NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6142 8.4249 118.0981 52.7390 40.6075 174.5753 2 F 5.0714 7.7436 116.2714 56.4801 39.4932 173.9756 3 N 4.3411 7.9783 118.1406 54.2105 39.9260 174.2343 4 R 4.6367 7.8873 116.2577 55.1551 32.6734 174.0814 5 F 5.2169 8.7284 120.5749 57.0098 40.3477 175.6644 6 T 4.1629 9.1634 112.5804 61.6221 69.8354 175.3463 7 Q 4.0031 8.9266 121.4326 59.5817 28.6578 179.7571 8 R 3.9518 8.0126 118.1175 59.0734 30.1534 178.8505 9 A 4.0186 8.1255 120.7583 54.9689 18.3663 179.7740 10 K 3.7667 8.3165 117.2576 59.4236 32.0387 179.4416 11 K 3.8784 8.2214 119.6286 59.3522 32.1234 178.6235 12 A 4.1138 8.1146 121.0530 55.3198 18.3021 179.6491 13 I 3.6811 7.7597 118.1862 64.6888 37.1277 178.2837 14 D 4.3876 8.2636 119.7664 57.5983 40.6162 179.0671 15 L 4.0329 8.3548 119.2564 57.3608 41.5548 179.4523 16 A 4.1206 8.0264 121.1026 55.2258 18.3740 179.6726 17 F 3.9016 8.4118 116.3841 60.6430 38.9928 177.5608 18 E 4.0014 8.5619 119.0750 59.2742 29.5315 179.0497 19 S 4.0820 8.5574 115.4367 61.4571 62.8751 176.3414 20 A 3.7947 7.8831 123.3179 55.1410 18.0930 179.6726 21 K 3.8344 8.0215 116.7538 59.9177 31.9445 179.4579 22 S 4.4413 7.8220 113.8406 61.6155 63.0511 176.0590 23 L 4.3351 7.7195 118.8793 53.7373 41.3574 177.2244 24 G 4.0914 7.8446 106.8823 44.8101 0.0000 173.3892 25 H 4.8855 8.4060 117.5920 53.9503 30.3507 174.7731 26 N 4.8042 8.6790 120.7876 52.9184 38.7933 174.1247 27 I 4.8666 7.4452 120.5050 59.5947 40.2622 175.0644 28 V 3.6309 8.8701 128.3958 62.2574 32.5593 175.5591 29 G 4.6451 8.8998 115.9440 43.9810 0.0000 173.6133 30 S 4.2823 8.6388 114.0462 61.3470 62.1681 176.2549 31 E 3.8537 7.9950 120.8195 59.5708 29.3535 178.7784 32 H 4.2638 7.8804 116.6628 58.4690 28.8088 177.5703 33 I 3.6677 7.5950 121.2621 64.2547 36.9365 178.0731 34 L 3.8796 8.1306 121.4515 58.1897 41.7920 178.8791 35 L 4.0401 8.0424 120.3480 57.9078 42.0663 179.0575 36 G 3.6391 8.5409 106.1537 47.8059 0.0000 175.5755 37 L 4.0003 8.0293 120.8088 57.3492 42.0612 179.1781 38 L 4.1083 7.8975 120.1460 58.3987 41.9228 179.3337 39 R 4.1734 8.1151 116.7649 59.0738 29.9845 178.3910 40 E 3.9481 7.8933 118.3433 57.2114 29.5760 177.1176 41 E 4.3456 7.9976 121.8429 56.9399 28.7823 175.5804 42 E 4.1411 8.0363 115.5200 58.4066 30.2565 177.8593 43 G 3.9475 8.5384 105.9157 43.5188 0.0000 174.4641 44 I 3.6976 8.3305 120.4734 64.5043 36.9702 178.5238 45 A 3.9898 8.0531 121.0547 55.1370 18.1885 179.5310 46 A 3.9608 7.9529 118.7647 55.3230 18.5293 179.9062 47 K 3.9586 8.0958 117.0653 59.3126 32.1075 179.8000 48 V 3.5922 8.3153 118.9503 66.1538 31.5536 178.1720 49 L 4.2401 8.1383 118.7865 57.9385 41.3246 179.5406 50 S 4.3643 8.4087 113.2883 61.1242 62.0909 176.0997 51 K 3.9512 7.9451 121.7611 59.4261 32.0865 178.7205 52 V 3.8379 7.6912 110.5306 61.5062 31.7754 176.2643 53 G 3.6132 7.1742 105.4524 45.0909 0.0000 174.5978 54 F 4.3473 7.7492 119.6235 57.3888 39.8012 175.1979 55 T 4.8248 8.2704 113.1583 59.4267 72.9083 175.0124 56 E 3.9834 8.7306 120.5827 59.6295 29.4518 179.4768 57 A 4.0097 8.0551 120.2161 55.2344 18.4674 178.8463 58 Y 3.9737 8.1622 117.9347 60.8420 38.9310 178.1895 59 L 3.9327 8.0840 119.6681 57.9055 41.7151 179.1630 60 E 4.0007 8.3294 118.5698 59.5521 29.4094 179.7284 61 G 3.5549 8.1035 105.4179 47.9100 0.0000 175.8474 62 K 3.9203 7.5753 119.8540 58.8626 32.0045 179.3406 63 I 3.7422 7.5179 119.3959 64.3239 37.2837 178.2355 64 V 3.7587 7.8644 119.1590 66.0479 31.1127 177.5702 65 D 4.2739 7.8693 114.5748 56.1097 40.9091 177.2851 *67 E 4.0668 8.1189 119.2920 54.7305 31.3708 176.7865 68 G 3.9795 8.5681 106.8641 44.5453 0.0000 172.3553 69 K 4.8302 8.1925 116.2112 55.3372 35.7183 175.8445 70 G 4.3761 8.6275 109.0391 44.4106 0.0000 172.0986 71 E 4.3898 8.6263 118.0116 55.7847 30.8438 177.0268 72 E 4.2106 8.7208 121.3425 56.9111 30.1543 176.7160 73 I 4.4271 8.1408 123.4392 59.9297 38.8462 175.7301 74 S 4.5348 8.5092 118.2167 58.9530 64.4855 174.1972 75 E 4.3530 7.8248 118.1632 54.9532 30.8693 175.5231 76 D 4.5679 8.3811 118.7544 54.3566 41.3102 175.5437 77 I 4.8667 8.1476 114.9681 59.3518 41.3913 174.2957 78 V 4.7791 8.2719 113.1522 59.4342 36.1200 175.4221 79 L 4.5617 8.5880 123.1587 54.6315 42.3792 177.3065 80 S 4.3697 8.7622 118.1292 57.3928 64.3590 173.5612 81 P 4.2239 0.0000 0.0000 65.7052 30.9705 179.0135 82 R 3.9041 7.9071 117.0798 59.3846 29.5906 178.4454 83 S 4.1297 8.0324 115.0078 61.7058 62.8416 176.8721 84 K 4.0787 8.2920 121.1359 59.6245 31.7798 179.4554 85 Q 4.0239 8.5278 118.6784 58.9276 28.5409 178.7630 86 I 3.7793 8.2712 121.2307 64.5312 37.0519 178.5283 87 L 4.2039 8.1946 119.7621 57.7174 41.2487 179.0631 88 E 3.9494 8.2188 118.3828 59.3619 29.6616 178.3378 89 L 4.0589 8.2787 119.6809 58.0854 42.3958 178.6273 90 S 4.8448 8.7651 114.8777 61.4023 62.7189 177.4446 91 G 3.4328 7.8331 107.7611 44.7212 0.0000 175.3973 *93 F 4.7089 8.1020 120.8875 57.1819 41.1448 177.5211 94 A 3.8991 8.0676 123.2474 55.2017 18.6089 179.4748 95 N 4.3656 8.5568 113.7374 56.2217 38.9319 177.7849 96 K 3.9581 8.1051 116.6780 59.4715 32.1739 177.8002 97 L 4.2187 8.2563 115.8883 54.3137 42.0123 176.3666 98 K 3.8106 7.4573 119.2118 57.7717 31.0256 174.5134 99 T 4.6292 7.8929 113.2693 61.9041 70.7344 175.4761 100 N 4.1979 8.2966 121.2362 55.0328 38.9570 175.0621 101 Y 4.9303 7.3315 114.7477 56.0199 41.5620 175.2843 102 I 4.0105 9.3295 126.2452 60.9665 38.3942 176.1103 103 G 4.4178 8.9948 115.3503 44.7527 0.0000 173.7238 104 T 4.0890 8.7028 109.9051 64.9166 68.1773 176.0791 105 E 3.9320 8.1169 119.8612 59.6222 29.6591 178.7757 106 H 4.1659 8.0379 116.6815 58.5166 28.7095 177.9004 107 I 3.8459 7.8034 121.2859 64.3474 37.0922 178.0975 108 L 3.9362 8.0868 121.2649 57.8461 41.8094 178.4733 109 L 3.7231 8.1384 120.5352 58.2293 41.7695 179.0045 110 A 4.3470 8.0811 120.4823 55.1165 18.2053 179.4925 111 I 3.6677 7.9723 118.4519 64.7390 37.0282 178.6356 112 I 3.7431 7.5437 118.7924 64.6349 37.0538 178.1604 113 Q 4.2378 8.2491 117.8098 59.0786 28.6313 178.3116 114 E 4.0931 8.3385 119.7868 57.6091 29.7731 178.1206 115 G 4.0627 8.2194 106.3070 45.1557 0.0000 172.0656 116 E 4.6824 8.4533 118.0896 54.5860 32.9198 176.1092 117 G 4.0639 8.5342 103.6778 46.1204 0.0000 174.6925 118 I 3.7027 8.1058 118.7398 63.9563 36.9538 178.5498 119 A 3.9164 7.8932 121.7060 55.4550 18.2426 179.5415 120 N 4.3528 8.1028 114.3326 56.2296 38.5672 177.6387 121 K 4.0814 8.0423 119.9460 59.5120 32.1320 179.4708 122 I 3.8261 8.0273 120.1589 64.3353 37.0607 178.3903 123 L 4.3047 8.1316 119.8947 58.0705 41.5034 179.4305 124 N 4.4069 8.8174 116.7380 56.4441 38.2719 176.7942 125 Y 4.0206 8.2888 119.9306 60.7214 39.0560 177.7704 126 A 4.3268 8.3870 119.5531 52.7715 18.5241 178.1669 127 G 3.8623 7.9596 105.0122 46.2459 0.0000 174.4333 128 V 4.4127 7.7451 110.9361 60.5813 32.7518 177.5405 129 N 4.3325 8.4794 119.8760 57.2882 38.8435 176.4736 130 D 4.4580 8.0557 119.5055 57.1179 40.9530 178.8770 131 R 3.9684 7.9373 118.4937 59.3251 30.0394 178.9543 132 T 3.8796 8.2355 115.8671 66.4925 68.4172 176.2755 133 L 3.8908 7.9225 122.0043 58.1507 42.0208 178.8314 134 A 3.9565 8.0495 120.4817 55.3775 18.3176 179.4499 135 Q 3.8816 8.2536 118.1254 59.1259 28.8714 178.1584 136 L 3.9300 7.9586 120.8172 58.3747 42.2119 178.7856 137 T 4.0072 7.9336 115.1933 66.5852 68.4753 176.4715 138 I 3.9123 7.7680 114.0936 63.4430 39.0521 177.6155 139 D 4.6911 7.9339 120.9727 53.9631 36.4389 176.5966 *142 G 3.7371 7.7519 111.4208 45.7606 0.0000 170.9711 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 N 8.42 4.61 0.00 2.26 2.67 0.00 0.00 6.82 6.56 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 2 F 7.74 5.07 0.00 3.08 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 3 N 7.98 4.34 0.00 2.62 2.61 0.00 0.00 6.91 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 4 R 7.89 4.64 0.00 1.92 2.01 0.00 3.00 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 5 F 8.73 5.22 0.00 3.03 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 6 T 9.16 4.16 4.27 0.00 0.00 0.00 0.00 0.00 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 7 Q 8.93 4.00 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 8 R 8.01 3.95 0.00 1.87 2.09 0.00 3.13 0.00 0.00 3.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 9 A 8.13 4.02 1.49 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 10 K 8.32 3.77 0.00 2.00 1.86 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.50 1.67 7.81 11 K 8.22 3.88 0.00 1.87 1.98 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 12 A 8.11 4.11 1.36 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 13 I 7.76 3.68 1.87 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 1.02 0.00 0.00 14 D 8.26 4.39 0.00 2.83 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 15 L 8.35 4.03 0.00 1.85 1.73 0.91 1.25 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 16 A 8.03 4.12 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 17 F 8.41 3.90 0.00 3.26 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 18 E 8.56 4.00 0.00 2.15 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 0.00 2.32 2.36 0.00 19 S 8.56 4.08 0.00 4.07 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 20 A 7.88 3.79 1.07 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 0.00 0.00 21 K 8.02 3.83 0.00 2.01 2.01 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.71 7.81 22 S 7.82 4.44 0.00 4.03 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 23 L 7.72 4.34 0.00 1.44 1.31 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.84 4.09 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 0.00 0.00 0.00 25 H 8.41 4.89 0.00 3.11 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.68 4.80 0.00 2.84 3.04 0.00 0.00 6.02 7.51 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 27 I 7.45 4.87 1.83 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 1.21 0.66 0.87 0.00 0.00 28 V 8.87 3.63 1.57 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 0.56 0.00 0.00 -0.04 0.00 0.00 29 G 8.90 4.65 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 0.00 0.00 0.00 30 S 8.64 4.28 0.00 4.04 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 31 E 8.00 3.85 0.00 2.05 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 0.00 1.98 2.21 0.00 32 H 7.88 4.26 0.00 3.20 3.46 0.00 5.63 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 33 I 7.59 3.67 1.99 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 1.38 0.79 0.90 0.00 0.00 34 L 8.13 3.88 0.00 1.76 1.74 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.04 4.04 0.00 1.77 1.79 0.92 0.92 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 36 G 8.54 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.00 0.00 1.75 1.74 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.90 4.11 0.00 1.77 1.80 0.98 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 39 R 8.12 4.17 0.00 1.86 1.99 0.00 3.23 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.79 0.00 40 E 7.89 3.95 0.00 2.12 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 0.00 2.33 2.71 0.00 41 E 8.00 4.35 0.00 2.23 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 0.00 2.23 2.51 0.00 42 E 8.04 4.14 0.00 2.17 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 2.30 2.30 0.00 43 G 8.54 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 44 I 8.33 3.70 1.86 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 1.57 0.49 0.89 0.00 0.00 45 A 8.05 3.99 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 46 A 7.95 3.96 1.45 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 0.00 0.00 47 K 8.10 3.96 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.69 1.59 7.81 48 V 8.32 3.59 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 1.06 0.00 0.00 1.07 0.00 0.00 49 L 8.14 4.24 0.00 1.81 1.88 0.88 0.65 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 50 S 8.41 4.36 0.00 3.93 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 51 K 7.95 3.95 0.00 1.90 2.00 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.51 7.81 52 V 7.69 3.84 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 0.83 0.00 0.00 0.97 0.00 0.00 53 G 7.17 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 54 F 7.75 4.35 0.00 3.22 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 55 T 8.27 4.82 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 1.25 0.00 0.00 56 E 8.73 3.98 0.00 2.07 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 0.00 2.43 2.42 0.00 57 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 58 Y 8.16 3.97 0.00 3.21 3.26 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 0.00 59 L 8.08 3.93 0.00 1.93 1.66 0.80 0.64 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 60 E 8.33 4.00 0.00 2.19 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 2.31 2.34 0.00 61 G 8.10 3.55 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 0.00 0.00 0.00 62 K 7.58 3.92 0.00 1.58 1.61 0.00 1.47 0.00 0.00 1.36 0.00 0.00 2.37 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.50 1.05 7.81 63 I 7.52 3.74 1.96 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 1.29 0.53 0.96 0.00 0.00 64 V 7.86 3.76 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 1.09 0.00 0.00 0.94 0.00 0.00 65 D 7.87 4.27 0.00 2.67 2.58 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 *67 E 8.12 4.07 0.00 2.09 1.92 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 2.12 2.23 0.00 68 G 8.57 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 69 K 8.19 4.83 0.00 1.81 1.71 0.00 1.49 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.41 7.81 70 G 8.63 4.38 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 0.00 71 E 8.63 4.39 0.00 1.94 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 2.39 2.34 0.00 72 E 8.72 4.21 0.00 1.95 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 0.00 2.50 2.33 0.00 73 I 8.14 4.43 1.88 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 1.47 0.53 1.00 0.00 0.00 74 S 8.51 4.53 0.00 3.96 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 75 E 7.82 4.35 0.00 2.11 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 2.29 2.28 0.00 76 D 8.38 4.57 0.00 2.71 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 77 I 8.15 4.87 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.89 0.94 0.00 0.00 78 V 8.27 4.78 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 0.75 0.00 0.00 0.94 0.00 0.00 79 L 8.59 4.56 0.00 1.58 1.60 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.76 4.37 0.00 3.89 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 81 P 0.00 4.22 0.00 2.18 2.15 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 82 R 7.91 3.90 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 83 S 8.03 4.13 0.00 4.13 3.88 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 84 K 8.29 4.08 0.00 1.96 1.90 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.67 7.81 85 Q 8.53 4.02 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 86 I 8.27 3.78 2.08 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 1.58 0.86 0.98 0.00 0.00 87 L 8.19 4.20 0.00 1.85 2.05 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.22 3.95 0.00 2.07 2.19 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 2.32 2.33 0.00 89 L 8.28 4.06 0.00 1.84 2.00 0.67 1.15 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 90 S 8.77 4.84 0.00 4.28 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 0.00 91 G 7.83 3.43 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 *93 F 8.10 4.71 0.00 3.39 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 94 A 8.07 3.90 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 95 N 8.56 4.37 0.00 2.81 2.84 0.00 0.00 7.02 7.79 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 96 K 8.11 3.96 0.00 1.95 1.92 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.41 7.81 97 L 8.26 4.22 0.00 1.69 1.77 1.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.46 3.81 0.00 1.86 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.37 7.81 99 T 7.89 4.63 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 1.34 0.00 0.00 100 N 8.30 4.20 0.00 1.66 1.42 0.00 0.00 6.74 7.46 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 0.00 101 Y 7.33 4.93 0.00 2.87 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 0.00 102 I 9.33 4.01 1.60 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 1.11 0.00 0.00 103 G 8.99 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 0.00 0.00 0.00 0.00 104 T 8.70 4.09 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 1.24 0.00 0.00 105 E 8.12 3.93 0.00 2.08 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 0.00 1.99 2.18 0.00 106 H 8.04 4.17 0.00 3.43 3.65 0.00 5.62 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 I 7.80 3.85 2.06 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 1.76 0.95 0.95 0.00 0.00 108 L 8.09 3.94 0.00 1.75 1.63 0.91 0.41 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 0.00 109 L 8.14 3.72 0.00 1.71 1.29 0.63 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.08 4.35 1.62 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 0.00 0.00 111 I 7.97 3.67 2.03 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 1.53 1.01 0.91 0.00 0.00 112 I 7.54 3.74 2.00 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 1.54 0.56 0.98 0.00 0.00 113 Q 8.25 4.24 0.00 2.53 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.66 3.39 0.00 114 E 8.34 4.09 0.00 2.15 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 0.00 2.35 2.50 0.00 115 G 8.22 4.06 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 0.00 0.00 0.00 116 E 8.45 4.68 0.00 2.06 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 2.23 2.40 0.00 117 G 8.53 4.06 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 0.00 0.00 0.00 118 I 8.11 3.70 2.00 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 1.52 0.51 0.83 0.00 0.00 119 A 7.89 3.92 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 0.00 120 N 8.10 4.35 0.00 2.93 2.91 0.00 0.00 7.10 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 0.00 121 K 8.04 4.08 0.00 2.00 1.88 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 122 I 8.03 3.83 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.98 1.01 0.00 0.00 123 L 8.13 4.30 0.00 1.90 1.84 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.82 4.41 0.00 2.95 2.93 0.00 0.00 6.69 7.51 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 0.00 125 Y 8.29 4.02 0.00 3.13 3.26 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 0.00 126 A 8.39 4.33 1.53 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 0.00 0.00 127 G 7.96 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 0.00 128 V 7.75 4.41 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 0.59 0.00 0.00 1.00 0.00 0.00 129 N 8.48 4.33 0.00 2.93 2.85 0.00 0.00 7.11 8.49 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 0.00 130 D 8.06 4.46 0.00 2.74 2.70 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 0.00 131 R 7.94 3.97 0.00 1.84 1.96 0.00 3.10 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 132 T 8.24 3.88 4.45 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 1.28 0.00 0.00 133 L 7.92 3.89 0.00 1.78 1.85 0.89 1.14 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 0.00 134 A 8.05 3.96 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 0.00 135 Q 8.25 3.88 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 136 L 7.96 3.93 0.00 1.71 1.87 0.87 1.03 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 0.00 137 T 7.93 4.01 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 1.20 0.00 0.00 138 I 7.77 3.91 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 1.52 0.60 0.91 0.00 0.00 139 D 7.93 4.69 0.00 2.84 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 *142 G 7.75 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.