NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3793 8.3049 120.3487 55.2638 33.6422 174.6257 2 K 4.3498 8.0678 118.8057 52.8976 34.8566 174.3784 3 P 4.2284 0.0000 0.0000 65.8750 31.7865 177.8561 4 Q 3.9249 8.0760 117.3763 59.2512 28.9786 177.8821 5 L 3.9746 7.9924 120.9715 57.9760 41.9996 178.3470 6 L 3.9050 7.9127 119.4721 59.1487 40.1641 179.1877 7 A 3.9886 8.2190 122.3990 54.2466 18.4623 178.9928 8 L 3.8958 7.9267 118.8087 58.3906 42.1031 179.1564 9 K 3.9162 8.0320 119.1639 59.6624 32.1014 178.2810 10 Q 3.9917 8.4475 120.2222 59.2471 28.8858 178.1991 11 F 4.0583 8.8753 121.7390 61.6115 39.5415 177.6973 12 V 3.6265 7.9818 111.7032 63.9082 31.1505 178.5639 13 Q 3.8876 8.0816 119.6102 59.5903 28.9375 178.4368 14 T 4.0825 8.0597 118.4401 65.8644 68.2192 176.1382 15 E 3.6453 8.0567 120.6017 59.4224 29.6307 178.4692 16 F 3.9286 7.9355 118.9581 61.2326 39.1395 176.5659 17 E 3.8787 8.1197 118.0556 57.9153 29.0015 178.0212 18 K 4.4458 7.3060 117.3620 55.6199 33.4001 176.4001 19 V 4.3534 6.5417 117.8265 59.3987 34.2407 175.2359 20 D 4.3158 8.4522 120.6682 54.3130 41.8198 176.3473 21 F 3.9499 8.8470 129.2558 61.6858 39.3115 176.5202 22 E 3.3266 8.3592 118.0575 59.3689 29.2659 178.8378 23 T 4.2009 7.6441 114.8097 66.0409 68.6906 176.7073 24 F 4.0449 8.2204 122.5999 61.3352 39.3998 176.7736 25 R 3.6073 8.2737 119.0501 59.7905 29.5821 178.3478 26 Q 3.9023 7.5111 115.9336 58.9857 28.6126 178.4318 27 N 4.2430 7.7936 117.1483 56.0468 38.5248 177.1561 28 F 3.9550 8.0918 122.3646 61.4614 39.4177 177.0387 29 N 4.3105 8.3645 116.0458 56.0490 38.2366 177.8509 30 R 3.8077 8.1350 120.0376 59.3235 30.1712 178.4870 31 C 3.9199 8.6014 117.6763 63.0048 28.1076 175.6350 32 L 3.6321 7.7359 121.8664 58.2849 41.3379 178.3827 33 E 3.8059 8.0669 118.9770 59.5342 29.5103 178.8764 34 R 4.0058 7.6264 117.9165 59.1546 30.4441 177.7458 35 E 4.2385 8.3940 119.4921 58.5530 29.3079 177.6577 36 Q 4.6288 7.7174 116.3177 55.7306 29.2310 176.8697 37 S 4.1716 8.0817 117.8222 59.3947 63.7591 173.8651 38 T 3.4035 7.6544 108.8257 60.7778 66.5398 169.3639 39 L 4.2961 7.4751 131.8678 56.0591 47.9745 176.1610 40 L 4.5769 7.0943 120.5494 53.5537 41.5392 177.2077 41 I 3.5108 7.4402 120.7402 64.4763 38.1076 176.0589 42 Y 4.6322 7.3479 114.5147 58.9493 37.8504 175.3439 43 E 4.5782 8.0331 117.4470 55.3641 31.5313 175.3406 44 D 4.2638 7.6520 118.7799 53.6337 41.2521 175.0455 45 D 4.3132 8.5928 126.8787 54.9649 41.1340 174.1613 46 D 5.1084 8.3412 125.0183 55.4369 43.7361 173.5400 47 Y 3.4512 8.4253 114.3437 59.8492 35.3523 170.3833 48 D 4.7660 8.3352 119.6472 55.8059 42.6976 176.9220 49 D 4.6077 7.2777 117.2119 52.8946 40.0498 176.4346 50 Q 4.2521 8.4346 118.0011 55.9294 30.5880 177.0418 51 S 4.0690 8.7981 117.6784 61.9322 62.5639 176.6568 52 F 4.1337 8.2506 122.7928 60.8633 39.4281 176.4483 53 F 3.8004 9.0036 120.6889 60.6793 39.2013 176.9329 54 L 3.1479 7.6933 119.8701 57.9671 41.3290 178.5881 55 K 3.5913 7.8033 119.4154 59.3151 31.8752 176.7774 56 P 4.0441 0.0000 0.0000 65.4320 31.3688 178.3245 57 M 3.5614 7.3277 117.5724 58.2755 31.7685 177.9041 58 L 3.4639 7.7206 120.7086 58.3926 42.2516 179.1376 59 S 4.0406 7.6826 113.6369 61.9558 62.9929 176.0115 60 D 4.0774 8.3452 121.4116 57.6902 40.4734 178.7758 61 A 4.0709 8.6122 121.5360 54.9422 18.3707 179.8655 62 F 4.6791 7.9626 116.4272 60.9761 39.0918 177.7542 63 F 4.6123 8.3625 117.1279 60.9716 38.7382 177.8792 64 I 3.9258 8.0444 119.0682 64.1461 36.9447 178.4530 65 S 4.1989 8.4884 114.4659 61.5418 62.1949 176.1430 66 S 4.2304 8.9781 116.3447 61.4316 61.8749 175.7786 67 E 3.9600 8.0970 121.1334 59.3764 29.5186 178.9317 68 V 3.8377 7.8728 111.1697 63.6739 31.7266 178.1820 69 V 4.1000 7.5444 110.6524 62.0616 33.2035 177.7308 70 K 4.4047 7.5435 120.0647 56.1604 29.0938 177.2630 71 Q 4.3428 7.7424 120.6730 56.3708 29.3145 176.1864 72 L 5.2563 7.3443 116.4242 55.0299 42.9487 175.9178 73 D 4.5541 9.1688 116.0988 54.9013 44.4004 175.4871 74 L 4.5269 8.0666 125.7737 55.1816 41.5337 171.6769 *82 P 4.4455 0.0000 0.0000 62.6730 34.5577 176.6312 83 K 3.9512 9.0457 120.0298 56.3405 31.0052 176.6668 84 G 3.6860 9.8265 106.8378 44.3843 0.0000 173.6151 85 D 4.6428 8.5605 126.8287 52.4627 40.7251 177.8491 86 V 3.8201 8.2550 118.8874 64.5610 31.5304 178.3193 87 K 3.9338 8.0071 120.1107 59.2450 32.2693 178.7418 88 S 4.1924 8.8998 114.9848 61.7699 62.6375 176.3186 89 C 4.1810 7.6436 120.5279 62.8496 27.9062 175.8473 90 C 4.2204 8.0387 117.7072 62.3298 27.6616 175.9686 91 Q 4.0438 8.4546 122.0860 59.3744 28.6803 178.4002 92 S 4.2562 8.1479 116.1761 61.4912 62.5995 176.4693 93 F 4.1698 7.8975 122.8660 61.2597 39.3317 176.4134 94 Y 4.1340 8.2210 119.1876 60.8155 38.5388 177.5101 95 E 3.7738 8.6276 117.9013 58.6943 29.5583 178.4481 96 A 4.2474 7.2641 118.1578 53.0653 19.4349 178.2538 97 L 4.1660 7.3059 115.9875 54.4414 42.0292 178.2044 98 T 3.6111 7.3800 117.4585 66.9283 68.2450 175.6142 99 L 4.0275 7.8517 121.2438 57.8994 42.1872 178.5312 100 F 4.0514 8.1036 120.3037 61.4427 39.5837 177.0770 101 I 4.0085 8.6654 119.7748 64.4632 36.8685 178.7257 102 S 4.1712 8.1442 115.7098 61.3494 62.6105 176.3446 103 A 3.8511 7.6629 123.4939 55.1404 18.0148 179.3012 104 L 3.7907 7.5455 117.1380 58.0488 41.6683 179.7726 105 A 3.2369 7.1873 119.5686 54.9651 18.3367 179.6039 106 I 3.5329 7.9439 118.5493 64.9756 36.9641 178.8389 107 T 3.8938 8.3274 116.3720 65.8697 68.2652 175.8352 108 K 4.4131 7.9535 118.6259 55.7736 33.0629 176.5902 109 G 3.8488 7.6472 106.2525 47.1070 0.0000 174.1616 110 V 4.2013 7.4430 117.9071 60.1183 33.7309 174.7605 111 D 4.2712 8.3970 124.0523 53.9896 40.9071 176.1464 112 V 3.7801 7.9999 126.6735 63.9649 32.0161 175.0104 113 G 3.7171 8.1785 118.3179 45.9243 0.0000 175.9807 114 R 4.0385 7.6544 119.2647 58.5564 30.2306 177.7734 115 Y 4.3252 8.0556 120.7734 60.5856 38.8029 177.8033 116 H 4.2260 8.4189 116.3166 59.2785 28.8943 177.6736 117 Q 4.0471 8.3899 119.7461 58.9310 28.5734 178.7691 118 Q 3.8905 8.5262 119.4977 58.8282 28.7710 178.2043 119 L 4.1830 7.9185 121.5429 58.6917 42.0660 179.5838 120 G 3.6658 8.0720 106.2038 46.4926 0.0000 175.7023 121 K 3.8361 7.5914 121.4197 59.4230 32.4037 178.3141 122 R 3.6534 7.7569 117.7757 58.2563 30.2854 176.0798 123 F 4.6868 7.0091 116.2710 55.6660 40.9012 177.5147 124 G 3.9191 8.4259 113.4797 44.8239 0.0000 172.6632 125 V 4.2393 8.2504 122.6164 61.0728 34.5405 174.7867 126 L 4.4571 8.1568 127.9778 53.7771 40.8359 176.1910 127 T 4.0986 7.8128 116.3052 60.4311 69.9624 176.2870 128 V 3.4221 8.9603 122.7098 64.9570 31.8209 175.8124 129 Y 4.2146 7.4916 121.4750 58.4082 38.3010 175.1444 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 M 8.30 4.38 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.07 4.35 0.00 1.87 1.67 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.59 7.81 3 P 0.00 4.23 0.00 2.15 2.13 0.00 3.61 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 2.12 2.17 0.00 4 Q 8.08 3.92 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 5 L 7.99 3.97 0.00 1.79 1.76 0.92 0.56 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 6 L 7.91 3.90 0.00 1.98 2.08 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.22 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 8 L 7.93 3.90 0.00 1.92 1.81 0.94 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.03 3.92 0.00 1.90 2.04 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 10 Q 8.45 3.99 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 11 F 8.88 4.06 0.00 3.22 3.34 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 12 V 7.98 3.63 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 0.92 0.00 0.00 0.91 0.00 0.00 13 Q 8.08 3.89 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 14 T 8.06 4.08 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 1.15 0.00 0.00 15 E 8.06 3.65 0.00 1.60 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.18 0.00 16 F 7.94 3.93 0.00 2.79 3.18 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 17 E 8.12 3.88 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 18 K 7.31 4.45 0.00 1.82 1.81 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.36 7.81 19 V 6.54 4.35 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 0.63 0.00 0.00 0.92 0.00 0.00 20 D 8.45 4.32 0.00 2.80 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 21 F 8.85 3.95 0.00 3.05 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 22 E 8.36 3.33 0.00 2.20 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 2.43 2.48 0.00 23 T 7.64 4.20 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 1.21 0.00 0.00 24 F 8.22 4.04 0.00 3.08 3.16 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 0.00 25 R 8.27 3.61 0.00 0.84 1.66 0.00 3.07 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 26 Q 7.51 3.90 0.00 2.23 2.07 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 2.33 2.57 0.00 27 N 7.79 4.24 0.00 2.70 2.79 0.00 0.00 6.68 9.27 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 28 F 8.09 3.96 0.00 2.22 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 29 N 8.36 4.31 0.00 2.90 2.82 0.00 0.00 7.13 8.31 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 30 R 8.14 3.81 0.00 1.93 1.89 0.00 3.09 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 31 C 8.60 3.92 0.00 2.72 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 32 L 7.74 3.63 0.00 1.37 1.39 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.07 3.81 0.00 1.95 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 0.00 2.28 2.30 0.00 34 R 7.63 4.01 0.00 1.94 2.10 0.00 3.28 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 35 E 8.39 4.24 0.00 2.13 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 2.25 2.35 0.00 36 Q 7.72 4.63 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 37 S 8.08 4.17 0.00 3.95 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 38 T 7.65 3.40 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 1.25 0.00 0.00 39 L 7.48 4.30 0.00 1.58 1.66 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.09 4.58 0.00 1.70 1.56 0.99 0.92 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 41 I 7.44 3.51 1.47 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 1.22 1.07 -0.40 0.00 0.00 42 Y 7.35 4.63 0.00 2.99 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 43 E 8.03 4.58 0.00 1.93 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 2.28 2.37 0.00 44 D 7.65 4.26 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.31 0.00 2.66 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 46 D 8.34 5.11 0.00 2.85 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 47 Y 8.43 3.45 0.00 3.14 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 48 D 8.34 4.77 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.28 4.61 0.00 3.06 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 50 Q 8.43 4.25 0.00 2.44 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 51 S 8.80 4.07 0.00 4.07 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 0.00 52 F 8.25 4.13 0.00 3.06 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.00 3.80 0.00 2.97 3.11 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 54 L 7.69 3.15 0.00 1.83 1.37 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.80 3.59 0.00 1.82 1.69 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.45 7.81 56 P 0.00 4.04 0.00 1.78 1.74 0.00 3.20 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.80 0.00 57 M 7.33 3.56 0.00 1.42 1.34 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.58 0.00 58 L 7.72 3.46 0.00 1.56 1.44 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.68 4.04 0.00 3.63 3.46 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 0.00 0.00 0.00 0.00 60 D 8.35 4.08 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.61 4.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.96 4.68 0.00 3.35 3.23 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 0.00 63 F 8.36 4.61 0.00 3.36 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 64 I 8.04 3.93 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 0.97 0.00 0.00 65 S 8.49 4.20 0.00 4.12 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 0.00 66 S 8.98 4.23 0.00 4.19 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 67 E 8.10 3.96 0.00 2.31 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 2.32 2.50 0.00 68 V 7.87 3.84 2.12 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 0.91 0.00 0.00 1.11 0.00 0.00 69 V 7.54 4.10 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 0.89 0.00 0.00 1.16 0.00 0.00 70 K 7.54 4.40 0.00 1.85 1.88 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.26 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.70 1.50 7.81 71 Q 7.74 4.34 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 72 L 7.34 5.26 0.00 1.76 1.69 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 D 9.17 4.55 0.00 2.77 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 74 L 8.07 4.53 0.00 1.69 1.83 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *82 P 0.00 4.45 0.00 2.10 2.09 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 83 K 9.05 3.95 0.00 1.92 1.56 0.00 1.49 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 84 G 9.83 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.56 4.64 0.00 2.84 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 86 V 8.26 3.82 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 0.79 0.00 0.00 0.93 0.00 0.00 87 K 8.01 3.93 0.00 1.89 1.85 0.00 1.61 0.00 0.00 1.89 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.75 7.81 88 S 8.90 4.19 0.00 4.05 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 89 C 7.64 4.18 0.00 3.09 3.02 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 90 C 8.04 4.22 0.00 3.14 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.45 4.04 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 92 S 8.15 4.26 0.00 4.14 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 93 F 7.90 4.17 0.00 2.90 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 94 Y 8.22 4.13 0.00 3.19 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 95 E 8.63 3.77 0.00 1.95 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 2.57 2.77 0.00 96 A 7.26 4.25 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 97 L 7.31 4.17 0.00 1.32 1.40 -0.27 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.38 3.61 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 1.17 0.00 0.00 99 L 7.85 4.03 0.00 1.68 1.70 0.88 0.85 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 0.00 100 F 8.10 4.05 0.00 3.20 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 0.00 101 I 8.67 4.01 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.19 1.08 0.00 0.00 102 S 8.14 4.17 0.00 3.90 3.96 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 0.00 103 A 7.66 3.85 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 0.00 104 L 7.55 3.79 0.00 1.84 1.58 1.28 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.19 3.24 1.06 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 0.00 106 I 7.94 3.53 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.11 0.86 0.00 0.00 107 T 8.33 3.89 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 1.16 0.00 0.00 108 K 7.95 4.41 0.00 1.83 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.18 7.81 109 G 7.65 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 0.00 0.00 0.00 110 V 7.44 4.20 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 0.88 0.00 0.00 0.93 0.00 0.00 111 D 8.40 4.27 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.00 3.78 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 0.66 0.00 0.00 0.90 0.00 0.00 113 G 8.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 4.04 0.00 1.90 2.08 0.00 3.22 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 115 Y 8.06 4.33 0.00 3.15 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 0.00 116 H 8.42 4.23 0.00 3.53 3.60 0.00 5.68 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 0.00 117 Q 8.39 4.05 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 118 Q 8.53 3.89 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 119 L 7.92 4.18 0.00 1.72 1.91 0.97 0.95 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 0.00 120 G 8.07 3.67 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 0.00 0.00 0.00 121 K 7.59 3.84 0.00 1.92 1.76 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.55 7.81 122 R 7.76 3.65 0.00 1.48 1.38 0.00 2.63 0.00 0.00 2.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 123 F 7.01 4.69 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.43 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 0.00 125 V 8.25 4.24 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 0.48 0.00 0.00 0.95 0.00 0.00 126 L 8.16 4.46 0.00 1.62 1.77 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.81 4.10 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 1.02 0.00 0.00 128 V 8.96 3.42 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 0.47 0.00 0.00 0.99 0.00 0.00 129 Y 7.49 4.21 0.00 2.84 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 * Residues marked with a * may have inaccurate shift predictions.