39.2044 174.9919 7 T 5.0217 8.6784 121.0816 60.6102 71.1223 173.2070 8 N 5.1008 8.5561 123.6315 52.8803 38.2724 174.4603 9 I 4.4801 7.7976 121.0292 60.1546 38.5439 175.0318 10 S 4.2312 8.6963 120.4672 56.9028 63.1240 172.9871 11 I 4.6328 7.5644 119.5334 57.5035 40.7532 173.6057 12 P 4.3759 0.0000 0.0000 61.9836 33.1438 177.2161 13 D 4.2523 8.5621 119.9548 57.8993 40.7317 179.2181 14 D 4.2991 7.9140 118.8503 56.3495 39.4914 178.6288 15 K 3.9702 7.9268 119.2595 58.9556 32.0781 178.9295 16 A 3.7529 8.0420 121.4189 55.2020 18.1297 179.6842 17 Q 3.9317 8.2642 116.7526 59.1854 28.7875 178.8002 18 N 4.3273 8.1825 117.4264 56.6349 38.6047 177.6482 19 T 3.7623 8.1078 117.1027 66.6491 68.4999 176.8397 20 L 4.0090 8.1205 120.9703 57.6400 41.5200 179.2877 21 S 4.0732 8.3426 113.4657 61.7494 62.2984 176.3217 22 E 3.9550 8.3036 120.9769 59.2993 29.0546 179.4737 23 I 3.6930 7.8516 119.9883 64.3064 37.1340 178.1470 24 E 3.9328 8.4338 119.7568 59.6411 29.2600 179.1316 25 D 4.3386 8.3907 118.7657 57.4162 40.8029 178.8801 26 A 4.0130 8.0627 121.1740 55.0438 18.3663 179.6616 27 I 3.6402 7.9681 118.5747 64.5591 37.2055 178.6158 28 S 4.2819 8.1398 115.1477 60.8595 62.0679 175.5879 29 N 4.2623 8.2216 118.6367 56.9962 38.8245 176.5864 30 I 3.9568 7.8183 119.8163 63.7123 37.3882 177.5159 31 L 4.3640 8.0868 117.3783 53.6934 42.4621 176.5183 32 G 3.9707 8.0758 107.4237 45.4358 0.0000 173.1380 33 K 4.4273 7.2095 114.8297 55.0234 35.2730 173.2984 34 P 4.4646 0.0000 0.0000 62.7190 32.1839 176.6514 35 V 4.4597 7.8317 110.5304 60.6300 32.2139 178.1847 36 A 3.7903 8.1492 124.1608 54.9187 18.4848 178.6923 37 Y 4.5246 7.6204 109.8272 57.5469 38.5932 175.5098 38 I 4.0554 7.4340 121.5330 61.1603 38.6014 174.8324 39 M 4.7933 8.7455 128.0016 54.0564 33.4301 175.5267 40 S 5.4155 8.2466 115.5542 56.1686 66.9979 172.3827 41 N 4.7576 8.3428 116.3437 52.9515 42.2776 172.5634 42 Y 4.8346 8.7837 126.3716 56.2322 40.3156 174.4709 43 D 4.8662 9.1729 128.9162 52.5686 42.6494 174.3192 44 Y 4.9414 8.7369 128.1531 57.5703 39.7487 175.0687 45 Q 4.1928 8.8120 126.2629 53.3433 30.1051 175.9588 46 K 3.5531 8.0126 125.1625 58.6664 32.5620 177.2620 47 N 4.8263 7.7630 113.4969 52.5423 38.8421 174.6138 48 L 4.0620 7.8257 122.4837 55.2506 42.6242 176.2020 49 R 4.9355 8.3033 123.7702 54.3462 33.5446 174.8198 50 F 4.5055 8.2238 121.5929 57.7217 42.2103 174.8813 51 S 2.9362 8.7656 122.8001 59.5334 60.0728 173.3186 52 G 3.8273 8.3265 105.4589 45.4862 0.0000 173.8974 53 S 4.5683 7.6792 113.8027 56.4438 65.1470 173.4858 54 N 5.0953 8.5817 123.5422 52.5171 38.7727 174.4138 55 E 4.1515 8.0124 117.5507 55.2719 30.2573 176.6673 56 G 3.9998 8.4718 110.8083 46.7460 0.0000 172.1890 57 Y 5.0914 9.0907 123.3866 56.6477 43.0579 172.9666 58 C 4.6891 8.2774 123.0395 57.6905 32.2272 172.5140 59 F 5.1413 8.8492 126.4379 56.3780 41.5528 173.9973 60 V 4.3533 8.6578 126.9506 60.9885 33.5163 174.0508 61 R 4.5174 8.1464 128.8740 54.3280 32.3957 174.1794 62 L 4.7480 8.5802 127.2071 53.3236 43.6124 175.4948 63 T 4.8401 8.2529 120.5601 61.9013 71.3266 174.7493 64 S 3.6309 8.5499 123.4476 59.5854 60.7558 172.5753 65 I 4.2180 7.6327 119.6796 60.1963 38.4075 176.7731 66 G 3.6934 8.4537 114.0584 46.7518 0.0000 173.9483 67 G 3.8914 8.8527 110.9149 44.6690 0.0000 173.4267 68 I 3.7495 7.6441 119.8172 61.1165 37.0880 174.7693 69 N 4.9857 8.2192 121.6104 50.8502 40.3452 175.4729 70 R 3.8767 8.5756 117.7523 59.6186 30.0802 178.2405 71 S 4.4450 7.9031 110.9170 59.2554 63.3950 174.0673 72 N 4.9552 8.5262 116.9083 52.1030 38.6020 176.5316 73 N 4.0592 7.9996 116.7108 56.0539 38.3727 177.0404 74 S 4.1525 7.8459 114.1162 61.4192 62.6694 176.0028 75 L 3.9754 7.8682 121.2334 57.5731 41.2782 179.2263 76 L 3.9602 8.1026 120.1573 58.1283 42.0476 178.6142 77 A 3.9897 8.6071 121.2325 55.2929 18.1844 179.1186 78 D 4.2274 8.3252 116.5198 57.4333 41.4034 178.3594 79 K 3.9071 8.1052 120.0543 59.5611 32.1833 178.7639 80 I 3.6516 7.9621 120.1140 64.6530 37.0227 178.2864 81 T 3.8483 8.0662 116.7876 66.7948 68.2333 176.6128 82 K 3.9708 8.2076 120.0931 59.4864 32.0479 179.3993 83 I 3.6963 7.7629 119.9536 64.5060 37.0670 178.5679 84 L 4.0587 8.0347 119.9895 57.7633 41.5667 179.7594 85 S 4.4269 8.3047 114.3585 61.1981 62.6775 176.1123 86 N 4.2748 8.2236 120.2198 57.1275 38.9310 176.3585 87 H 4.4300 8.6711 116.5882 57.5620 28.6688 176.7387 88 L 4.6321 8.5444 118.8507 53.3430 42.4204 177.1097 89 S 4.0410 7.8465 113.3207 59.1074 61.1406 172.7607 90 V 3.9266 7.0549 119.3932 61.0273 32.0734 176.1976 91 K 4.2186 8.4697 121.8173 55.7256 32.9677 176.2079 92 P 4.2527 0.0000 0.0000 65.8283 31.3612 178.6957 93 R 4.2271 8.0514 112.1967 58.1405 29.7596 176.8619 94 R 4.9442 8.2615 118.7034 56.1487 31.4093 175.3260 95 V 4.6034 7.8389 118.9748 61.1826 33.8939 174.1312 96 Y 4.8673 8.7813 128.2368 55.8548 42.1660 173.8154 97 I 4.7050 7.8467 126.1753 59.3292 40.3222 174.2254 98 E 4.5561 8.8897 128.3215 54.1686 32.6224 174.3329 99 F 5.2862 8.9352 124.6443 55.8499 41.1890 174.9874 100 R 4.7894 9.1408 122.9297 54.3420 33.5609 174.0681 101 D 5.1160 8.7233 121.9710 53.2237 42.9838 175.3344 102 C 4.6487 8.0552 122.5527 58.4846 31.7282 172.5314 *107 F 4.5457 8.5479 118.1647 58.2447 39.4304 174.3304 108 A 4.8674 8.0831 127.0250 50.3849 22.1595 174.9674 109 F 4.7711 8.5326 117.9842 55.7718 43.1065 174.7725 110 S 4.5190 8.6965 120.0916 57.5863 63.3170 174.9996 111 G 4.0357 8.7528 113.0234 46.8940 0.0000 175.8364 112 S 4.2485 8.0472 116.0292 61.1396 63.0305 176.0731 113 L 3.8949 7.3996 121.3871 56.4797 41.1673 177.6380 114 F 4.9576 7.7028 115.3590 58.2413 41.4320 176.6500 115 G 3.7034 8.4845 106.4962 47.2462 0.0000 173.3036 *116 G 3.7078 7.9611 113.7925 45.6415 0.0000 173.0301 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 P 0.00 4.66 0.00 2.16 2.61 0.00 3.91 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 2.05 1.86 0.00 *3 C 8.33 4.64 0.00 2.98 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 4 E 8.84 4.98 0.00 1.95 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 0.00 2.18 2.02 0.00 5 L 8.99 4.56 0.00 1.53 1.54 0.65 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.52 4.83 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.57 1.01 0.00 0.00 7 T 8.68 5.02 4.02 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 0.88 0.00 0.00 8 N 8.56 5.10 0.00 2.84 3.04 0.00 0.00 6.87 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 9 I 7.80 4.48 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 1.01 0.00 0.00 10 S 8.70 4.23 0.00 3.28 3.62 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 11 I 7.56 4.63 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.34 0.94 0.00 0.00 12 P 0.00 4.38 0.00 2.28 1.93 0.00 3.53 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 2.05 2.09 0.00 13 D 8.56 4.25 0.00 2.61 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 14 D 7.91 4.30 0.00 2.91 2.88 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 15 K 7.93 3.97 0.00 1.78 1.87 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 16 A 8.04 3.75 0.80 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 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.26 3.93 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 18 N 8.18 4.33 0.00 2.97 2.92 0.00 0.00 7.06 6.72 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 19 T 8.11 3.76 4.47 0.00 0.00 0.00 0.00 0.00 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 20 L 8.12 4.01 0.00 1.84 1.73 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.34 4.07 0.00 3.94 4.07 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 22 E 8.30 3.96 0.00 2.13 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 0.00 2.33 2.53 0.00 23 I 7.85 3.69 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.84 0.00 0.00 24 E 8.43 3.93 0.00 2.18 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 2.32 2.43 0.00 25 D 8.39 4.34 0.00 2.86 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 26 A 8.06 4.01 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 27 I 7.97 3.64 2.03 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 1.41 0.83 0.93 0.00 0.00 28 S 8.14 4.28 0.00 3.88 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 29 N 8.22 4.26 0.00 2.85 2.83 0.00 0.00 7.36 7.50 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 30 I 7.82 3.96 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 1.53 0.65 0.92 0.00 0.00 31 L 8.09 4.36 0.00 1.83 1.71 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.08 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 0.00 0.00 0.00 33 K 7.21 4.43 0.00 1.91 1.88 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.44 7.81 34 P 0.00 4.46 0.00 2.05 2.01 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 35 V 7.83 4.46 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 1.04 0.00 0.00 0.91 0.00 0.00 36 A 8.15 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.62 4.52 0.00 3.03 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 38 I 7.43 4.06 1.89 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 1.30 0.76 0.98 0.00 0.00 39 M 8.75 4.79 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 40 S 8.25 5.42 0.00 3.83 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 41 N 8.34 4.76 0.00 2.84 2.63 0.00 0.00 6.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.78 4.83 0.00 2.98 2.76 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 43 D 9.17 4.87 0.00 2.72 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 44 Y 8.74 4.94 0.00 3.20 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 45 Q 8.81 4.19 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 46 K 8.01 3.55 0.00 1.38 1.69 0.00 1.84 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.46 7.81 47 N 7.76 4.83 0.00 2.70 2.79 0.00 0.00 6.84 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 48 L 7.83 4.06 0.00 1.89 1.65 1.00 1.24 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 49 R 8.30 4.94 0.00 1.71 1.68 0.00 3.17 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 50 F 8.22 4.51 0.00 1.51 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 0.00 0.00 0.00 51 S 8.77 2.94 0.00 3.50 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 52 G 8.33 3.83 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 0.00 0.00 0.00 53 S 7.68 4.57 0.00 3.78 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 54 N 8.58 5.10 0.00 2.69 2.78 0.00 0.00 7.29 7.65 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 55 E 8.01 4.15 0.00 2.03 1.89 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 2.42 2.33 0.00 56 G 8.47 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 0.00 0.00 0.00 57 Y 9.09 5.09 0.00 3.21 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 58 C 8.28 4.69 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 5.14 0.00 2.96 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 60 V 8.66 4.35 1.77 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 0.54 0.00 0.00 0.71 0.00 0.00 61 R 8.15 4.52 0.00 0.95 1.35 0.00 3.17 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 62 L 8.58 4.75 0.00 1.19 1.43 0.17 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.25 4.84 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 1.22 0.00 0.00 64 S 8.55 3.63 0.00 4.03 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 65 I 7.63 4.22 1.96 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 1.40 0.84 0.95 0.00 0.00 66 G 8.45 3.69 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 0.00 0.00 0.00 67 G 8.85 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 0.00 0.00 0.00 68 I 7.64 3.75 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.97 0.78 0.00 0.00 69 N 8.22 4.99 0.00 2.78 2.81 0.00 0.00 6.19 7.66 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 70 R 8.58 3.88 0.00 1.78 2.01 0.00 3.18 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 71 S 7.90 4.45 0.00 3.82 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 72 N 8.53 4.96 0.00 2.78 2.96 0.00 0.00 6.91 6.63 0.00 0.00 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 N 8.00 4.06 0.00 2.37 1.93 0.00 0.00 6.80 7.57 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 74 S 7.85 4.15 0.00 3.86 3.83 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 75 L 7.87 3.98 0.00 1.83 1.71 0.92 0.52 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 76 L 8.10 3.96 0.00 1.90 2.04 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.61 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.23 0.00 2.85 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 79 K 8.11 3.91 0.00 1.99 1.93 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.52 7.81 80 I 7.96 3.65 1.80 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 1.46 0.66 0.79 0.00 0.00 81 T 8.07 3.85 4.40 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 1.21 0.00 0.00 82 K 8.21 3.97 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.64 7.81 83 I 7.76 3.70 1.97 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 1.49 0.69 0.78 0.00 0.00 84 L 8.03 4.06 0.00 1.66 1.68 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.30 4.43 0.00 4.14 4.13 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 0.00 0.00 0.00 0.00 86 N 8.22 4.27 0.00 2.82 3.15 0.00 0.00 7.27 8.68 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 87 H 8.67 4.43 0.00 3.22 3.38 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.54 4.63 0.00 1.90 1.72 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.85 4.04 0.00 4.06 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 90 V 7.05 3.93 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 0.70 0.00 0.00 0.98 0.00 0.00 91 K 8.47 4.22 0.00 1.91 1.82 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.51 7.81 92 P 0.00 4.25 0.00 2.21 2.14 0.00 3.63 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 93 R 8.05 4.23 0.00 2.03 2.14 0.00 3.06 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 94 R 8.26 4.94 0.00 2.00 2.30 0.00 3.54 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 95 V 7.84 4.60 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 0.65 0.00 0.00 0.93 0.00 0.00 96 Y 8.78 4.87 0.00 2.86 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 97 I 7.85 4.70 1.70 0.00 0.00 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 1.01 0.64 0.47 0.00 0.00 98 E 8.89 4.56 0.00 2.02 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 2.25 2.33 0.00 99 F 8.94 5.29 0.00 2.87 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 0.00 100 R 9.14 4.79 0.00 1.70 1.82 0.00 3.32 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 101 D 8.72 5.12 0.00 2.70 2.57 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 0.00 102 C 8.06 4.65 0.00 2.91 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 *107 F 8.55 4.55 0.00 2.99 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 0.00 108 A 8.08 4.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.53 4.77 0.00 3.16 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 0.00 110 S 8.70 4.52 0.00 3.90 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 0.00 111 G 8.75 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 0.00 0.00 0.00 112 S 8.05 4.25 0.00 4.03 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 0.00 113 L 7.40 3.89 0.00 0.29 0.82 0.91 0.63 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 0.00 114 F 7.70 4.96 0.00 3.19 2.97 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 0.00 115 G 8.48 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 *116 G 7.96 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 * Residues marked with a * may have inaccurate shift predictions.