NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5994 8.3649 120.5296 53.9503 42.2828 174.8448 3 I 3.7957 8.2509 124.6466 60.5300 37.7618 174.2463 4 K 4.4872 8.2742 124.9949 54.9818 34.4716 175.7839 5 E 4.4356 8.3265 119.5603 55.2405 30.9765 176.2750 6 L 4.4754 8.2066 120.7681 55.1217 42.8969 176.4589 7 H 4.4334 9.1250 120.3267 55.8223 29.9424 174.4272 8 V 4.7422 8.5003 123.3509 61.1921 33.2833 174.6807 9 K 4.5137 9.0101 128.2760 54.9727 34.4442 175.4274 10 T 4.7459 8.4482 122.6311 62.5593 69.0005 174.6321 11 V 4.5386 8.5480 119.3595 59.2815 36.0994 174.8540 12 K 4.6561 8.5463 120.2389 54.0423 34.8146 176.1855 13 R 4.2943 8.8273 121.9481 58.8293 30.0022 176.7161 14 G 4.0083 9.4128 114.7384 44.8514 0.0000 173.1207 15 E 4.1530 8.3814 121.4495 56.3274 31.0089 175.0134 16 N 5.2022 8.5163 121.8661 51.8470 40.2885 174.5626 17 V 4.3919 8.6308 123.1229 61.5357 35.0638 174.4114 18 T 5.4248 7.7370 120.7647 60.8143 72.8070 172.5584 *20 E 4.6093 8.5836 120.1441 57.0700 30.8699 176.5764 21 C 4.9222 9.6266 122.7313 55.5702 47.3808 173.8112 22 S 4.5718 8.5646 121.8169 57.6306 64.0710 172.6445 *24 S 4.4837 8.6420 111.7125 58.2309 64.3331 174.5469 25 K 4.2852 7.8470 116.5903 55.8488 32.4805 176.4065 26 V 3.9612 7.3445 119.8140 62.1552 32.3263 175.4770 27 K 3.9249 8.8996 129.1388 58.4986 32.4778 176.4357 28 D 4.5409 8.6072 121.8266 51.8545 42.7241 175.7324 29 K 3.5050 8.3143 127.4792 59.1930 32.1659 179.4172 30 N 4.4887 7.9578 115.3544 55.7869 38.7102 175.8094 31 K 4.3527 8.1731 116.5323 55.8961 32.4554 174.8614 32 L 5.0647 7.4696 122.1010 53.5560 43.8870 175.1748 33 A 5.2743 8.8065 125.7433 51.0507 23.3728 174.8356 34 W 5.4152 9.1569 119.6932 55.5633 31.7105 175.1527 35 Y 5.4576 9.8348 120.9148 56.3306 41.1698 174.5078 36 R 4.6015 9.6206 123.9224 54.4262 33.3303 174.2048 37 Q 4.7814 8.4885 127.3428 54.1610 31.3370 174.8736 38 S 4.6219 8.4163 122.6927 57.6380 64.6409 173.8642 39 F 4.0972 8.8337 124.1328 59.9363 39.3595 175.4089 40 G 3.6146 8.0390 114.6502 45.7152 0.0000 172.8090 41 K 4.6163 7.4689 117.8414 53.7453 34.9951 176.0047 42 V 3.9266 8.0522 120.4424 62.1912 32.0682 174.1502 43 P 4.8488 0.0000 0.0000 63.0919 32.3567 175.6739 44 Q 4.8680 9.4408 121.2097 54.0097 32.8314 174.2311 45 Y 4.3002 9.2475 125.3531 58.0752 39.0022 175.5090 46 F 4.6236 8.7586 119.1017 56.0523 40.4317 174.6982 47 V 4.9046 6.7274 118.4054 60.2626 34.5982 173.4797 48 R 5.4289 9.1752 119.3004 54.1920 33.3160 173.8560 49 Y 5.0006 8.7779 121.6423 58.6423 39.7186 174.8888 50 Y 4.2924 7.6304 125.3847 55.9296 42.9831 174.3924 51 S 4.0337 7.4135 120.9917 57.7368 61.2046 172.7402 52 S 4.6015 7.7645 119.9729 57.0204 65.3257 174.9984 53 N 4.4621 8.8725 118.0434 56.7518 38.4895 177.2713 54 S 4.1452 8.0626 113.1166 61.5858 63.1692 175.5649 55 G 4.4258 10.0588 107.5737 44.7480 0.0000 171.8033 56 Y 5.4256 6.8203 115.0913 55.8947 40.8037 173.8505 57 K 4.4444 8.8817 121.0249 54.7618 35.9747 175.7020 58 F 5.0108 8.7739 124.5868 56.9079 40.2941 175.1976 59 A 4.2020 8.7597 123.0795 51.2618 19.5984 176.9562 60 E 4.0481 8.7975 120.1913 58.0664 29.8914 177.9130 61 G 3.9343 8.9424 113.3911 45.4241 0.0000 172.7716 62 F 4.2196 7.9494 122.6194 56.7663 40.0084 174.9838 63 K 3.8348 7.0221 128.5420 55.0889 33.9273 175.2269 64 D 4.1196 7.4902 126.7381 53.2584 42.4984 175.7735 65 S 4.3803 8.5476 121.9997 60.1259 63.5129 175.3934 66 R 4.1667 8.4588 120.6711 58.0127 30.3148 175.9393 67 F 5.1150 8.1933 117.2643 56.3055 39.9026 175.5578 68 S 4.2845 8.7381 120.1136 57.9856 68.7393 175.4141 *70 T 4.3314 8.6162 116.8095 63.3639 69.7224 172.8951 71 V 5.0738 8.3120 126.1578 60.9673 33.8270 174.4355 72 N 4.9301 8.7473 123.3521 52.5707 39.6657 174.3326 73 D 4.1950 8.8975 116.8068 57.3811 41.0972 177.3710 74 Q 4.4388 8.6115 117.0394 56.2651 30.2188 176.0305 75 K 4.8111 7.9030 115.7289 54.6818 35.6697 175.1465 76 F 5.5071 9.0448 122.4228 56.9508 38.0373 173.6031 77 D 5.0264 8.6167 119.8109 52.7601 43.3274 177.2296 78 L 4.1103 7.9223 124.4375 53.5000 43.9014 174.5404 79 N 5.2688 8.7748 123.8057 51.4120 41.8783 173.6900 80 I 4.4488 8.3081 123.1349 59.4211 40.5776 174.4459 81 I 4.2613 8.4551 129.0530 60.2268 37.8114 176.2198 82 G 3.5763 8.8304 116.8850 46.1535 0.0000 173.6577 83 T 4.1289 8.0725 113.9711 62.2815 68.5493 172.7961 84 R 4.7993 8.8650 122.3446 54.3084 33.0559 175.6884 85 E 2.6064 8.0605 116.2379 58.6659 29.3802 179.3617 86 D 4.3535 7.8169 117.3326 56.0208 39.4621 176.9168 87 D 4.7478 8.2449 118.4482 54.9075 41.2445 176.9625 88 G 3.9843 8.0112 109.4605 45.3915 0.0000 174.6929 89 G 3.8172 7.1680 109.1474 44.6228 0.0000 171.0980 90 E 5.0473 8.0540 119.1082 54.6870 33.3755 174.9851 91 Y 4.9864 9.0503 120.3533 56.2124 41.9793 174.4924 92 F 5.6280 9.6473 122.2692 55.9308 43.0600 173.0715 93 C 4.6999 9.2873 124.1108 54.8639 44.8042 172.6559 94 G 4.4079 9.4132 113.1126 44.2872 0.0000 170.5419 95 E 5.1312 8.6628 123.1440 53.6527 32.1934 175.3499 96 V 3.9619 8.4160 128.4237 62.9145 32.0557 175.5280 97 E 4.4117 8.9405 125.7071 54.9296 31.7786 177.5080 98 G 3.8648 8.3730 118.2510 47.2342 0.0000 173.6658 99 N 4.6279 9.1124 122.3623 53.4142 39.1714 173.9534 100 T 4.6335 7.4730 107.5374 59.7295 72.2008 172.0063 101 I 4.5477 7.8182 121.2538 58.9328 40.3981 174.2029 102 K 4.2992 8.3677 129.6034 54.5564 34.2464 174.7606 103 F 5.0613 8.5415 127.0837 57.0962 39.0498 175.9393 104 T 4.2615 8.9104 115.1315 63.0936 69.6749 174.4434 105 S 4.7279 7.7324 115.1794 58.0364 66.3355 173.6654 106 G 4.8764 8.4453 105.3701 45.9876 0.0000 172.2706 107 T 5.3794 9.4289 117.7658 61.6677 73.3614 173.1837 108 R 4.9951 9.2054 126.7359 54.5514 31.7187 175.1013 109 L 4.5860 8.5607 130.7061 55.2434 43.3575 175.7404 110 Q 4.9418 8.8580 123.1215 54.7539 32.5973 175.0296 111 F 4.7198 8.8114 117.9591 56.9445 39.4746 175.4500 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 D 8.36 4.60 0.00 2.66 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 3 I 8.25 3.80 1.87 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 1.40 0.57 0.90 0.00 0.00 4 K 8.27 4.49 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 5 E 8.33 4.44 0.00 2.07 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 2.24 2.31 0.00 6 L 8.21 4.48 0.00 1.63 1.76 1.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 H 9.13 4.43 0.00 3.26 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.50 4.74 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 0.85 0.00 0.00 0.98 0.00 0.00 9 K 9.01 4.51 0.00 1.58 1.60 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.48 7.81 10 T 8.45 4.75 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 1.15 0.00 0.00 11 V 8.55 4.54 1.78 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 0.68 0.00 0.00 -0.08 0.00 0.00 12 K 8.55 4.66 0.00 1.79 1.70 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.29 7.81 13 R 8.83 4.29 0.00 1.82 1.93 0.00 3.15 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 14 G 9.41 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.38 4.15 0.00 2.10 1.84 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 2.23 2.24 0.00 16 N 8.52 5.20 0.00 2.58 2.64 0.00 0.00 6.67 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 17 V 8.63 4.39 1.84 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 0.84 0.00 0.00 0.78 0.00 0.00 18 T 7.74 5.42 4.15 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 1.12 0.00 0.00 *20 E 8.58 4.61 0.00 1.93 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 2.41 2.33 0.00 21 C 9.63 4.92 0.00 3.02 3.44 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 22 S 8.56 4.57 0.00 3.97 3.82 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 *24 S 8.64 4.48 0.00 4.04 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 25 K 7.85 4.29 0.00 1.74 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.40 7.81 26 V 7.34 3.96 1.93 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 0.58 0.00 0.00 0.85 0.00 0.00 27 K 8.90 3.92 0.00 1.71 1.96 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.31 7.81 28 D 8.61 4.54 0.00 2.53 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 29 K 8.31 3.51 0.00 1.12 0.74 0.00 1.31 0.00 0.00 1.06 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.98 1.09 7.81 30 N 7.96 4.49 0.00 2.88 2.90 0.00 0.00 6.97 7.26 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 31 K 8.17 4.35 0.00 1.77 1.85 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 32 L 7.47 5.06 0.00 1.46 1.18 0.71 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.81 5.27 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 34 W 9.16 5.42 0.00 2.82 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 35 Y 9.83 5.46 0.00 3.42 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 36 R 9.62 4.60 0.00 1.49 1.59 0.00 2.61 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.00 37 Q 8.49 4.78 0.00 2.13 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.50 0.00 38 S 8.42 4.62 0.00 3.82 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 39 F 8.83 4.10 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 3.61 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 0.00 0.00 0.00 41 K 7.47 4.62 0.00 1.84 1.72 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.49 7.81 42 V 8.05 3.93 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 0.84 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.85 0.00 2.23 2.31 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 44 Q 9.44 4.87 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 45 Y 9.25 4.30 0.00 2.58 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 46 F 8.76 4.62 0.00 2.26 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 47 V 6.73 4.90 1.78 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 0.10 0.00 0.00 0.44 0.00 0.00 48 R 9.18 5.43 0.00 2.08 2.22 0.00 2.86 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 49 Y 8.78 5.00 0.00 2.65 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 4.29 0.00 3.01 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 51 S 7.41 4.03 0.00 3.79 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.76 4.60 0.00 4.01 3.99 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 53 N 8.87 4.46 0.00 2.72 2.96 0.00 0.00 6.92 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 54 S 8.06 4.15 0.00 3.55 3.37 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 55 G 10.06 4.43 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 0.00 56 Y 6.82 5.43 0.00 2.89 2.89 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 57 K 8.88 4.44 0.00 1.70 1.58 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.16 1.25 7.81 58 F 8.77 5.01 0.00 3.17 3.15 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 59 A 8.76 4.20 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.05 0.00 2.01 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 2.34 2.37 0.00 61 G 8.94 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 0.00 0.00 0.00 62 F 7.95 4.22 0.00 3.00 3.13 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 63 K 7.02 3.83 0.00 1.47 1.34 0.00 1.77 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.12 1.25 7.81 64 D 7.49 4.12 0.00 1.85 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 0.00 0.00 0.00 65 S 8.55 4.38 0.00 4.03 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 66 R 8.46 4.17 0.00 2.14 2.11 0.00 3.37 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 67 F 8.19 5.11 0.00 3.11 3.36 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 68 S 8.74 4.28 0.00 3.95 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 *70 T 8.62 4.33 4.21 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 0.00 0.00 0.00 1.23 0.00 0.00 71 V 8.31 5.07 2.50 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 1.35 0.00 0.00 1.17 0.00 0.00 72 N 8.75 4.93 0.00 3.03 2.98 0.00 0.00 6.59 8.00 0.00 0.00 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 D 8.90 4.19 0.00 2.72 2.80 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 74 Q 8.61 4.44 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 75 K 7.90 4.81 0.00 1.64 1.75 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.52 7.81 76 F 9.04 5.51 0.00 2.97 3.15 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 77 D 8.62 5.03 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.11 0.00 0.31 0.31 0.92 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.77 5.27 0.00 2.52 2.51 0.00 0.00 6.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.31 4.45 1.49 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.59 0.00 0.00 81 I 8.46 4.26 1.83 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 1.13 0.32 0.95 0.00 0.00 82 G 8.83 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 4.13 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 1.35 0.00 0.00 84 R 8.86 4.80 0.00 1.97 1.90 0.00 3.23 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 85 E 8.06 2.61 0.00 1.75 1.68 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 0.00 2.07 1.47 0.00 86 D 7.82 4.35 0.00 2.76 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 87 D 8.24 4.75 0.00 3.00 2.96 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 88 G 8.01 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 89 G 7.17 3.82 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 0.00 0.00 0.00 90 E 8.05 5.05 0.00 1.69 1.65 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 2.27 2.28 0.00 91 Y 9.05 4.99 0.00 2.93 3.13 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 92 F 9.65 5.63 0.00 2.83 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 93 C 9.29 4.70 0.00 1.23 2.50 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 0.00 94 G 9.41 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 5.13 0.00 1.86 1.65 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 2.06 2.07 0.00 96 V 8.42 3.96 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 0.74 0.00 0.00 0.85 0.00 0.00 97 E 8.94 4.41 0.00 2.04 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 2.05 2.13 0.00 98 G 8.37 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 99 N 9.11 4.63 0.00 2.68 2.84 0.00 0.00 6.53 7.54 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 0.00 100 T 7.47 4.63 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 1.16 0.00 0.00 101 I 7.82 4.55 1.52 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.68 0.18 0.00 0.00 102 K 8.37 4.30 0.00 1.75 1.48 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.35 7.81 103 F 8.54 5.06 0.00 2.91 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 0.00 104 T 8.91 4.26 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 1.17 0.00 0.00 105 S 7.73 4.73 0.00 4.04 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 0.00 106 G 8.45 4.88 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 0.00 107 T 9.43 5.38 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 1.32 0.00 0.00 108 R 9.21 5.00 0.00 1.94 1.90 0.00 3.19 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 109 L 8.56 4.59 0.00 1.97 1.70 0.75 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.86 4.94 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 111 F 8.81 4.72 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.