NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2803 8.1749 117.3685 62.7696 69.9163 173.5315 3 L 3.7115 8.3292 124.7406 54.2635 42.2681 175.4291 4 D 4.4026 8.5423 122.6562 54.2333 41.6596 176.1590 5 T 4.7944 8.3764 115.9975 61.4722 69.2678 173.5686 6 T 4.7230 7.4478 117.5318 62.0748 70.7092 173.7426 7 W 5.2378 8.4297 123.5216 55.0957 33.5408 174.3312 8 K 4.5941 8.7726 121.9931 54.7179 35.1839 174.6184 9 E 5.4424 8.6694 119.1487 54.8791 32.7840 175.8079 10 A 5.0103 9.3297 124.4302 50.4497 23.1448 176.2254 11 T 4.8961 8.4979 110.3934 59.9708 70.5793 175.5489 12 L 3.8740 8.8497 122.7496 58.0778 41.9693 177.0581 13 P 4.2864 0.0000 0.0000 65.6408 31.2596 178.3801 14 Q 3.9420 7.6346 115.4043 58.8176 28.8580 178.1620 15 V 3.3993 7.8963 119.6353 65.8393 31.6825 177.6926 16 K 3.7435 8.3179 119.4101 59.6581 31.7538 178.3863 17 A 3.9756 7.7449 119.4106 55.4915 18.4655 179.2547 18 M 4.0652 7.9607 117.1239 58.4573 32.0859 178.9398 19 L 3.8734 8.1170 119.4396 57.7705 41.5622 179.0917 20 Q 4.1554 7.6974 115.4574 57.2632 28.8029 177.5196 21 K 4.2414 7.8233 118.9766 55.8298 32.7147 176.5203 22 D 4.5115 7.2862 120.1089 54.8372 41.4743 175.6928 23 T 4.4263 8.8351 116.2223 61.6228 69.0471 174.9041 24 G 3.1244 8.2685 109.8846 45.5587 0.0000 173.3384 25 K 4.4348 8.3235 122.1551 54.2290 34.1946 175.2744 26 V 4.2744 8.1248 127.9439 62.5118 32.8544 175.6252 27 S 4.3531 9.0883 122.3659 57.1335 64.5763 174.1263 28 G 3.8024 8.3407 122.7930 47.9580 0.0000 173.0408 *29 D 5.0275 8.5541 121.0626 54.2003 40.8101 173.9629 30 T 5.2390 8.0525 115.4843 62.4628 72.8785 173.5144 31 V 4.6974 9.0110 124.8148 61.4726 34.5282 174.1140 32 T 5.0524 8.7339 125.1096 62.0957 70.6817 173.1797 33 Y 5.1121 9.2915 124.1668 56.2689 40.5863 175.4100 34 S 4.5747 8.8461 115.4832 57.3249 66.2892 172.6470 35 G 3.8163 8.7181 106.7901 44.3093 0.0000 173.8094 36 K 4.2497 8.5838 116.7782 58.3659 33.3852 177.5629 37 T 5.0367 7.8190 115.4270 61.7261 71.8046 173.9355 38 V 4.5990 8.6123 118.5401 59.6747 36.2836 174.2556 39 H 5.2410 9.0860 122.5475 54.6435 32.3226 172.3723 40 V 4.6305 8.5389 127.0934 61.4218 33.2370 174.6525 41 V 4.6632 8.8987 127.7141 61.1797 33.2952 174.2993 42 A 5.1036 8.9793 130.0990 50.0172 22.2156 174.6198 43 A 5.1846 9.1403 121.8086 49.9842 22.9551 175.1938 44 A 4.4663 9.1617 123.6317 51.5242 19.8732 177.0717 45 V 3.4517 8.3087 121.4736 63.5415 30.1196 172.2437 46 L 4.0933 8.4689 121.3542 52.9757 42.5390 175.5135 47 P 4.4081 0.0000 0.0000 64.6616 31.6285 176.4768 48 G 3.9916 9.2349 111.1065 45.1641 0.0000 173.4451 49 F 4.6007 7.8977 117.5110 55.1146 40.5737 174.0215 50 P 4.4403 0.0000 0.0000 62.6775 31.7754 175.8085 51 F 4.5567 8.6646 124.1737 55.9955 40.7201 172.9968 52 P 3.9617 0.0000 0.0000 60.8928 32.8921 174.3927 53 S 4.4165 7.5889 114.0859 57.5952 66.5334 172.6848 54 F 5.4490 9.6466 119.4624 55.9881 41.7481 174.7419 55 E 5.6626 9.3616 121.2211 53.8163 32.7607 175.2944 56 V 4.6045 7.8324 122.3569 61.7902 35.0577 174.7191 57 H 3.7273 9.7812 127.5527 57.4064 28.1683 173.9989 58 D 4.5578 8.4278 112.0963 54.4042 39.8203 172.7159 59 K 4.8040 7.7372 116.0234 53.8603 35.0649 175.1817 60 K 4.7728 8.8223 123.0344 57.0013 32.9268 176.6645 61 N 4.5951 9.6049 125.8355 52.4893 36.7710 172.7187 62 P 4.9001 0.0000 0.0000 62.9968 33.1718 176.9376 63 T 4.5612 8.7309 118.7861 63.6391 69.7864 173.5702 64 L 5.1770 9.2617 127.3952 53.7574 43.8974 175.5802 65 Q 5.1139 9.4758 123.8035 54.5260 30.7763 174.6754 66 I 4.9386 8.6830 125.3817 58.5651 41.1661 173.6566 67 P 4.7400 0.0000 0.0000 62.0133 32.4454 176.0110 68 A 4.0567 8.4062 127.2564 53.5223 18.8408 178.1155 69 G 3.8643 8.1677 108.6585 45.1788 0.0000 173.9851 70 A 4.3028 7.3312 121.2197 52.1351 19.5055 177.3015 71 T 4.0615 8.7125 118.0497 62.7360 70.2555 174.1079 72 V 4.4224 8.7071 127.7035 61.3009 33.5155 174.1670 73 D 4.9764 8.7119 129.3928 53.2400 42.2346 175.7214 74 V 4.4180 8.3219 124.5858 61.1346 33.9843 174.2808 75 T 4.9620 8.6613 124.6948 61.6911 71.1747 172.8568 76 F 5.3866 9.3279 129.0373 56.3737 42.4598 173.7144 77 I 4.8192 8.3102 126.3795 59.4267 40.4725 174.0023 78 N 4.9127 8.9329 126.8134 52.3838 39.0705 174.0380 79 T 4.4268 8.3325 116.5476 61.3044 70.4674 173.6010 80 N 5.0618 8.1283 121.8239 51.8635 39.1150 174.1490 81 K 3.9491 8.7374 125.6668 58.3375 32.5371 177.8535 82 G 3.7522 9.3116 110.9379 45.2537 0.0000 172.9168 83 F 4.7838 8.0516 117.5955 55.6905 43.3430 174.4625 84 G 4.4976 8.2117 107.1638 44.3795 0.0000 172.9969 85 H 4.8485 8.3248 117.0507 56.5756 30.6819 176.1366 86 D 5.7642 9.0261 120.0457 51.8571 42.7556 175.4427 87 F 4.3752 8.8238 119.9211 56.6640 41.8111 172.5069 88 D 4.9309 8.5874 126.0977 52.2456 44.3429 175.1058 89 I 4.6045 8.3709 124.0248 59.9725 39.2513 174.7750 90 T 5.0324 8.9230 120.5625 60.5408 71.0217 174.5015 91 K 4.1916 8.9076 123.1416 57.6009 32.7129 177.5733 92 K 4.1748 8.2135 119.8580 55.7025 32.4584 177.0620 93 G 2.9797 8.0797 112.9735 42.3617 0.0000 170.8754 94 P 2.9700 0.0000 0.0000 60.3187 31.9402 174.1821 95 P 3.9841 0.0000 0.0000 62.5951 32.2468 175.0311 96 Y 4.5983 7.7803 115.5426 55.8276 40.4116 175.8336 97 A 4.3796 8.3569 125.6529 51.4525 19.6319 177.8547 98 V 3.6432 8.5240 118.8861 65.7499 31.4799 175.1991 99 M 4.6980 7.6804 119.9277 52.6689 31.6865 173.5567 100 P 4.2967 0.0000 0.0000 62.2585 32.0850 177.1208 101 V 4.0381 8.3281 123.0364 61.9378 30.6692 175.2557 102 I 4.6329 7.9634 118.3014 59.9241 38.9794 175.5662 103 D 4.5828 7.9543 121.6789 53.6157 41.3472 174.0286 104 P 4.4737 0.0000 0.0000 62.1948 32.3625 175.8805 105 I 4.0622 8.1046 122.7868 61.0744 37.4948 176.5967 106 V 3.8240 8.4890 119.6610 63.6089 32.1179 176.3919 107 A 4.1563 6.4637 119.1606 50.4533 21.5775 176.3401 108 G 3.1917 6.3424 107.2578 45.4818 0.0000 170.9737 109 T 4.8042 7.5940 109.7678 59.7570 71.6922 174.5146 110 G 4.0031 8.7131 109.8225 45.2604 0.0000 173.1647 111 F 4.9072 8.4298 118.8445 57.6953 39.2374 176.0962 112 S 2.7900 8.7627 117.8691 56.2416 64.7894 171.7448 113 P 4.2565 0.0000 0.0000 62.4608 31.7429 176.6405 114 V 4.1546 8.0300 123.1853 61.2728 32.2170 174.1286 115 P 4.3483 0.0000 0.0000 63.1723 31.9720 175.6839 116 K 4.3073 8.4419 121.1003 56.5687 35.3579 175.5584 117 D 4.3884 9.5298 123.9563 55.3373 38.1743 174.4182 118 G 3.7698 7.9972 104.9048 45.7071 0.0000 173.0942 119 K 4.7433 7.6831 119.4450 54.1550 34.8754 175.1656 120 F 5.0887 9.3454 123.5873 55.4556 42.0930 175.1795 121 G 4.3167 8.7876 110.5629 46.4732 0.0000 171.9208 122 Y 5.8447 9.1980 120.3907 56.2580 42.1599 173.4197 123 T 4.6777 9.1672 113.4371 61.0738 71.3769 171.7713 124 N 5.6939 8.5703 122.1927 51.4817 41.7893 173.7153 125 F 5.0763 8.7881 116.7831 55.8241 42.1851 173.1003 126 T 5.1136 8.7101 115.2237 61.5709 71.3484 173.6435 127 W 5.1946 9.4138 134.5024 56.0674 34.3589 173.8474 128 H 4.9144 8.7146 123.0319 53.2366 28.2295 171.2883 129 P 4.1565 0.0000 0.0000 62.1750 33.1768 176.3261 130 T 4.4421 8.1940 115.0649 59.7774 69.3943 173.8081 131 A 4.2593 8.5252 125.9545 51.5958 18.9132 177.5900 132 G 3.9468 8.0834 109.1098 46.5822 0.0000 170.7844 133 T 5.0788 7.6834 116.4649 62.1645 70.2945 174.0835 134 Y 5.0192 9.0891 122.6094 56.5380 43.0729 173.6171 135 Y 5.1820 9.2057 116.9073 56.5916 42.6655 174.1667 136 Y 4.7812 8.3654 121.2546 55.3481 40.3384 174.8266 137 V 4.7158 8.2820 122.0893 61.4909 35.6902 172.8997 138 C 5.3207 8.5703 126.3644 58.4301 32.5762 173.5056 139 Q 4.4447 10.0879 124.3317 55.6976 29.1928 176.1940 140 I 3.7734 7.7653 120.8741 60.4987 37.5481 173.5544 141 P 4.5756 0.0000 0.0000 64.7291 31.5588 176.1775 142 G 4.1464 9.2733 112.3215 45.9571 0.0000 175.4920 143 H 4.0707 8.6008 116.9181 58.9487 29.1452 177.6793 144 A 4.2430 8.1899 121.6669 55.1738 18.3958 179.3890 145 A 4.3536 8.4646 117.0943 54.2868 18.5726 178.1281 146 T 4.4607 7.4570 104.2043 61.8865 68.8403 175.1677 147 G 3.9091 8.1095 108.6672 45.9795 0.0000 175.2021 148 M 4.3445 8.3081 122.7987 52.8650 30.3461 174.5070 149 F 5.1930 7.2599 114.7733 55.9693 41.2334 173.7973 150 G 3.8071 7.9708 106.4401 44.8765 0.0000 171.1028 151 K 4.8881 8.6215 120.1827 54.6356 35.2652 174.7676 152 I 5.1628 8.6545 125.6382 59.5869 41.1183 174.3564 153 V 4.6578 9.3867 127.3850 61.1413 33.8725 174.1812 154 V 5.3485 9.1434 129.0259 60.3447 33.6041 175.6012 155 K 4.2100 8.4472 126.2270 57.5276 31.6101 175.4583 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 T 8.17 4.28 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 1.19 0.00 0.00 3 L 8.33 3.71 0.00 1.62 1.48 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.54 4.40 0.00 2.55 2.40 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 0.00 5 T 8.38 4.79 4.39 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 1.25 0.00 0.00 6 T 7.45 4.72 4.11 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 1.17 0.00 0.00 7 W 8.43 5.24 0.00 3.09 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 8 K 8.77 4.59 0.00 0.79 1.45 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.15 7.81 9 E 8.67 5.44 0.00 1.86 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 0.00 2.23 2.24 0.00 10 A 9.33 5.01 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 11 T 8.50 4.90 4.33 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 1.26 0.00 0.00 12 L 8.85 3.87 0.00 1.94 1.78 0.63 0.91 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 13 P 0.00 4.29 0.00 2.21 2.09 0.00 3.64 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 2.14 2.16 0.00 14 Q 7.63 3.94 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 15 V 7.90 3.40 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 0.84 0.00 0.00 0.87 0.00 0.00 16 K 8.32 3.74 0.00 1.78 2.02 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 17 A 7.74 3.98 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 18 M 7.96 4.07 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 19 L 8.12 3.87 0.00 1.73 1.62 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.70 4.16 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 21 K 7.82 4.24 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.56 7.81 22 D 7.29 4.51 0.00 2.60 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 23 T 8.84 4.43 4.31 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 1.30 0.00 0.00 24 G 8.27 3.12 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 25 K 8.32 4.43 0.00 1.78 1.55 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.26 7.81 26 V 8.12 4.27 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 0.80 0.00 0.00 0.84 0.00 0.00 27 S 9.09 4.35 0.00 3.76 3.66 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 0.00 0.00 0.00 0.00 28 G 8.34 3.80 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 0.00 *29 D 8.55 5.03 0.00 2.38 2.63 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 0.00 0.00 0.00 0.00 30 T 8.05 5.24 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 31 V 9.01 4.70 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 0.61 0.00 0.00 0.95 0.00 0.00 32 T 8.73 5.05 4.16 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 0.00 0.00 0.00 1.21 0.00 0.00 33 Y 9.29 5.11 0.00 2.75 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 34 S 8.85 4.57 0.00 3.92 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 35 G 8.72 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 36 K 8.58 4.25 0.00 1.71 1.84 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.46 7.81 37 T 7.82 5.04 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 1.20 0.00 0.00 38 V 8.61 4.60 2.14 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 0.82 0.00 0.00 0.71 0.00 0.00 39 H 9.09 5.24 0.00 3.15 3.13 0.00 5.59 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.54 4.63 1.82 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 0.76 0.00 0.00 0.33 0.00 0.00 41 V 8.90 4.66 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 0.71 0.00 0.00 0.68 0.00 0.00 42 A 8.98 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.14 5.18 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 0.00 0.00 0.00 0.00 0.00 44 A 9.16 4.47 1.40 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 0.00 0.00 0.00 45 V 8.31 3.45 2.25 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 0.89 0.00 0.00 0.80 0.00 0.00 46 L 8.47 4.09 0.00 1.52 1.64 0.70 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.41 0.00 2.07 2.06 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 48 G 9.23 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 0.00 0.00 0.00 49 F 7.90 4.60 0.00 3.20 3.09 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 0.00 0.00 0.00 50 P 0.00 4.44 0.00 2.08 2.02 0.00 3.90 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 51 F 8.66 4.56 0.00 2.95 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 52 P 0.00 3.96 0.00 1.41 0.49 0.00 3.69 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.38 0.00 53 S 7.59 4.42 0.00 3.96 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 54 F 9.65 5.45 0.00 3.38 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 55 E 9.36 5.66 0.00 1.58 1.43 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 1.47 1.47 0.00 56 V 7.83 4.60 2.14 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 1.08 0.00 0.00 0.87 0.00 0.00 57 H 9.78 3.73 0.00 3.25 3.29 0.00 6.08 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.43 4.56 0.00 2.88 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 59 K 7.74 4.80 0.00 1.99 1.89 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.66 7.81 60 K 8.82 4.77 0.00 1.98 1.84 0.00 1.96 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.71 7.81 61 N 9.60 4.60 0.00 2.78 2.87 0.00 0.00 6.99 8.24 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 62 P 0.00 4.90 0.00 2.19 2.14 0.00 4.00 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 63 T 8.73 4.56 4.33 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 1.29 0.00 0.00 64 L 9.26 5.18 0.00 1.77 1.83 0.84 0.98 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 65 Q 9.48 5.11 0.00 1.99 2.09 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 2.36 2.50 0.00 66 I 8.68 4.94 1.86 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 1.04 0.78 0.75 0.00 0.00 67 P 0.00 4.74 0.00 2.04 1.96 0.00 3.58 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 68 A 8.41 4.06 1.17 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 0.00 0.00 0.00 69 G 8.17 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 70 A 7.33 4.30 1.19 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 0.00 0.00 0.00 71 T 8.71 4.06 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 1.13 0.00 0.00 72 V 8.71 4.42 2.23 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 0.78 0.00 0.00 0.65 0.00 0.00 73 D 8.71 4.98 0.00 2.60 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 74 V 8.32 4.42 0.67 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 0.39 0.00 0.00 0.53 0.00 0.00 75 T 8.66 4.96 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 1.29 0.00 0.00 76 F 9.33 5.39 0.00 2.70 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 77 I 8.31 4.82 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.91 0.00 0.00 78 N 8.93 4.91 0.00 2.64 2.70 0.00 0.00 7.14 8.56 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 79 T 8.33 4.43 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 0.81 0.00 0.00 80 N 8.13 5.06 0.00 3.15 3.07 0.00 0.00 7.11 6.28 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 81 K 8.74 3.95 0.00 1.90 1.82 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.64 7.81 82 G 9.31 3.75 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 0.00 0.00 0.00 83 F 8.05 4.78 0.00 3.02 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 84 G 8.21 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 0.00 0.00 0.00 0.00 85 H 8.32 4.85 0.00 3.51 3.53 0.00 5.58 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.03 5.76 0.00 2.78 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 87 F 8.82 4.38 0.00 1.51 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 0.00 0.00 0.00 0.00 88 D 8.59 4.93 0.00 2.40 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 0.00 0.00 0.00 0.00 89 I 8.37 4.60 1.28 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.37 0.29 0.00 0.00 90 T 8.92 5.03 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 1.37 0.00 0.00 91 K 8.91 4.19 0.00 1.83 1.83 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.64 7.81 92 K 8.21 4.17 0.00 1.83 1.78 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.42 7.81 93 G 8.08 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 0.00 0.00 0.00 94 P 0.00 2.97 0.00 1.46 0.49 0.00 2.56 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 0.00 95 P 0.00 3.98 0.00 2.06 1.97 0.00 3.48 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 96 Y 7.78 4.60 0.00 3.03 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 97 A 8.36 4.38 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 3.64 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 1.10 0.00 0.00 0.97 0.00 0.00 99 M 7.68 4.70 0.00 2.05 2.03 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 2.54 2.56 0.00 100 P 0.00 4.30 0.00 1.88 1.84 0.00 3.68 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 1.93 2.01 0.00 101 V 8.33 4.04 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 0.83 0.00 0.00 0.94 0.00 0.00 102 I 7.96 4.63 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.76 0.00 0.00 103 D 7.95 4.58 0.00 2.69 2.63 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 0.00 0.00 0.00 0.00 104 P 0.00 4.47 0.00 2.20 2.05 0.00 3.78 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 2.00 0.00 105 I 8.10 4.06 1.77 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 1.30 0.46 0.82 0.00 0.00 106 V 8.49 3.82 2.26 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 0.83 0.00 0.00 0.83 0.00 0.00 107 A 6.46 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 6.34 3.19 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 0.00 0.00 0.00 0.00 109 T 7.59 4.80 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 110 G 8.71 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 0.00 111 F 8.43 4.91 0.00 3.06 3.09 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 0.00 0.00 0.00 112 S 8.76 2.79 0.00 3.14 3.59 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 0.00 113 P 0.00 4.26 0.00 1.81 1.89 0.00 2.86 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 114 V 8.03 4.15 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 1.04 0.00 0.00 0.86 0.00 0.00 115 P 0.00 4.35 0.00 2.07 1.76 0.00 3.84 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 116 K 8.44 4.31 0.00 1.68 1.49 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.34 7.81 117 D 9.53 4.39 0.00 2.79 2.68 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 0.00 0.00 0.00 118 G 8.00 3.77 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 0.00 119 K 7.68 4.74 0.00 1.71 1.82 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.32 7.81 120 F 9.35 5.09 0.00 3.04 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 0.00 121 G 8.79 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.20 5.84 0.00 3.14 3.05 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 0.00 123 T 9.17 4.68 3.19 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 0.72 0.00 0.00 124 N 8.57 5.69 0.00 2.57 2.62 0.00 0.00 6.70 7.45 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 0.00 125 F 8.79 5.08 0.00 3.00 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 0.00 126 T 8.71 5.11 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 1.19 0.00 0.00 127 W 9.41 5.19 0.00 3.34 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 0.00 128 H 8.71 4.91 0.00 2.97 3.10 0.00 5.94 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 0.00 129 P 0.00 4.16 0.00 1.33 0.49 0.00 3.21 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 130 T 8.19 4.44 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 1.33 0.00 0.00 131 A 8.53 4.26 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 0.00 132 G 8.08 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 0.00 133 T 7.68 5.08 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 1.00 0.00 0.00 134 Y 9.09 5.02 0.00 2.95 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 0.00 135 Y 9.21 5.18 0.00 2.90 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 0.00 136 Y 8.37 4.78 0.00 1.43 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 0.00 0.00 0.00 0.00 137 V 8.28 4.72 1.82 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 0.34 0.00 0.00 0.64 0.00 0.00 138 C 8.57 5.32 0.00 3.09 2.84 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 0.00 139 Q 10.09 4.44 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 140 I 7.77 3.77 1.63 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 1.33 0.83 0.79 0.00 0.00 141 P 0.00 4.58 0.00 2.05 2.05 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 142 G 9.27 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 0.00 0.00 0.00 0.00 143 H 8.60 4.07 0.00 3.29 3.21 0.00 5.65 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 0.00 144 A 8.19 4.24 1.21 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 0.00 0.00 0.00 145 A 8.46 4.35 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 T 7.46 4.46 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 1.32 0.00 0.00 147 G 8.11 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 0.00 148 M 8.31 4.34 0.00 2.02 1.64 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 149 F 7.26 5.19 0.00 3.11 2.95 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 0.00 150 G 7.97 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.62 4.89 0.00 2.01 1.73 0.00 1.63 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.09 7.81 152 I 8.65 5.16 2.14 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 1.37 0.84 1.23 0.00 0.00 153 V 9.39 4.66 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 1.06 0.00 0.00 0.95 0.00 0.00 154 V 9.14 5.35 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 0.64 0.00 0.00 0.93 0.00 0.00 155 K 8.45 4.21 0.00 1.77 1.72 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.