NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4222 8.1776 115.2922 58.3832 62.6320 173.7546 2 T 4.1877 8.6057 116.8788 62.0145 69.0319 173.3695 3 L 4.6087 8.6003 124.8599 56.0766 44.4667 178.4414 4 K 4.8409 7.1381 116.2100 54.3593 33.0101 176.6280 5 G 3.4869 6.8733 106.2610 46.3359 0.0000 170.5720 6 A 4.6001 7.2574 119.1682 51.1535 22.4054 176.0080 7 L 4.6833 8.2935 120.3218 53.7335 45.6052 174.6350 8 S 5.8265 9.0855 120.5006 55.3715 65.0727 173.0375 9 V 4.6320 8.5697 126.0177 59.7428 34.3007 174.1862 10 K 4.7920 8.7045 124.2673 54.6347 34.6869 174.6970 11 F 5.0219 7.8371 119.7519 56.1666 41.9821 172.3763 12 D 5.4648 8.8757 117.7662 52.6846 43.5064 176.5608 13 V 4.4499 8.6518 114.2599 59.4576 34.9386 177.1886 14 K 3.8662 9.9768 125.3128 59.6396 32.1984 177.5857 15 C 4.6706 7.8208 114.4854 58.0188 29.1447 172.3701 16 P 4.2917 0.0000 0.0000 63.1235 32.6932 177.6689 17 A 4.1270 8.6270 122.6771 55.4494 18.0353 179.8703 18 D 4.3852 8.2078 117.1010 57.3230 40.9477 178.4157 19 K 4.0139 8.0967 119.0720 58.3343 32.5349 178.3976 20 F 4.1097 8.0285 121.3618 61.1758 39.4276 176.7363 21 F 4.2795 8.8008 120.4215 61.6566 39.2976 177.0554 22 S 4.0637 7.9355 114.1236 61.7368 62.6571 176.7494 23 A 3.9904 8.1686 123.2794 54.9741 17.9603 179.5550 24 F 4.2247 8.0489 119.2315 61.4658 39.2876 177.5101 25 V 3.0560 7.7002 116.9671 65.8237 31.4965 177.3175 26 E 3.9615 8.1314 119.0238 59.1939 29.5574 178.1258 27 D 4.4179 8.0774 117.6932 56.5101 41.0873 177.4778 28 T 3.8789 7.1053 108.5458 63.5432 68.9102 175.7647 29 N 4.4141 7.7603 119.3493 54.6469 38.6724 175.0827 30 R 4.1843 7.0214 119.9384 53.9738 30.9481 174.8092 31 P 4.2386 0.0000 0.0000 63.0706 31.8815 175.7984 32 F 4.7467 8.1684 116.8231 56.5857 39.2250 175.3591 33 E 4.8031 7.7236 118.0422 55.6335 30.8336 176.4235 34 K 3.7475 8.7665 119.8933 59.9311 32.2378 177.6284 35 N 4.8890 7.9248 114.2301 53.2507 39.2350 175.1872 36 G 3.9811 7.8732 105.9731 46.2856 0.0000 174.1103 37 K 4.6912 9.5804 125.3776 54.9310 34.6759 175.5307 38 T 5.4821 8.4328 123.1357 61.6755 71.9409 173.5379 39 E 4.5971 8.2449 122.0288 55.3845 33.3067 174.0883 40 I 4.3645 8.5526 128.3555 61.4503 36.6844 175.2732 41 E 4.4525 9.0777 127.8035 58.0651 30.4441 177.0952 42 A 4.8471 7.8436 118.6061 50.9384 22.0926 176.0921 43 V 4.8414 8.1765 118.9506 60.9631 34.6235 173.2289 44 D 4.5130 9.4326 123.1034 52.8199 43.7478 175.0726 45 L 4.4001 8.7524 124.8374 55.3680 41.6129 177.6293 46 V 4.1086 8.2339 118.3251 64.6713 32.5691 177.3293 47 K 3.9499 8.0372 116.6055 56.6433 33.1362 176.4835 48 K 2.0000 7.5576 118.1572 56.7646 28.9573 173.6506 49 T 5.4916 6.2108 108.8431 58.9324 73.8011 174.5049 *51 T 4.7561 8.2225 117.1241 63.4894 70.1434 173.3148 52 I 5.1627 8.9518 119.2382 59.3516 41.4406 174.9505 53 Q 4.6554 9.0523 126.2710 54.8953 31.8542 173.8885 *55 S 4.6653 8.3539 114.4150 57.5892 64.9365 173.1552 56 G 4.8067 8.3028 112.3192 45.6026 0.0000 173.9589 57 S 4.1054 8.6797 116.4224 60.6730 62.8998 175.6983 58 E 4.3299 8.6119 121.6422 58.5902 29.6470 177.9162 59 I 4.0646 8.7677 119.0886 63.4698 37.8272 176.9102 60 Q 4.6061 8.3273 119.2134 57.1153 28.8703 176.6047 61 K 3.8886 8.4886 118.0851 58.6092 32.5251 176.8497 62 Y 4.0753 7.6709 115.0318 58.1051 40.6723 175.1230 63 F 5.1227 7.8247 118.0239 55.3267 40.7819 175.3298 64 K 4.4943 8.7453 125.4622 58.5605 33.6132 177.2902 65 T 4.7077 8.2996 117.6925 61.8489 72.4626 172.9324 66 L 5.0522 8.6403 128.2742 53.6521 45.0670 175.1014 67 K 4.9942 9.1883 125.2029 54.6425 36.5227 175.3161 68 G 4.3561 9.2682 110.3945 44.8778 0.0000 171.8221 69 S 5.0767 7.4242 120.9757 56.6511 65.7712 173.0924 70 I 5.0963 8.7146 124.3112 59.7389 41.3487 174.4572 71 A 4.7860 8.5705 128.4021 51.2468 21.9282 175.3382 72 V 4.7342 8.3111 122.8918 62.0160 33.9804 175.5899 73 T 4.5720 8.5069 116.1355 59.3849 71.7463 171.4343 74 P 4.1260 0.0000 0.0000 63.7424 31.5651 175.2277 75 I 3.6771 9.2872 125.4051 60.8656 36.0377 180.3207 76 G 4.0008 7.9486 118.0424 45.8984 0.0000 175.1020 77 V 3.9441 8.5962 126.1610 61.7137 31.0765 176.0972 78 G 3.9169 8.5538 119.0616 46.9553 0.0000 172.0762 79 D 4.6246 8.1972 112.8250 53.5686 43.4574 175.1679 80 G 4.1779 8.8593 106.0963 45.4590 0.0000 172.3890 81 S 4.7511 8.7036 111.5774 57.7473 66.6761 174.3633 82 H 4.9465 9.1025 118.6837 55.8647 30.2935 175.6554 83 V 4.3895 7.9127 120.4482 62.2140 33.3445 172.6839 84 V 4.2605 8.2112 127.8665 61.5100 33.2351 174.3678 85 W 5.5552 9.1918 135.0000 56.1914 34.5506 173.9058 86 T 5.2738 6.6763 119.9369 60.4277 73.0015 173.5060 87 F 5.8868 7.5639 119.7257 58.9975 39.9144 175.4212 88 H 4.0309 7.2920 118.2754 54.0853 28.3203 174.4314 89 F 5.4818 8.2137 119.3826 55.0644 41.9607 174.5358 90 E 5.0739 9.5848 120.2178 55.2203 31.6135 174.6103 91 K 4.7912 8.9950 126.7185 56.4647 32.7323 178.3762 92 V 3.9698 8.1416 115.5416 64.2886 31.9393 176.8201 93 H 5.0197 7.6615 114.1030 52.9998 31.4897 174.0856 94 K 3.9616 8.8488 119.9545 59.9349 32.1755 177.4621 95 D 4.5925 8.1460 117.3093 55.3077 41.2888 176.6946 96 I 3.7534 7.3353 120.9881 61.1653 37.5496 175.8340 97 D 4.6084 8.3475 124.0153 53.8434 41.5063 176.1694 98 D 4.3485 8.4219 121.9398 53.5472 41.7814 177.2825 99 P 4.5474 0.0000 0.0000 62.6167 30.3967 178.4780 100 H 4.2189 8.2206 117.5133 60.1768 29.0357 177.0367 101 S 4.3269 7.9901 116.2015 61.0439 62.8655 176.4661 102 I 3.7999 7.6961 122.0660 63.6508 36.8252 177.6258 103 I 4.2967 8.0205 119.3585 63.2617 38.1807 177.0979 104 D 4.3972 8.1378 119.0285 57.4484 41.0482 178.1884 105 E 4.0025 8.1932 118.7058 59.2938 29.3299 179.3896 106 S 3.8395 7.8144 115.3898 61.4888 62.8756 176.8239 107 V 3.4135 8.1755 121.2434 65.8585 31.2893 178.1613 108 K 3.8564 7.8491 118.1425 59.6821 31.9115 178.5388 109 Y 3.9564 8.2674 120.0294 60.8132 38.5035 178.3434 110 F 4.3778 8.2048 118.8884 60.3360 38.9155 177.9205 111 K 4.0214 8.5280 118.6665 59.3682 31.7967 179.4922 112 K 3.9814 7.9314 118.6002 59.0421 31.6620 179.0901 113 L 3.8880 7.6553 120.3646 57.4306 41.8496 178.4059 114 D 4.4897 8.0507 117.9599 57.2913 41.4548 178.0593 115 E 4.0345 8.0397 118.9374 59.1563 29.1801 179.2027 116 A 4.0365 7.9722 120.6654 54.7887 18.7163 179.5300 117 I 3.9274 7.4305 111.4213 64.2791 37.6883 177.9867 118 L 4.0293 7.8370 121.3672 56.9563 41.9926 177.9331 119 N 5.1103 7.5620 114.6693 52.3913 40.1933 174.5541 120 F 4.3025 8.1432 128.0443 59.0470 40.2792 173.0577 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 S 8.18 4.42 0.00 3.88 3.85 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 2 T 8.61 4.19 4.28 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 1.24 0.00 0.00 3 L 8.60 4.61 0.00 1.72 1.81 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.14 4.84 0.00 1.69 1.63 0.00 1.79 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.59 1.35 7.81 5 G 6.87 3.49 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 0.00 0.00 0.00 6 A 7.26 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.29 4.68 0.00 1.87 1.61 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.09 5.83 0.00 3.78 3.65 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 9 V 8.57 4.63 2.24 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 1.17 0.00 0.00 1.14 0.00 0.00 10 K 8.70 4.79 0.00 1.69 1.67 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.23 7.81 11 F 7.84 5.02 0.00 3.15 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 12 D 8.88 5.46 0.00 2.58 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 13 V 8.65 4.45 1.76 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 0.23 0.00 0.00 0.38 0.00 0.00 14 K 9.98 3.87 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 15 C 7.82 4.67 0.00 3.11 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 16 P 0.00 4.29 0.00 2.19 2.01 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 17 A 8.63 4.13 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 18 D 8.21 4.39 0.00 2.76 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 19 K 8.10 4.01 0.00 1.90 1.90 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.55 7.81 20 F 8.03 4.11 0.00 3.34 3.31 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 21 F 8.80 4.28 0.00 3.24 3.25 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 22 S 7.94 4.06 0.00 4.02 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 23 A 8.17 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 4.22 0.00 2.91 3.08 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 0.00 0.00 0.00 0.00 25 V 7.70 3.06 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 0.68 0.00 0.00 -0.06 0.00 0.00 26 E 8.13 3.96 0.00 2.17 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 2.28 2.31 0.00 27 D 8.08 4.42 0.00 2.99 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 28 T 7.11 3.88 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 0.58 0.00 0.00 29 N 7.76 4.41 0.00 2.77 2.85 0.00 0.00 6.93 7.67 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 30 R 7.02 4.18 0.00 1.70 1.64 0.00 3.11 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 31 P 0.00 4.24 0.00 2.06 2.03 0.00 3.54 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 1.97 2.04 0.00 32 F 8.17 4.75 0.00 3.06 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 33 E 7.72 4.80 0.00 2.14 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 0.00 2.18 2.24 0.00 34 K 8.77 3.75 0.00 1.74 1.90 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.50 7.81 35 N 7.92 4.89 0.00 2.81 2.81 0.00 0.00 6.83 7.70 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 36 G 7.87 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 37 K 9.58 4.69 0.00 1.70 1.69 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.41 7.81 38 T 8.43 5.48 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 1.28 0.00 0.00 39 E 8.24 4.60 0.00 2.09 1.79 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 2.31 2.42 0.00 40 I 8.55 4.36 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 1.35 0.65 0.96 0.00 0.00 41 E 9.08 4.45 0.00 2.01 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 2.34 2.43 0.00 42 A 7.84 4.85 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 43 V 8.18 4.84 2.20 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 0.69 0.00 0.00 1.26 0.00 0.00 44 D 9.43 4.51 0.00 2.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.75 4.40 0.00 1.75 1.80 1.07 1.01 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 46 V 8.23 4.11 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 0.76 0.00 0.00 0.93 0.00 0.00 47 K 8.04 3.95 0.00 1.68 1.75 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.41 7.81 48 K 7.56 2.00 0.00 1.76 1.37 0.00 1.41 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.14 7.81 49 T 6.21 5.49 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 1.14 0.00 0.00 *51 T 8.22 4.76 4.28 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 1.22 0.00 0.00 52 I 8.95 5.16 2.03 0.00 0.00 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 1.71 1.63 1.04 0.00 0.00 53 Q 9.05 4.66 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.45 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 *55 S 8.35 4.67 0.00 4.02 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 56 G 8.30 4.81 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 57 S 8.68 4.11 0.00 4.00 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 58 E 8.61 4.33 0.00 2.36 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 2.53 2.48 0.00 59 I 8.77 4.06 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 1.05 0.00 0.00 60 Q 8.33 4.61 0.00 2.44 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 61 K 8.49 3.89 0.00 1.29 1.22 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.75 7.81 62 Y 7.67 4.08 0.00 2.03 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 0.00 0.00 0.00 63 F 7.82 5.12 0.00 3.01 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 64 K 8.75 4.49 0.00 1.81 1.98 0.00 1.16 0.00 0.00 2.40 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.70 1.39 7.81 65 T 8.30 4.71 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 1.26 0.00 0.00 66 L 8.64 5.05 0.00 1.60 1.54 0.53 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 K 9.19 4.99 0.00 1.78 1.71 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.39 7.81 68 G 9.27 4.36 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 0.00 69 S 7.42 5.08 0.00 3.60 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 70 I 8.71 5.10 2.60 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 1.54 0.00 0.00 71 A 8.57 4.79 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 72 V 8.31 4.73 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 0.90 0.00 0.00 1.24 0.00 0.00 73 T 8.51 4.57 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 1.16 0.00 0.00 74 P 0.00 4.13 0.00 1.92 2.01 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 75 I 9.29 3.68 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.26 0.83 0.00 0.00 76 G 7.95 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 77 V 8.60 3.94 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 0.79 0.00 0.00 0.92 0.00 0.00 78 G 8.55 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 0.00 0.00 0.00 79 D 8.20 4.62 0.00 2.58 2.59 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 80 G 8.86 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 81 S 8.70 4.75 0.00 3.79 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 82 H 9.10 4.95 0.00 2.94 3.04 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.91 4.39 0.78 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 0.17 0.00 0.00 0.33 0.00 0.00 84 V 8.21 4.26 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 0.86 0.00 0.00 0.81 0.00 0.00 85 W 9.19 5.56 0.00 3.38 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 86 T 6.68 5.27 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 0.82 0.00 0.00 87 F 7.56 5.89 0.00 2.86 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 88 H 7.29 4.03 0.00 3.04 3.15 0.00 5.57 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.21 5.48 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 90 E 9.58 5.07 0.00 2.09 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 2.29 2.36 0.00 91 K 9.00 4.79 0.00 1.79 1.63 0.00 1.86 0.00 0.00 1.80 0.00 0.00 2.55 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.77 7.81 92 V 8.14 3.97 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 0.60 0.00 0.00 0.81 0.00 0.00 93 H 7.66 5.02 0.00 3.28 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.85 3.96 0.00 1.93 2.06 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.53 7.81 95 D 8.15 4.59 0.00 2.83 2.82 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 96 I 7.34 3.75 1.68 0.00 0.00 0.60 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 0.54 0.56 0.00 0.00 97 D 8.35 4.61 0.00 2.66 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 98 D 8.42 4.35 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.06 1.68 0.00 3.38 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.70 0.00 100 H 8.22 4.22 0.00 3.22 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.99 4.33 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 0.00 102 I 7.70 3.80 1.66 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 1.37 1.07 0.57 0.00 0.00 103 I 8.02 4.30 2.31 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 1.10 0.00 0.00 104 D 8.14 4.40 0.00 3.05 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 0.00 105 E 8.19 4.00 0.00 2.09 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 2.54 2.48 0.00 106 S 7.81 3.84 0.00 4.00 3.38 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 0.00 107 V 8.18 3.41 2.17 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 0.51 0.00 0.00 0.95 0.00 0.00 108 K 7.85 3.86 0.00 2.01 1.81 0.00 1.89 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.69 7.81 109 Y 8.27 3.96 0.00 2.77 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 0.00 110 F 8.20 4.38 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 0.00 111 K 8.53 4.02 0.00 1.78 1.82 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.62 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 112 K 7.93 3.98 0.00 1.82 1.74 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.38 7.81 113 L 7.66 3.89 0.00 1.33 1.75 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.05 4.49 0.00 3.11 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 0.00 115 E 8.04 4.03 0.00 1.99 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 2.52 2.46 0.00 116 A 7.97 4.04 1.30 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 0.00 117 I 7.43 3.93 1.98 0.00 0.00 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 1.72 0.72 1.03 0.00 0.00 118 L 7.84 4.03 0.00 1.83 1.99 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.56 5.11 0.00 2.88 2.85 0.00 0.00 6.83 7.30 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 0.00 120 F 8.14 4.30 0.00 2.92 3.03 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 * Residues marked with a * may have inaccurate shift predictions.