NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3787 8.3049 120.3493 55.4349 33.8056 176.5132 2 N 4.3617 7.3123 118.4930 52.9481 39.7608 174.5148 3 R 4.4967 7.6258 121.4422 53.5840 31.6991 176.2714 4 G 3.8896 8.5970 109.0439 47.9870 0.0000 171.4748 5 A 3.9729 8.1829 122.1413 55.6202 18.2989 179.3849 6 L 4.0960 8.1054 115.5694 56.6086 41.2837 179.7603 7 I 3.7587 7.7129 120.9231 64.3144 37.3341 178.0888 8 K 3.8828 7.4818 116.3551 59.5518 31.8545 179.0702 9 L 4.2221 7.5209 118.2460 56.9606 41.6930 178.7762 10 V 3.7613 7.9860 114.4423 63.6270 31.1598 175.7717 11 E 4.4211 7.9393 118.4907 57.6925 31.4509 176.3293 12 S 4.0693 7.4684 114.1124 58.5490 61.7429 173.3768 13 R 4.0697 8.2456 125.7261 58.1786 30.7725 178.2355 14 Y 4.1385 7.1584 111.7083 58.6558 38.0270 176.4515 15 V 4.1719 9.1536 119.9072 61.2423 32.4169 175.9740 16 R 4.6839 8.7628 122.1713 55.2545 31.9373 176.1190 17 T 4.6920 8.1617 107.3649 61.3318 70.0050 173.8013 18 D 4.9591 8.0215 120.6525 53.4804 40.1600 176.0293 19 L 4.7528 7.6104 117.9612 53.1001 45.1887 174.7105 20 P 4.3771 0.0000 0.0000 61.9316 29.8805 174.2047 21 E 3.8953 8.5091 121.0611 56.6414 30.0039 176.3536 22 F 4.9251 7.9415 119.8991 56.4086 40.8076 172.7082 23 R 4.4425 8.5394 114.8700 54.9516 31.5851 172.0865 24 P 5.2338 0.0000 0.0000 62.2801 33.2520 178.4054 25 G 3.5553 11.3000 108.1959 46.5194 0.0000 174.7696 26 D 4.6201 8.5253 115.0915 53.3208 44.0533 176.6845 27 T 4.1215 8.1251 113.9536 62.2670 67.2072 171.3797 28 V 4.5503 8.1687 123.9451 61.0548 33.3176 170.9289 29 R 4.8299 8.3285 132.8831 56.5634 33.9358 173.8189 30 V 3.7411 6.8500 114.6580 58.3997 34.9959 175.1332 31 S 4.9150 9.0025 115.4723 58.3205 62.9457 173.8284 32 Y 4.7088 8.6801 117.5856 54.9298 46.1872 176.8939 33 K 3.3324 7.0292 120.6885 56.4561 32.2181 174.0041 34 V 5.2509 7.6433 115.8426 61.6578 34.3992 173.9654 35 K 4.3516 9.4862 120.0462 57.0486 34.0794 174.7558 36 E 3.5661 9.2939 116.7263 56.6523 28.8847 176.0659 37 G 3.9628 8.7251 105.2470 46.4612 0.0000 174.3956 38 N 4.7646 7.6192 117.1619 52.0391 36.8202 177.5242 39 R 3.0374 6.8164 121.4117 58.0172 32.5174 176.1440 40 T 4.1413 7.5578 109.4471 62.0112 69.6178 173.0135 41 R 4.6162 8.3795 132.7081 55.7139 30.0198 172.8384 42 I 3.6257 7.3284 112.5238 61.4020 38.2036 175.8452 43 Q 4.6105 8.5061 126.6739 54.4987 31.1868 173.5171 44 D 5.3062 8.6663 124.9238 52.5268 43.2498 175.2139 45 F 5.0147 8.8049 124.7828 56.4124 42.2514 173.8028 46 E 4.6743 8.3838 124.3140 54.0074 32.7148 174.3688 47 G 4.8701 8.0746 108.6432 43.8725 0.0000 172.8477 48 I 3.9288 7.8373 121.8479 60.5933 37.8537 176.1650 49 V 4.3587 8.4488 125.2084 61.6287 32.0135 176.9249 50 I 3.8615 8.2916 125.7676 63.0733 37.7526 175.6389 51 R 4.6485 7.5648 118.0946 54.9659 34.2074 174.5449 52 I 4.7008 8.2146 123.4327 60.4415 40.2519 174.5835 53 R 4.4700 9.5388 130.3837 54.3940 31.4327 175.6941 54 R 4.1857 8.5560 126.7104 55.8578 31.2593 174.8478 55 N 4.8963 8.8213 122.4171 54.4767 42.4041 177.1763 56 G 3.8722 8.7917 107.5525 46.5317 0.0000 175.4631 57 F 4.4914 9.2928 123.2049 57.6544 42.2661 174.3176 58 N 3.3664 5.7700 116.1712 54.0078 35.3547 174.6734 59 T 4.3982 7.2001 110.6499 60.6251 70.5980 174.6586 60 T 4.8502 8.0016 116.4447 60.8541 71.1158 173.6557 61 F 5.5386 9.3029 116.7972 55.5733 41.5100 173.4579 62 T 4.6725 9.0906 109.6258 59.9089 72.2999 172.8264 63 V 4.6709 8.8596 122.7576 61.2205 35.6461 174.0379 64 R 5.3010 8.8154 124.6310 54.5910 33.3783 174.0922 65 K 4.7673 9.0869 125.6740 54.7418 36.6845 175.2062 66 V 4.1162 8.2283 121.2896 60.9189 31.6870 173.7715 67 S 4.4755 8.4760 120.2430 56.9044 61.4923 168.7982 68 Y 3.4083 8.2929 132.5294 59.1172 37.5134 174.7164 69 G 3.2862 8.0622 110.0177 46.9590 0.0000 174.8421 70 V 3.5355 8.3932 122.3940 62.2761 32.2201 175.6008 71 G 4.1913 8.6044 115.6010 43.8945 0.0000 173.0692 72 V 4.2556 8.1747 125.2054 61.9956 34.0697 174.9203 73 E 4.8789 8.3758 122.5785 55.1895 32.6937 174.9552 74 R 4.1269 8.4141 124.4557 54.4271 32.2033 175.8185 75 I 4.4663 7.5181 122.7498 59.4675 40.0514 174.7951 76 F 5.0162 8.4605 122.6488 55.5398 43.1677 173.9709 77 P 4.4960 0.0000 0.0000 62.2547 31.9199 177.3468 78 L 3.9705 9.2797 118.2919 55.5318 40.7164 173.2090 79 H 4.8463 7.7899 112.1753 56.1874 32.9307 173.1831 80 S 4.5072 9.2041 118.4634 57.6484 62.2825 167.7290 81 P 4.7806 0.0000 0.0000 58.9989 30.5193 172.5970 82 L 5.3604 8.2439 118.7954 54.7886 43.8444 174.3948 83 I 2.9646 7.6210 110.0470 63.1459 38.1383 177.2961 84 Q 4.4996 8.0339 118.2838 53.8380 31.3846 176.2209 85 K 4.2841 8.0782 117.5333 55.2968 34.6627 175.5649 86 I 4.6694 8.0042 123.0848 58.8906 41.3949 173.7723 87 D 4.9050 8.1334 122.0116 51.4169 42.7318 176.7922 88 I 4.0934 7.9601 125.5856 60.9397 37.7944 175.6699 89 V 3.5224 8.4638 125.4713 65.0071 31.9369 177.0578 90 Q 4.4383 8.8047 127.6170 54.2373 29.3519 174.9038 91 R 4.5642 8.2611 126.6287 55.2891 32.6599 177.1133 92 G 4.1818 9.5967 120.8140 46.7530 0.0000 175.5595 93 R 3.8510 7.5422 114.2053 56.6114 29.7443 177.1214 94 A 3.7478 8.2389 115.5017 53.2540 15.0596 176.7271 95 R 4.2166 8.4114 122.6519 58.8203 30.7341 177.4430 96 R 4.6261 7.5735 112.1915 53.9398 31.7476 173.7127 97 A 3.7777 7.9971 121.2107 55.3484 18.6637 178.4401 98 K 3.9193 7.7608 125.9593 54.9301 31.3258 176.8304 99 L 4.5619 7.4964 125.7737 54.4012 39.4230 176.2924 100 Y 4.2997 8.0954 125.4588 61.3107 39.1377 178.2788 101 F 3.9206 8.4258 114.9524 59.8304 38.6861 177.4099 102 I 3.3905 6.7290 114.7012 64.2048 37.1005 177.9390 103 R 3.8727 8.5226 120.2471 58.9694 29.8007 177.7553 104 N 4.5977 7.9915 112.8010 55.5168 39.3309 176.1905 105 L 4.7284 7.9518 117.4655 53.7230 43.6591 174.8981 106 S 4.9602 7.8348 113.5675 55.7546 67.0427 174.3181 107 D 4.6952 8.1009 127.8102 54.1551 38.2230 176.7225 108 R 4.5147 8.9564 120.2337 55.5760 32.7329 175.2660 109 E 4.3298 9.0130 117.3775 59.2150 30.4002 178.5850 110 I 3.8214 7.9481 119.3114 64.4993 37.4360 178.0039 111 R 3.7543 8.2669 117.7475 59.5284 29.3046 177.5203 112 R 4.0547 7.6161 116.7659 57.6097 30.5661 177.6370 113 K 3.9689 8.1466 121.5811 59.4659 32.6679 177.4776 114 L 4.5354 8.3397 120.3150 53.1683 40.0764 176.6179 115 R 3.8794 7.9721 120.7110 58.1734 30.7563 175.0769 116 A 4.1731 7.5048 122.1273 51.1617 19.6703 177.4192 117 D 4.6228 8.0579 125.0247 53.2250 40.0777 176.6338 118 R 3.9267 8.2554 124.8280 58.8066 29.8759 177.8361 119 K 3.7857 8.1701 118.7689 59.7079 31.7624 178.2399 120 R 4.2588 7.6152 115.0943 57.8543 30.5856 178.5495 121 I 3.8583 7.8175 120.2821 64.5676 36.7775 178.1133 122 D 4.5386 8.3014 119.8809 56.9966 40.5008 179.3902 123 Q 4.4336 7.4618 113.7231 56.7626 28.6953 176.7794 124 D 4.7282 9.3607 121.5963 55.9088 44.1187 178.3688 125 R 3.8606 7.6723 116.5073 58.9079 30.1562 178.4929 126 A 4.0673 7.9044 118.8654 54.0192 18.8069 178.1429 127 A 4.1572 8.1721 119.4287 54.2367 18.7642 179.4967 128 E 4.1466 7.9247 111.5283 57.4137 29.5056 178.1303 129 R 4.3260 8.4083 120.7385 56.7349 27.7844 176.0582 130 A 4.5323 7.2552 117.6973 51.5047 20.6021 176.0284 131 A 3.8382 7.3506 118.9192 51.5813 18.0410 179.1263 132 K 4.2420 8.4422 124.2776 57.9252 30.4832 177.0367 133 E 4.2773 7.9371 132.0367 56.1406 28.4175 175.4644 134 E 4.5161 7.8414 119.5231 55.4562 32.7299 174.3302 135 A 4.0089 9.1032 127.8870 51.9254 16.7547 177.7451 136 Q 4.2658 7.2143 114.6437 57.3723 30.4644 176.0761 137 K 4.2013 7.5178 116.1559 56.1728 32.5073 177.2069 *138 A 4.1104 7.8899 126.1429 52.5287 18.7921 177.1038 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 1.97 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 7.31 4.36 0.00 2.84 2.71 0.00 0.00 6.72 6.78 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 3 R 7.63 4.50 0.00 1.86 1.84 0.00 3.33 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 4 G 8.60 3.89 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 0.00 0.00 0.00 5 A 8.18 3.97 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 6 L 8.11 4.10 0.00 1.72 1.72 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.71 3.76 2.03 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 1.73 1.25 0.96 0.00 0.00 8 K 7.48 3.88 0.00 1.89 1.93 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.53 7.81 9 L 7.52 4.22 0.00 1.76 1.70 0.93 0.76 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 10 V 7.99 3.76 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 0.74 0.00 0.00 1.00 0.00 0.00 11 E 7.94 4.42 0.00 2.23 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 2.25 2.31 0.00 12 S 7.47 4.07 0.00 3.74 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 13 R 8.25 4.07 0.00 1.51 0.99 0.00 3.11 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.39 0.00 14 Y 7.16 4.14 0.00 2.95 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 15 V 9.15 4.17 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 0.71 0.00 0.00 1.05 0.00 0.00 16 R 8.76 4.68 0.00 1.83 2.07 0.00 3.70 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 17 T 8.16 4.69 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 18 D 8.02 4.96 0.00 2.79 2.79 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 19 L 7.61 4.75 0.00 1.58 1.52 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.38 0.00 1.94 2.02 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 21 E 8.51 3.90 0.00 1.93 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 2.27 2.28 0.00 22 F 7.94 4.93 0.00 3.10 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 23 R 8.54 4.44 0.00 1.96 1.99 0.00 3.00 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 24 P 0.00 5.23 0.00 2.08 2.25 0.00 3.74 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 25 G 11.30 3.56 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 0.00 26 D 8.53 4.62 0.00 2.60 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 27 T 8.13 4.12 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 1.14 0.00 0.00 28 V 8.17 4.55 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 0.76 0.00 0.00 0.89 0.00 0.00 29 R 8.33 4.83 0.00 1.81 1.80 0.00 3.38 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 30 V 6.85 3.74 2.10 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 0.81 0.00 0.00 0.95 0.00 0.00 31 S 9.00 4.92 0.00 4.31 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 32 Y 8.68 4.71 0.00 3.10 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 33 K 7.03 3.33 0.00 1.96 1.72 0.00 1.55 0.00 0.00 1.22 0.00 0.00 2.61 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 1.34 7.81 34 V 7.64 5.25 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 0.79 0.00 0.00 0.97 0.00 0.00 35 K 9.49 4.35 0.00 2.06 2.07 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.14 7.81 36 E 9.29 3.57 0.00 2.17 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 2.34 2.28 0.00 37 G 8.73 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 0.00 0.00 0.00 38 N 7.62 4.76 0.00 2.91 2.78 0.00 0.00 6.98 7.54 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 39 R 6.82 3.04 0.00 1.97 2.09 0.00 3.18 0.00 0.00 3.43 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 40 T 7.56 4.14 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 41 R 8.38 4.62 0.00 1.94 2.02 0.00 3.41 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.31 0.00 42 I 7.33 3.63 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.95 0.00 0.00 43 Q 8.51 4.61 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 44 D 8.67 5.31 0.00 2.56 2.56 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 45 F 8.80 5.01 0.00 3.24 3.04 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 0.00 0.00 0.00 46 E 8.38 4.67 0.00 1.77 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 2.02 2.13 0.00 47 G 8.07 4.87 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 0.00 0.00 0.00 48 I 7.84 3.93 1.87 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 1.47 1.00 0.97 0.00 0.00 49 V 8.45 4.36 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 0.99 0.00 0.00 1.31 0.00 0.00 50 I 8.29 3.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.79 0.00 0.00 51 R 7.56 4.65 0.00 1.80 1.72 0.00 3.23 0.00 0.00 3.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 52 I 8.21 4.70 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.79 0.00 0.00 53 R 9.54 4.47 0.00 1.85 1.93 0.00 3.10 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 54 R 8.56 4.19 0.00 1.80 1.79 0.00 3.36 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 55 N 8.82 4.90 0.00 2.70 3.02 0.00 0.00 7.03 7.98 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 56 G 8.79 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 0.00 0.00 0.00 57 F 9.29 4.49 0.00 2.95 3.04 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 0.00 0.00 0.00 58 N 5.77 3.37 0.00 2.67 2.54 0.00 0.00 5.77 7.71 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 59 T 7.20 4.40 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 60 T 8.00 4.85 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 1.22 0.00 0.00 61 F 9.30 5.54 0.00 3.39 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 62 T 9.09 4.67 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 1.22 0.00 0.00 63 V 8.86 4.67 2.65 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 1.23 0.00 0.00 1.20 0.00 0.00 64 R 8.82 5.30 0.00 2.00 1.91 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 65 K 9.09 4.77 0.00 1.36 1.39 0.00 1.39 0.00 0.00 1.42 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.02 1.31 7.81 66 V 8.23 4.12 2.11 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 0.89 0.00 0.00 0.93 0.00 0.00 67 S 8.48 4.48 0.00 3.77 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 0.00 68 Y 8.29 3.41 0.00 3.17 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 69 G 8.06 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.39 3.54 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 0.94 0.00 0.00 0.97 0.00 0.00 71 G 8.60 4.19 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 0.00 72 V 8.17 4.26 2.32 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 0.88 0.00 0.00 0.98 0.00 0.00 73 E 8.38 4.88 0.00 1.80 1.77 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 2.25 2.37 0.00 74 R 8.41 4.13 0.00 0.67 0.90 0.00 2.21 0.00 0.00 2.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.59 0.00 75 I 7.52 4.47 1.63 0.00 0.00 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 1.18 0.39 0.83 0.00 0.00 76 F 8.46 5.02 0.00 2.19 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 77 P 0.00 4.50 0.00 2.21 2.04 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 78 L 9.28 3.97 0.00 2.16 2.00 0.92 0.92 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 79 H 7.79 4.85 0.00 3.36 3.38 0.00 5.96 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 80 S 9.20 4.51 0.00 4.15 4.08 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 81 P 0.00 4.78 0.00 0.49 1.54 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.52 0.00 82 L 8.24 5.36 0.00 1.59 1.87 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.62 2.96 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 1.51 0.53 0.94 0.00 0.00 84 Q 8.03 4.50 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 85 K 8.08 4.28 0.00 1.62 1.58 0.00 1.46 0.00 0.00 1.36 0.00 0.00 2.21 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.21 1.32 7.81 86 I 8.00 4.67 1.82 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 1.43 0.83 0.92 0.00 0.00 87 D 8.13 4.90 0.00 2.69 2.42 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 88 I 7.96 4.09 1.84 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 1.27 0.50 0.89 0.00 0.00 89 V 8.46 3.52 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 0.77 0.00 0.00 0.93 0.00 0.00 90 Q 8.80 4.44 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.32 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 91 R 8.26 4.56 0.00 1.66 1.23 0.00 3.31 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 92 G 9.60 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 93 R 7.54 3.85 0.00 1.97 2.06 0.00 3.09 0.00 0.00 2.81 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 94 A 8.24 3.75 1.40 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 0.00 0.00 0.00 95 R 8.41 4.22 0.00 1.82 2.00 0.00 3.37 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 96 R 7.57 4.63 0.00 1.89 1.87 0.00 3.06 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 97 A 8.00 3.78 1.24 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 0.00 0.00 0.00 98 K 7.76 3.92 0.00 1.69 1.12 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.36 7.81 99 L 7.50 4.56 0.00 1.63 1.81 0.73 0.87 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 0.00 100 Y 8.10 4.30 0.00 3.11 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 0.00 101 F 8.43 3.92 0.00 3.24 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 6.73 3.39 1.67 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.60 0.28 0.00 0.00 103 R 8.52 3.87 0.00 1.86 2.08 0.00 3.23 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 104 N 7.99 4.60 0.00 2.81 2.94 0.00 0.00 6.93 7.82 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 0.00 105 L 7.95 4.73 0.00 1.71 1.63 0.97 0.64 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 0.00 106 S 7.83 4.96 0.00 3.95 3.78 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 0.00 0.00 0.00 0.00 107 D 8.10 4.70 0.00 2.86 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 0.00 108 R 8.96 4.51 0.00 1.76 1.95 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 109 E 9.01 4.33 0.00 2.19 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 2.32 2.40 0.00 110 I 7.95 3.82 1.89 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 1.40 0.94 0.92 0.00 0.00 111 R 8.27 3.75 0.00 1.97 2.04 0.00 3.22 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 112 R 7.62 4.05 0.00 1.93 1.87 0.00 3.22 0.00 0.00 3.35 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 113 K 8.15 3.97 0.00 1.94 2.09 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.44 7.81 114 L 8.34 4.54 0.00 1.79 1.65 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.97 3.88 0.00 1.82 1.97 0.00 3.42 0.00 0.00 3.24 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.59 0.00 116 A 7.50 4.17 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 0.00 117 D 8.06 4.62 0.00 2.91 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 0.00 118 R 8.26 3.93 0.00 1.90 1.97 0.00 3.21 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 119 K 8.17 3.79 0.00 1.82 2.06 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.56 7.81 120 R 7.62 4.26 0.00 1.88 1.98 0.00 3.24 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 121 I 7.82 3.86 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 1.65 1.43 0.91 0.00 0.00 122 D 8.30 4.54 0.00 2.72 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 0.00 123 Q 7.46 4.43 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 124 D 9.36 4.73 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 125 R 7.67 3.86 0.00 2.00 1.98 0.00 3.28 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 126 A 7.90 4.07 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 0.00 127 A 8.17 4.16 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 0.00 128 E 7.92 4.15 0.00 2.16 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 2.24 2.55 0.00 129 R 8.41 4.33 0.00 1.73 1.91 0.00 3.25 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 130 A 7.26 4.53 1.24 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 0.00 0.00 0.00 131 A 7.35 3.84 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 0.00 132 K 8.44 4.24 0.00 1.87 1.88 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.43 7.81 133 E 7.94 4.28 0.00 1.93 1.93 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 2.29 2.35 0.00 134 E 7.84 4.52 0.00 1.89 1.77 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 2.17 2.31 0.00 135 A 9.10 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 0.00 136 Q 7.21 4.27 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.63 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 137 K 7.52 4.20 0.00 2.06 1.79 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.52 7.81 *138 A 7.89 4.11 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.