NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3788 8.3344 115.3013 57.2698 64.3683 173.5000 -1 N 4.0367 8.2773 117.7262 53.8781 39.0425 173.0132 0 A 4.1982 8.4332 127.1244 54.6458 19.3172 177.5307 3 T 4.6494 7.9886 105.4415 60.2442 71.8662 172.6694 4 T 4.4560 8.5338 118.7988 60.9088 69.0282 175.2020 5 A 4.6381 8.1350 133.2361 50.7912 17.5629 176.6185 6 E 4.1039 9.9969 118.9039 56.8665 29.9785 177.6569 7 Q 4.2754 8.2195 118.9126 59.3536 28.8037 178.0967 8 I 3.5642 7.7958 120.3944 63.9707 37.2040 176.1976 9 P 4.1042 0.0000 0.0000 65.8164 31.1530 178.5800 10 F 4.2011 7.3879 112.9550 60.6205 38.8000 177.7956 11 Q 3.7591 7.9663 117.6446 58.7571 28.2599 178.8006 12 L 3.9290 8.2232 120.3496 57.7994 41.6162 179.7015 13 I 3.6232 7.7450 119.7058 64.0872 37.0838 178.1280 14 L 3.9051 7.8906 121.0758 58.5279 41.9993 178.9657 15 N 4.4823 8.2273 116.2047 56.2048 37.9452 177.8268 16 S 4.2669 8.4635 117.2200 61.2451 62.8674 176.6916 17 G 3.6255 8.1495 108.5047 47.9925 0.0000 175.4141 18 N 4.0546 8.0304 119.0291 55.6645 38.5269 177.2280 19 A 4.2261 8.0011 122.1585 55.3941 18.2594 179.6944 20 R 3.8685 8.0909 116.1151 59.7023 30.2410 178.5888 21 S 4.1988 8.0917 114.2492 61.5021 62.9971 176.2735 22 F 4.9716 8.6670 122.0114 59.9905 38.5914 177.9990 23 A 4.3160 7.9598 117.0725 52.8851 17.4902 178.9506 *25 E 3.8483 8.1334 121.2008 57.7897 31.7276 178.1114 26 A 4.2780 8.4168 120.7206 55.3455 18.3541 179.4195 27 L 3.9083 8.1249 118.7695 58.3795 42.0837 178.9912 28 Q 3.8130 7.8466 118.9931 58.9818 29.0132 177.8917 29 F 4.5434 8.2239 119.0048 60.6988 39.0136 177.4065 30 A 4.0096 8.2581 120.3310 55.2345 17.9495 179.8351 31 K 3.1987 7.4845 115.7113 58.7460 32.0929 178.5110 32 Q 4.4289 7.3876 114.4201 55.1778 29.0734 176.4957 33 G 3.9199 7.8452 108.3504 45.4978 0.0000 173.5846 34 K 4.1228 8.0216 119.6510 55.2412 33.5216 177.4606 *36 A 4.2255 8.5549 125.7687 52.3499 20.6390 178.7155 37 E 3.7315 7.8497 114.6238 59.1019 29.1345 179.2008 38 A 4.2216 7.8858 120.1075 55.3983 18.5759 179.0132 39 D 4.4709 8.0261 115.5634 57.4515 41.2281 178.2572 40 E 4.0655 8.0614 119.0259 59.0352 29.6463 180.4595 41 A 3.8460 7.9714 120.3652 52.0921 18.5344 179.5164 *43 V 3.9254 7.8113 122.3236 64.4985 33.6024 177.7273 44 K 3.8674 7.6849 118.8517 59.0300 31.5456 179.2671 45 A 4.2025 8.2160 121.6046 55.0397 18.3166 179.4035 46 K 3.8551 8.0706 117.6626 59.9304 32.2993 178.6397 47 E 3.9667 8.1767 118.4762 59.3430 29.2830 179.2428 48 A 4.1575 8.2779 120.9113 55.1028 18.3979 179.8096 49 I 3.7047 8.0653 118.4713 64.5992 37.3147 178.1732 50 N 4.2723 8.3675 117.4030 56.5094 38.4547 177.2654 51 E 4.0280 8.2452 119.3158 59.3774 29.6584 179.2021 52 A 4.3518 8.3478 120.9115 55.7370 18.4326 179.1487 53 H 4.0703 8.9430 115.0220 59.6269 28.8123 177.5661 54 H 4.1755 8.0253 117.2454 58.9066 28.4649 177.9161 55 F 4.2759 7.7374 118.8229 60.4634 38.7508 177.4527 56 Q 4.0128 8.2019 119.1427 59.6201 28.8199 178.5450 57 T 3.8808 8.1467 116.7495 66.5252 68.4750 176.0114 58 E 3.9276 8.0433 120.7020 59.3605 29.6565 178.7886 59 L 4.0125 7.8966 118.6562 58.1171 41.7689 179.6765 60 I 3.7665 7.9472 119.7948 64.3460 37.1434 178.5560 61 Q 4.0279 8.8853 119.2824 59.3322 28.4300 178.7658 62 S 4.1693 8.2974 116.2871 61.2308 62.4501 176.3782 63 E 4.4874 8.4388 122.8022 58.4084 28.9809 179.0007 64 A 3.8518 7.7339 120.3536 55.0913 18.4629 179.6539 65 R 4.1160 7.7153 115.7849 59.1523 30.3000 176.7225 66 G 3.3673 6.6050 109.8765 45.0546 0.0000 173.1725 67 E 4.0642 8.1006 122.6042 55.0926 28.5659 176.1303 68 K 4.2459 8.4019 126.1846 56.2284 32.2570 176.7884 69 T 4.1539 8.2260 123.5696 62.9346 69.2680 174.1640 70 E 4.1000 8.5701 126.0002 55.6999 29.9379 176.0214 71 I 4.1683 8.2970 128.2128 60.4410 37.9893 175.8221 72 S 4.8263 8.1570 119.7527 55.8348 67.2456 175.0314 73 V 3.5542 8.1382 121.3265 66.0842 31.1896 177.8862 74 L 3.9242 7.7611 119.6744 57.7702 41.8782 178.4916 75 L 3.8533 7.9051 120.3098 58.2688 42.0280 179.0013 76 I 3.6600 7.6229 119.6355 64.6106 37.0269 177.9645 77 H 4.0859 8.6976 119.1902 59.1674 29.7574 177.0595 78 A 3.9622 8.5079 123.0059 55.4784 17.9707 179.7027 79 Q 3.9815 8.0696 115.4056 59.0015 28.7804 178.3753 80 D 4.4631 7.9500 119.4364 57.7362 41.1636 178.2105 81 H 4.3374 8.4792 117.0921 58.4571 28.6259 178.0845 82 L 4.2115 7.7749 121.4699 54.9715 41.7356 178.0960 *84 N 4.5791 8.1901 117.2214 53.0656 40.8566 176.1294 85 A 4.0257 8.1189 119.7602 55.2456 18.4393 179.6143 86 I 3.6759 7.7929 118.2756 64.9787 37.2226 178.9240 87 T 3.9403 7.8355 116.0258 66.4811 68.3377 176.9371 88 V 3.6569 8.2220 120.6760 65.7529 31.5548 177.9369 89 K 3.9646 8.3688 119.5965 59.8231 32.2649 178.6963 90 E 4.0299 8.3655 118.7302 59.1176 29.3624 178.9605 91 L 4.2270 8.1638 118.1372 56.3680 41.8630 178.9380 92 A 4.3079 8.5443 121.6079 55.1497 18.3146 179.2681 93 A 4.0115 8.0649 119.2486 55.6193 18.4958 179.7757 94 E 3.8957 7.7240 115.9362 59.4166 29.4223 179.6238 95 F 4.3042 8.1601 117.8477 60.6949 39.0290 177.6774 96 I 3.9713 8.3572 119.7222 64.6970 36.8857 178.0079 97 D 4.4751 8.3493 119.6306 57.5132 40.6238 179.1061 98 L 3.9441 7.8586 119.0822 58.0857 41.6725 179.1715 99 Y 4.1631 8.1976 116.6890 61.0025 37.8322 178.8323 100 K 4.0436 8.7140 119.8796 59.3772 31.9555 179.3166 101 K 3.9649 8.0078 118.8301 59.5422 32.2287 178.5764 102 L 4.1505 8.4113 119.7355 57.8846 41.0519 179.3824 103 E 4.0384 8.4756 118.3119 59.0046 29.2017 178.7778 104 A 4.2175 7.7535 119.3271 53.9664 18.5415 179.0948 105 K 4.2587 7.5895 116.7036 57.6722 32.4664 177.1628 106 G 3.7895 7.4095 110.8363 46.4569 0.0000 172.4952 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 S 8.33 4.38 0.00 3.87 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 -1 N 8.28 4.04 0.00 2.86 2.78 0.00 0.00 6.99 7.08 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 A 8.43 4.20 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 3 T 7.99 4.65 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 1.23 0.00 0.00 4 T 8.53 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 1.23 0.00 0.00 5 A 8.14 4.64 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 6 E 10.00 4.10 0.00 2.08 2.15 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 2.34 2.32 0.00 7 Q 8.22 4.28 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 8 I 7.80 3.56 1.90 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 1.87 0.92 0.98 0.00 0.00 9 P 0.00 4.10 0.00 1.80 1.91 0.00 3.62 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 2.01 2.11 0.00 10 F 7.39 4.20 0.00 3.22 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 11 Q 7.97 3.76 0.00 1.13 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 12 L 8.22 3.93 0.00 1.79 1.66 0.92 1.18 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 13 I 7.75 3.62 1.98 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 1.36 0.69 0.86 0.00 0.00 14 L 7.89 3.91 0.00 1.86 1.80 0.91 0.47 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 15 N 8.23 4.48 0.00 2.97 2.97 0.00 0.00 7.15 6.97 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 16 S 8.46 4.27 0.00 3.88 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 17 G 8.15 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 18 N 8.03 4.05 0.00 2.77 2.69 0.00 0.00 6.97 7.77 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 19 A 8.00 4.23 1.54 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 0.00 0.00 20 R 8.09 3.87 0.00 1.89 2.11 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 21 S 8.09 4.20 0.00 3.71 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 22 F 8.67 4.97 0.00 3.31 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 23 A 7.96 4.32 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.85 0.00 2.34 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 2.13 2.26 0.00 26 A 8.42 4.28 1.54 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 0.00 0.00 27 L 8.12 3.91 0.00 1.93 1.65 1.01 0.43 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 28 Q 7.85 3.81 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 29 F 8.22 4.54 0.00 3.29 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 30 A 8.26 4.01 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 31 K 7.48 3.20 0.00 1.70 1.65 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.71 1.24 7.81 32 Q 7.39 4.43 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.98 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 33 G 7.85 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 34 K 8.02 4.12 0.00 2.00 1.77 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.41 7.81 *36 A 8.55 4.23 1.26 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 0.00 0.00 37 E 7.85 3.73 0.00 1.46 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 1.78 2.06 0.00 38 A 7.89 4.22 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 39 D 8.03 4.47 0.00 2.81 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 40 E 8.06 4.07 0.00 2.18 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 2.25 2.28 0.00 41 A 7.97 3.85 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 *43 V 7.81 3.93 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 0.94 0.00 0.00 0.96 0.00 0.00 44 K 7.68 3.87 0.00 1.08 0.74 0.00 1.42 0.00 0.00 1.17 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.11 1.29 7.81 45 A 8.22 4.20 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 46 K 8.07 3.86 0.00 1.88 2.04 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.61 7.81 47 E 8.18 3.97 0.00 2.20 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 2.32 2.43 0.00 48 A 8.28 4.16 1.61 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 49 I 8.07 3.70 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 1.00 0.00 0.00 50 N 8.37 4.27 0.00 2.91 2.84 0.00 0.00 7.07 7.17 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 51 E 8.25 4.03 0.00 2.32 2.15 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 2.66 2.57 0.00 52 A 8.35 4.35 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 53 H 8.94 4.07 0.00 3.27 3.30 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 54 H 8.03 4.18 0.00 3.11 3.06 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 55 F 7.74 4.28 0.00 3.44 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 56 Q 8.20 4.01 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 57 T 8.15 3.88 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 1.23 0.00 0.00 58 E 8.04 3.93 0.00 2.22 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 2.36 2.39 0.00 59 L 7.90 4.01 0.00 2.01 1.73 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.95 3.77 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 1.59 0.77 0.92 0.00 0.00 61 Q 8.89 4.03 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 62 S 8.30 4.17 0.00 4.25 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 0.00 63 E 8.44 4.49 0.00 2.22 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 2.46 2.19 0.00 64 A 7.73 3.85 1.39 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 0.00 0.00 0.00 65 R 7.72 4.12 0.00 1.84 2.01 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 66 G 6.60 3.37 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 0.00 67 E 8.10 4.06 0.00 2.22 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 2.33 2.25 0.00 68 K 8.40 4.25 0.00 1.70 1.75 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.52 7.81 69 T 8.23 4.15 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 1.22 0.00 0.00 70 E 8.57 4.10 0.00 1.91 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 2.29 2.38 0.00 71 I 8.30 4.17 1.86 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 0.95 0.90 0.00 0.00 72 S 8.16 4.83 0.00 3.96 3.90 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 0.00 0.00 0.00 73 V 8.14 3.55 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 0.98 0.00 0.00 0.91 0.00 0.00 74 L 7.76 3.92 0.00 1.65 1.46 0.77 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.91 3.85 0.00 1.76 1.79 0.93 0.82 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 76 I 7.62 3.66 2.00 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 1.39 0.51 0.90 0.00 0.00 77 H 8.70 4.09 0.00 3.25 3.43 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.51 3.96 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 79 Q 8.07 3.98 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 80 D 7.95 4.46 0.00 2.73 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 81 H 8.48 4.34 0.00 3.16 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.77 4.21 0.00 1.77 1.74 0.89 0.18 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 *84 N 8.19 4.58 0.00 2.85 2.98 0.00 0.00 6.97 8.55 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 85 A 8.12 4.03 1.47 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 0.00 0.00 86 I 7.79 3.68 1.89 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 1.55 0.98 0.94 0.00 0.00 87 T 7.84 3.94 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 1.23 0.00 0.00 88 V 8.22 3.66 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 1.11 0.00 0.00 1.03 0.00 0.00 89 K 8.37 3.96 0.00 1.97 1.99 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.55 7.81 90 E 8.37 4.03 0.00 2.08 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 2.35 2.62 0.00 91 L 8.16 4.23 0.00 1.83 1.64 0.92 0.50 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 92 A 8.54 4.31 1.55 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 93 A 8.06 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.72 3.90 0.00 2.00 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 0.00 2.47 2.39 0.00 95 F 8.16 4.30 0.00 3.42 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 96 I 8.36 3.97 2.13 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 1.65 0.86 1.01 0.00 0.00 97 D 8.35 4.48 0.00 2.90 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 98 L 7.86 3.94 0.00 1.89 1.54 0.84 0.81 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 99 Y 8.20 4.16 0.00 3.24 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 0.00 100 K 8.71 4.04 0.00 1.99 1.90 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.72 7.81 101 K 8.01 3.96 0.00 1.93 1.98 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 102 L 8.41 4.15 0.00 1.86 1.73 0.79 0.84 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 0.00 103 E 8.48 4.04 0.00 2.29 2.03 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 2.39 2.54 0.00 104 A 7.75 4.22 1.39 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 0.00 0.00 0.00 105 K 7.59 4.26 0.00 1.93 1.88 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.65 7.81 106 G 7.41 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.