NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3171 8.3029 119.6866 55.8845 28.8038 176.1705 3 E 4.5594 8.1733 123.7850 54.0874 29.7905 173.8374 *5 E 4.3550 8.4435 120.4878 57.0549 32.9971 177.0305 6 D 4.3351 7.7498 118.5401 57.2435 41.2755 177.7883 7 L 3.9615 7.5906 120.3392 58.3569 41.9158 178.9390 8 L 4.0046 7.9193 118.2217 57.9942 41.5983 178.8173 9 Y 3.9410 8.4431 119.7680 60.6953 38.8032 177.8295 10 R 3.9333 8.6600 119.4300 59.3290 30.1542 178.7832 11 L 3.9718 8.0102 120.0176 57.8386 42.1890 178.9525 12 K 3.8025 7.5377 119.6753 59.5218 32.1292 179.0511 13 V 3.4562 7.3967 118.2900 65.5918 31.3723 177.8607 14 A 3.9173 7.9772 120.6593 55.2360 18.3116 178.9553 15 D 4.2892 8.1168 116.5662 57.5855 41.0802 178.2361 16 E 3.9429 8.0466 119.2713 59.4689 29.7635 178.9869 17 T 3.9011 7.9137 115.8665 66.5427 68.4888 176.8259 18 I 3.7286 8.2920 122.2872 64.3724 37.1755 178.5525 19 S 4.1263 8.0682 114.9761 61.6140 62.7404 176.2920 20 N 4.3099 7.9184 120.4065 55.8984 38.4771 177.1966 21 L 3.9748 7.8206 121.2738 57.9362 42.0534 178.8437 22 F 3.8836 8.6813 121.0683 61.3385 39.5525 176.7888 23 E 4.3168 8.2588 120.2886 58.7800 29.1478 178.9638 24 K 4.0517 7.8801 117.8407 59.2557 32.1756 178.9786 25 Q 4.2006 7.7475 117.0611 58.1161 29.0076 177.5464 26 L 4.2014 7.7063 117.5258 53.7957 42.2764 177.8582 27 G 4.0465 8.0972 106.2289 45.5864 0.0000 173.5015 28 I 4.7700 7.1417 119.4733 58.1798 41.4005 175.0700 29 S 4.3929 8.5682 118.6838 58.0387 64.9402 175.1465 30 L 3.1276 8.3795 124.3839 58.5256 41.7432 179.4957 31 T 3.7570 7.6865 114.8604 66.8395 68.5309 176.8174 32 R 3.9231 7.8362 119.5371 59.2513 30.0365 178.5230 33 Y 3.9089 8.5872 119.9533 60.7458 38.8245 178.3170 34 S 4.1915 8.3516 116.2076 61.4884 62.8688 176.5281 35 I 3.6682 7.7299 122.5591 64.4187 36.8600 178.4691 36 L 3.8829 7.7006 119.4921 57.9470 41.4523 179.6308 37 Q 3.9878 7.8738 117.9111 59.1043 28.5810 179.0964 38 T 3.8513 7.9377 116.7869 66.6179 68.5327 176.8364 39 L 3.9730 8.0536 121.0027 57.7776 41.4222 179.5452 40 L 4.0417 8.1520 118.3397 57.5434 41.5286 179.6223 41 K 4.1831 7.7324 117.2874 58.9281 32.2463 178.0788 42 D 4.8388 7.6576 115.2903 53.7577 41.3393 176.6659 43 A 4.0379 7.8216 122.6340 51.4502 18.8876 176.0869 44 P 4.2927 0.0000 0.0000 62.1438 32.3525 175.5080 45 L 4.6459 7.8099 122.9496 53.1265 44.9479 175.8054 46 H 4.7559 8.3721 118.0029 55.3798 30.0664 176.4555 47 Q 3.9594 8.4997 121.4081 59.2081 28.8291 178.7365 48 L 4.2332 8.1464 121.6934 58.1490 40.5708 178.9625 49 A 3.9499 7.9342 121.1725 54.8117 18.3900 179.1713 50 L 3.8599 7.7938 118.5732 58.4333 42.2488 179.0746 51 Q 3.9975 8.1770 118.0221 58.9687 28.6127 178.7457 52 E 4.0127 8.2223 120.1431 59.2248 29.5367 178.8409 53 R 4.0109 8.1832 117.1121 59.2643 30.3550 178.4360 54 L 4.2192 7.7398 114.8341 53.8946 42.9540 176.4176 55 Q 3.5186 7.6632 116.0921 56.5406 26.4472 173.3315 56 I 4.6686 7.7946 109.0445 58.0390 41.4272 175.7194 57 D 4.7114 8.5414 124.7343 53.5525 41.6329 178.1858 58 R 3.9382 8.4802 120.7906 61.5501 29.1543 177.9465 59 A 4.1809 8.0070 120.6379 54.8805 18.3163 179.5195 60 A 3.8722 7.8614 118.5168 55.3959 18.5010 179.9812 61 V 3.6020 7.7141 116.6282 66.5337 31.5760 178.3532 62 T 3.8632 7.9085 115.4285 66.5992 68.2402 176.6773 63 R 3.8840 7.7523 120.7657 59.6322 30.0817 178.3232 64 H 4.2533 8.4454 116.3547 59.0360 28.6958 177.9081 65 L 4.0678 8.3089 121.0108 57.4263 41.3436 179.5264 66 K 3.9803 8.1054 119.8549 59.5194 32.2942 178.9536 67 L 4.0594 7.8387 118.9321 57.8108 41.5278 179.5216 68 L 4.2218 8.2542 119.1259 57.6709 41.6425 179.1788 69 E 4.3549 8.6626 121.2447 58.5095 29.3769 178.1744 70 E 3.9897 8.1855 118.8928 59.2334 29.7444 178.1840 71 S 4.5260 7.8269 110.5680 57.9104 63.3506 174.6993 72 G 3.8249 7.5848 109.2249 46.6868 0.0000 174.4342 73 Y 4.6971 8.0860 119.8047 59.6190 39.1591 175.4319 74 I 5.3863 7.7943 111.0851 59.1262 41.8811 174.2292 75 I 5.1296 9.1322 116.4259 59.2704 40.7964 174.3791 76 R 5.4902 8.8818 120.2787 53.6039 32.0601 175.1713 77 K 4.4207 8.7305 118.0506 56.5492 34.3776 175.6480 *86 V 4.1807 7.5189 119.1178 62.9017 32.3764 174.4055 87 L 4.2351 8.2161 127.8814 53.9617 43.5299 176.1233 88 V 4.6749 8.0733 121.2383 60.9674 34.6298 174.3209 89 W 5.0723 9.4566 127.6283 54.1925 32.5410 173.3930 90 P 5.1563 0.0000 0.0000 62.7287 32.6995 175.5028 91 T 4.4431 8.6126 111.9128 60.4857 70.9247 175.4537 92 E 3.9849 8.7465 121.5010 59.2244 29.5006 178.2040 93 Q 3.9601 8.1648 119.1984 59.0954 29.0816 178.1733 94 A 4.2625 7.8755 121.6959 55.3541 18.4309 179.6587 95 R 3.8790 7.9702 116.9381 59.4142 30.0617 178.6276 96 E 3.9468 8.6531 118.6106 59.4261 29.3245 179.1376 97 A 4.0663 8.3072 119.7373 55.0161 18.5557 179.0022 98 L 4.3138 7.8420 115.7461 56.7042 42.2995 176.6371 99 I 4.3294 7.5848 115.1328 62.9952 40.0427 176.6273 100 T 4.0701 8.5954 117.6377 64.6089 68.2191 175.2574 101 N 5.0296 8.0424 119.2631 51.7180 39.3652 171.8389 102 P 4.7152 0.0000 0.0000 62.0549 33.1871 177.6652 103 S 4.3358 8.4339 114.3009 57.9989 65.0602 174.9193 104 A 3.9599 8.5560 124.8710 55.7623 17.9819 179.5867 105 H 4.0677 8.1214 115.8907 59.9581 30.0796 177.0945 106 H 4.1660 7.8311 117.9031 58.7365 28.3587 177.9356 107 Q 3.9623 8.3448 119.8110 59.0142 28.6399 178.5761 108 A 3.9610 8.0288 121.6746 55.1713 18.1231 179.8326 109 I 3.5544 7.6581 117.5168 64.5346 37.2957 178.5376 110 K 4.0841 7.7945 117.8655 59.6241 32.1859 179.3666 111 T 4.0694 8.1380 116.2527 66.4988 68.1499 177.7199 112 S 4.5986 7.5192 112.7732 58.4266 62.3926 174.5849 *114 N 4.6985 8.1811 118.6077 52.3464 39.9740 175.1261 115 Q 4.5018 7.5342 114.0832 55.9879 29.0712 177.7453 116 I 3.7222 7.8241 120.2985 64.2363 37.4157 176.0760 117 L 4.9085 7.4354 117.8685 52.6480 44.5657 176.9968 118 T 4.2690 8.7221 112.8652 61.0305 71.0969 176.1793 119 V 3.5664 8.1803 120.2836 66.0687 31.4946 177.1863 120 E 3.9111 8.2289 118.7824 59.5780 29.5118 178.6464 121 E 4.0463 8.0622 117.4746 59.1297 29.6168 179.0957 122 S 4.0723 8.0482 114.4253 61.4699 62.4972 175.9671 123 E 4.0453 8.6787 121.7874 59.3405 29.1481 179.1645 124 Q 3.9679 8.3567 119.8324 58.9689 29.1260 177.9512 125 F 4.0972 8.3104 121.7531 61.4861 39.4207 177.2192 126 L 3.9978 8.2251 118.3302 57.4567 41.3882 179.3683 127 A 3.9585 8.2214 121.1024 55.4836 18.3355 179.8727 128 T 3.8075 8.0072 114.3384 66.3464 68.4437 176.8411 129 L 3.7434 7.7569 122.3643 58.1357 42.0899 178.7727 130 D 4.2794 8.1671 118.9279 57.2229 40.7932 178.5747 131 K 3.8366 8.0195 120.0491 59.4319 32.0635 178.4542 132 L 3.9072 7.9266 120.3833 58.2662 42.0513 178.9854 133 L 3.9577 7.8715 118.8848 57.7474 41.5142 179.6477 134 I 3.8039 8.0192 120.0251 64.2284 36.8311 178.6519 135 G 3.6293 7.9045 105.3392 47.9447 0.0000 175.4541 136 L 4.1584 8.1865 121.8742 57.5200 41.3995 179.6005 137 Q 4.1818 8.1145 117.0421 58.1675 28.6932 177.2350 138 N 4.7273 7.6961 115.5534 52.1893 39.1219 175.3561 139 L 4.1481 6.8410 119.7760 53.7154 42.3431 175.2429 140 P 4.1064 0.0000 0.0000 64.3375 31.8563 176.4954 141 I 3.6115 8.4205 114.0828 61.5070 38.8734 173.5627 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 Q 8.30 4.32 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.23 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 3 E 8.17 4.56 0.00 1.98 1.91 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 2.31 1.93 0.00 *5 E 8.44 4.36 0.00 2.29 2.29 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 2.26 1.88 0.00 6 D 7.75 4.34 0.00 2.66 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 7 L 7.59 3.96 0.00 1.77 1.67 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.92 4.00 0.00 1.94 1.73 0.93 0.76 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 9 Y 8.44 3.94 0.00 3.17 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 10 R 8.66 3.93 0.00 2.00 2.01 0.00 3.40 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 11 L 8.01 3.97 0.00 1.95 1.81 0.96 0.27 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 12 K 7.54 3.80 0.00 1.65 1.50 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.33 7.81 13 V 7.40 3.46 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 0.93 0.00 0.00 0.59 0.00 0.00 14 A 7.98 3.92 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 15 D 8.12 4.29 0.00 2.86 2.81 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 16 E 8.05 3.94 0.00 2.07 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 2.30 2.34 0.00 17 T 7.91 3.90 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 1.21 0.00 0.00 18 I 8.29 3.73 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 0.89 0.00 0.00 19 S 8.07 4.13 0.00 4.06 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 0.00 20 N 7.92 4.31 0.00 2.72 2.92 0.00 0.00 6.70 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.82 3.97 0.00 2.06 1.84 0.92 0.70 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 22 F 8.68 3.88 0.00 3.15 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 23 E 8.26 4.32 0.00 2.29 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 0.00 2.36 2.30 0.00 24 K 7.88 4.05 0.00 1.90 1.85 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.49 7.81 25 Q 7.75 4.20 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 26 L 7.71 4.20 0.00 1.03 1.35 0.62 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.10 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 28 I 7.14 4.77 2.08 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.94 0.00 0.00 29 S 8.57 4.39 0.00 4.09 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 30 L 8.38 3.13 0.00 1.23 1.45 -0.25 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.69 3.76 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 0.93 0.00 0.00 32 R 7.84 3.92 0.00 1.93 1.99 0.00 3.20 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 33 Y 8.59 3.91 0.00 3.31 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 34 S 8.35 4.19 0.00 4.01 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 35 I 7.73 3.67 1.98 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 1.48 0.69 0.89 0.00 0.00 36 L 7.70 3.88 0.00 1.54 1.46 0.35 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.87 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 38 T 7.94 3.85 4.35 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 1.18 0.00 0.00 39 L 8.05 3.97 0.00 1.80 1.70 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.15 4.04 0.00 1.52 1.71 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.73 4.18 0.00 2.11 1.85 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.35 7.81 42 D 7.66 4.84 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.82 4.04 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 44 P 0.00 4.29 0.00 1.23 0.59 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.03 0.00 45 L 7.81 4.65 0.00 1.41 1.48 0.86 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.37 4.76 0.00 3.03 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.50 3.96 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 48 L 8.15 4.23 0.00 1.94 1.89 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.93 3.95 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 50 L 7.79 3.86 0.00 1.93 1.83 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.18 4.00 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 52 E 8.22 4.01 0.00 2.20 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 2.33 0.00 53 R 8.18 4.01 0.00 1.80 1.96 0.00 3.25 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 54 L 7.74 4.22 0.00 1.73 1.68 0.93 1.00 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 55 Q 7.66 3.52 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 56 I 7.79 4.67 1.89 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 1.35 0.62 0.98 0.00 0.00 57 D 8.54 4.71 0.00 2.89 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 58 R 8.48 3.94 0.00 1.84 1.99 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 59 A 8.01 4.18 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 60 A 7.86 3.87 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 0.00 0.00 0.00 0.00 0.00 61 V 7.71 3.60 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 1.12 0.00 0.00 1.00 0.00 0.00 62 T 7.91 3.86 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 1.22 0.00 0.00 63 R 7.75 3.88 0.00 1.88 2.00 0.00 3.07 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 64 H 8.45 4.25 0.00 3.35 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.31 4.07 0.00 1.76 1.75 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.11 3.98 0.00 2.01 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 67 L 7.84 4.06 0.00 1.95 1.77 0.96 1.10 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 68 L 8.25 4.22 0.00 1.92 1.83 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.66 4.35 0.00 2.20 1.98 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 2.34 2.40 0.00 70 E 8.19 3.99 0.00 2.15 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 0.00 2.35 2.35 0.00 71 S 7.83 4.53 0.00 4.08 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 0.00 72 G 7.58 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 73 Y 8.09 4.70 0.00 3.13 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 74 I 7.79 5.39 2.05 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 1.47 1.16 0.98 0.00 0.00 75 I 9.13 5.13 1.92 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 1.42 1.37 0.94 0.00 0.00 76 R 8.88 5.49 0.00 1.98 1.96 0.00 3.04 0.00 0.00 3.12 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.50 0.00 77 K 8.73 4.42 0.00 2.07 1.85 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 0.97 7.81 *86 V 7.52 4.18 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 1.20 0.00 0.00 0.95 0.00 0.00 87 L 8.22 4.24 0.00 1.19 0.37 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.07 4.67 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 0.99 0.00 0.00 0.88 0.00 0.00 89 W 9.46 5.07 0.00 3.30 2.91 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 90 P 0.00 5.16 0.00 2.13 2.08 0.00 3.94 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 2.05 2.05 0.00 91 T 8.61 4.44 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 1.30 0.00 0.00 92 E 8.75 3.98 0.00 2.10 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 2.38 2.56 0.00 93 Q 8.16 3.96 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 94 A 7.88 4.26 1.51 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 0.00 0.00 95 R 7.97 3.88 0.00 1.96 1.96 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 96 E 8.65 3.95 0.00 2.14 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 2.35 2.58 0.00 97 A 8.31 4.07 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.84 4.31 0.00 1.65 1.60 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.58 4.33 1.98 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 1.28 0.85 0.92 0.00 0.00 100 T 8.60 4.07 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 1.29 0.00 0.00 101 N 8.04 5.03 0.00 2.66 2.68 0.00 0.00 7.22 7.91 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 0.00 102 P 0.00 4.72 0.00 2.25 2.24 0.00 3.58 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 2.01 2.10 0.00 103 S 8.43 4.34 0.00 4.03 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 0.00 104 A 8.56 3.96 1.34 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 0.00 0.00 105 H 8.12 4.07 0.00 3.20 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.83 4.17 0.00 3.29 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.34 3.96 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 108 A 8.03 3.96 1.38 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 0.00 0.00 109 I 7.66 3.55 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 1.38 0.52 0.71 0.00 0.00 110 K 7.79 4.08 0.00 1.92 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.65 7.81 111 T 8.14 4.07 4.23 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 1.20 0.00 0.00 112 S 7.52 4.60 0.00 3.91 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 *114 N 8.18 4.70 0.00 2.77 2.91 0.00 0.00 7.05 7.69 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 0.00 115 Q 7.53 4.50 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.29 0.00 116 I 7.82 3.72 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.85 0.00 0.00 117 L 7.44 4.91 0.00 1.53 1.49 0.68 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.72 4.27 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 0.00 119 V 8.18 3.57 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 1.03 0.00 0.00 0.94 0.00 0.00 120 E 8.23 3.91 0.00 2.08 1.94 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 2.39 2.39 0.00 121 E 8.06 4.05 0.00 2.22 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 0.00 2.49 2.29 0.00 122 S 8.05 4.07 0.00 4.00 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 0.00 123 E 8.68 4.05 0.00 2.22 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 0.00 2.35 2.48 0.00 124 Q 8.36 3.97 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 125 F 8.31 4.10 0.00 3.31 3.22 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 0.00 126 L 8.23 4.00 0.00 1.80 1.72 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.22 3.96 1.38 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 0.00 0.00 128 T 8.01 3.81 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 1.12 0.00 0.00 129 L 7.76 3.74 0.00 1.50 1.68 0.75 1.09 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 0.00 130 D 8.17 4.28 0.00 2.91 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 0.00 131 K 8.02 3.84 0.00 1.92 1.94 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 132 L 7.93 3.91 0.00 1.86 1.77 0.89 0.46 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 0.00 133 L 7.87 3.96 0.00 1.85 1.67 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.02 3.80 1.97 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 1.65 1.13 0.90 0.00 0.00 135 G 7.90 3.63 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 0.00 0.00 0.00 136 L 8.19 4.16 0.00 1.68 1.72 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.11 4.18 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.06 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 138 N 7.70 4.73 0.00 2.83 2.83 0.00 0.00 7.02 7.25 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 0.00 139 L 6.84 4.15 0.00 1.68 1.60 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.11 0.00 2.03 2.02 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 141 I 8.42 3.61 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 1.27 0.42 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.