NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.9603 8.1331 118.2950 58.3192 39.5532 173.5771 4 G 4.2262 8.9351 107.5923 44.6933 0.0000 169.8432 5 I 5.3287 9.2302 121.7035 59.2916 40.9040 173.3579 6 V 4.9682 9.1753 126.7956 61.1783 34.4145 173.9867 7 I 5.1635 9.2241 128.7856 59.5943 39.9672 174.6363 8 V 4.8854 9.2851 126.8110 61.2377 34.1993 174.2595 9 S 5.4578 9.2004 121.9495 56.7693 66.0837 174.1146 10 H 4.6811 10.2119 120.2586 57.2945 29.8542 175.2012 11 S 4.9512 8.1880 114.4383 55.0396 64.6868 172.7496 12 P 4.3761 0.0000 0.0000 66.1890 30.8940 178.5464 13 E 3.9838 8.0919 117.7578 59.0031 29.5409 178.7952 14 I 3.6422 7.8578 119.6846 64.4589 37.2603 177.9785 15 A 4.0020 7.8604 121.1334 55.5044 18.2902 179.7167 16 S 4.1588 8.1795 111.5578 61.4479 62.4952 176.5484 17 G 3.6207 8.6908 108.8679 47.6178 0.0000 175.5280 18 L 3.9648 8.4395 123.1794 57.7668 42.1140 178.7299 19 K 3.8660 8.0916 119.6203 59.5946 31.8108 178.8588 20 K 3.9693 7.7233 117.1202 59.2210 31.9589 178.6559 21 L 4.1351 8.0020 120.5816 58.5259 41.9722 179.2168 22 I 3.7423 8.1429 119.8804 64.4353 36.4810 178.6611 23 R 3.9134 8.3983 119.2839 59.1702 29.5878 178.8076 24 E 4.0885 7.8402 117.3745 58.4327 29.4950 178.0047 25 V 4.2991 7.6847 108.7913 61.0372 33.3946 176.3608 26 A 4.8042 7.2715 121.2792 51.1608 19.7227 176.3910 27 K 4.1421 8.0033 121.0573 57.8492 32.9146 178.2508 28 N 4.8038 8.2212 114.3111 53.0165 39.7840 175.3630 29 I 3.9495 7.5386 111.3212 60.3067 38.6375 175.7246 30 S 4.3421 8.5232 118.1001 58.6170 63.6704 173.1421 31 L 5.1799 8.4786 126.8180 53.7154 44.7487 175.3555 32 T 4.7990 9.2626 123.2728 61.6668 71.7869 173.2376 33 A 5.1927 8.6363 126.7916 50.2571 21.8101 175.1316 34 I 4.6525 9.1359 116.5192 59.3866 40.8940 174.9906 35 G 4.8129 8.5288 110.8428 45.9044 0.0000 173.2280 36 G 4.1757 8.8778 110.3101 44.2129 0.0000 172.4967 37 L 4.4889 8.3326 119.3018 53.0535 43.0945 177.8802 38 E 3.9340 8.8539 119.1238 59.9052 29.2149 178.3383 39 N 4.5517 8.1420 112.4757 52.7591 37.5968 175.8295 40 G 3.8961 8.3744 107.3460 45.7754 0.0000 173.7929 41 E 4.2313 8.4741 121.0404 55.0407 30.4134 175.9823 42 I 4.1532 8.3720 124.3431 60.3348 37.7764 176.4058 43 G 4.1721 7.4606 114.0350 44.9950 0.0000 171.0896 44 T 4.5359 7.7285 109.1446 59.6282 70.3579 173.3382 45 S 4.5572 8.4544 121.9208 56.4692 63.2586 174.2101 46 F 4.1511 9.0862 130.5948 61.5065 39.4424 175.8489 47 D 4.3785 8.2893 118.9388 57.4140 41.0744 177.8851 48 R 3.9786 7.8919 118.3464 59.3878 30.3490 179.6487 49 V 3.6748 7.6117 113.7234 63.8865 31.1702 177.0975 *51 N 4.7027 8.3284 116.9273 52.8903 40.2178 176.7491 52 A 4.1907 8.1277 119.8678 54.9798 18.0500 179.7482 53 I 3.7657 7.4615 117.9756 64.3870 37.2594 178.0705 54 E 4.1122 7.9017 118.3289 59.3879 29.4840 178.6978 55 E 4.0617 8.5997 118.1601 58.2472 29.9382 177.5758 56 N 4.4625 7.3447 116.9358 53.7084 39.4889 174.6536 57 E 4.1176 8.6802 123.3019 57.9104 30.1830 176.9277 58 A 4.3610 8.0538 121.4645 51.8969 19.4783 176.5544 59 D 4.8480 8.3728 117.1191 54.1177 43.9336 175.7463 60 N 5.3123 7.9315 116.4407 51.2782 41.5205 173.2929 61 L 5.2866 9.4898 125.2852 52.8959 44.9071 175.5899 62 L 5.2409 9.2774 125.2161 53.9616 43.0458 175.8302 63 T 5.2906 8.7576 114.4891 59.9588 72.2010 173.1848 64 F 5.1404 9.1858 121.1357 56.0368 43.6114 173.6135 65 F 6.0900 8.4103 115.8710 54.9914 40.8878 174.0133 66 D 4.6246 9.2551 118.6522 55.3682 39.8675 176.4846 67 L 4.9869 8.0264 118.8052 51.3440 44.7162 177.5855 68 G 3.7692 8.8800 109.2046 48.9388 0.0000 176.1688 69 S 4.1229 8.1577 113.1946 60.8997 63.6421 175.4259 70 A 4.1026 8.2795 124.3122 55.0775 18.3524 180.0471 71 R 3.1901 7.1600 112.2823 56.9838 29.6753 177.9152 *73 N 4.8535 8.3257 114.9627 52.9502 40.6409 176.7502 74 L 3.9626 7.7930 117.7234 57.9017 41.4051 179.1863 75 D 4.2585 8.1530 117.0597 57.1382 41.4839 177.7779 76 L 4.1446 7.9659 119.0455 58.1216 41.5148 179.4841 77 V 3.6909 7.9583 116.7131 66.1829 31.4734 177.4416 78 S 4.2585 8.1141 112.0824 61.2273 62.4117 175.1189 79 E 4.2375 7.7953 119.8710 56.0635 30.3037 176.4310 *81 T 4.1147 7.2496 111.5951 62.1108 68.3739 172.9609 82 D 4.5766 8.4238 123.2043 55.4133 41.4541 177.4115 83 K 4.1706 7.6147 119.4365 56.3524 32.9197 176.4855 84 E 4.2460 9.1960 126.4040 55.6360 30.3990 174.8378 85 L 5.1816 8.4466 127.2185 53.4217 44.0141 176.0500 86 T 4.4134 9.0325 120.2628 61.7571 71.0764 173.3081 87 I 4.5481 7.8718 126.6352 58.8551 38.9700 174.9230 88 F 4.5467 8.3161 126.8622 55.2253 40.0478 177.0974 89 N 4.8502 8.4882 126.9781 52.7152 37.5838 173.2448 90 V 4.8016 6.9379 112.0618 58.2768 36.3757 174.3039 91 P 4.2113 0.0000 0.0000 62.8780 31.9170 177.2164 92 L 3.9147 8.6260 125.0785 58.5706 42.5173 179.1530 93 I 3.6756 7.7355 118.6781 64.5119 37.1949 178.2280 94 E 4.0272 8.0701 118.9637 59.2624 29.3596 179.6612 95 G 3.4609 8.3150 105.7654 47.7527 0.0000 175.7167 96 A 2.5800 7.5321 123.6921 54.1892 18.2823 178.9851 97 Y 3.8182 8.1442 118.4293 61.0968 38.8646 178.5481 98 T 3.7406 7.9590 116.2105 66.5221 68.4982 176.3391 99 A 3.8437 7.7033 122.4907 55.3199 18.3154 179.8781 100 S 3.9352 7.8731 113.2560 61.5458 62.9644 176.7500 101 A 3.7568 7.5349 123.3080 55.1325 18.0059 179.7206 102 L 3.8486 7.7900 117.4011 57.7463 41.6671 179.5542 103 L 3.8768 8.0975 120.5868 58.0026 41.8258 178.4058 104 E 3.8784 8.1557 118.1868 59.3472 29.6949 178.2381 105 A 4.2561 7.5932 116.9547 52.5354 18.3969 177.7515 106 G 3.7545 7.8273 105.3114 45.7229 0.0000 174.1283 107 A 4.1498 7.8513 122.1100 51.4871 19.1588 179.3119 108 T 4.1916 8.1083 111.1981 60.9102 71.0919 175.5240 109 F 3.8181 8.5403 123.3438 61.5879 39.1512 176.7863 110 E 3.7663 8.3241 117.8789 59.2980 29.5383 178.4532 111 A 3.9142 7.7917 120.1811 55.1367 18.3401 179.6946 112 I 3.4779 7.6049 118.2526 64.2070 37.1699 178.4796 113 K 3.7266 7.7433 120.6119 59.4948 31.7709 178.1043 114 E 3.9161 7.9991 118.3417 59.6335 29.5830 178.6885 115 Q 4.0915 7.9061 117.4898 59.0163 28.5986 178.6891 116 L 3.9940 7.8205 118.9536 57.6228 41.6371 178.9076 117 E 4.2070 8.5137 118.4211 59.0710 29.4604 179.8388 118 K 4.0537 7.5094 118.0775 55.9742 31.3669 176.6645 *120 L 4.3001 7.8697 117.9677 54.6175 42.6497 176.4685 121 I 4.5976 8.2513 116.0456 59.1491 40.2788 176.1454 122 E 4.4105 8.3991 121.5767 54.9855 27.9770 176.8148 123 K 4.2678 8.1570 121.0795 56.2792 32.4038 176.6148 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 3 Y 8.13 4.96 0.00 2.99 3.06 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 4 G 8.94 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 0.00 0.00 0.00 0.00 5 I 9.23 5.33 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.07 1.06 0.00 0.00 6 V 9.18 4.97 2.18 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 1.04 0.00 0.00 1.00 0.00 0.00 7 I 9.22 5.16 1.94 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 1.18 0.79 0.98 0.00 0.00 8 V 9.29 4.89 2.23 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 1.00 0.00 0.00 1.00 0.00 0.00 9 S 9.20 5.46 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 10.21 4.68 0.00 3.17 3.38 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.19 4.95 0.00 3.86 3.71 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 12 P 0.00 4.38 0.00 2.31 2.40 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 13 E 8.09 3.98 0.00 2.05 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 2.40 2.41 0.00 14 I 7.86 3.64 2.03 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 1.47 0.56 0.93 0.00 0.00 15 A 7.86 4.00 1.46 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 0.00 0.00 16 S 8.18 4.16 0.00 3.93 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 17 G 8.69 3.62 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 0.00 18 L 8.44 3.96 0.00 1.82 1.72 0.93 0.52 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 19 K 8.09 3.87 0.00 1.98 1.81 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.51 7.81 20 K 7.72 3.97 0.00 1.95 1.86 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.45 7.81 21 L 8.00 4.14 0.00 1.88 1.90 0.90 0.87 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 22 I 8.14 3.74 1.94 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 1.49 0.57 0.83 0.00 0.00 23 R 8.40 3.91 0.00 1.97 1.98 0.00 3.29 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 24 E 7.84 4.09 0.00 2.20 2.05 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 2.36 2.52 0.00 25 V 7.68 4.30 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 0.74 0.00 0.00 0.59 0.00 0.00 26 A 7.27 4.80 1.15 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 0.00 0.00 27 K 8.00 4.14 0.00 1.75 1.88 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.40 7.81 28 N 8.22 4.80 0.00 2.94 2.84 0.00 0.00 7.02 6.96 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 29 I 7.54 3.95 1.90 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 1.55 0.53 0.93 0.00 0.00 30 S 8.52 4.34 0.00 3.85 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 31 L 8.48 5.18 0.00 1.59 1.51 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 T 9.26 4.80 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 1.23 0.00 0.00 33 A 8.64 5.19 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 34 I 9.14 4.65 1.88 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 1.19 1.41 0.92 0.00 0.00 35 G 8.53 4.81 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 0.00 0.00 0.00 36 G 8.88 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 37 L 8.33 4.49 0.00 1.89 1.63 0.94 0.96 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 38 E 8.85 3.93 0.00 1.94 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 2.33 2.39 0.00 39 N 8.14 4.55 0.00 2.82 2.92 0.00 0.00 6.07 7.00 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 41 E 8.47 4.23 0.00 2.26 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 2.32 2.34 0.00 42 I 8.37 4.15 1.90 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 1.37 0.94 1.02 0.00 0.00 43 G 7.46 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 0.00 0.00 0.00 44 T 7.73 4.54 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 0.98 0.00 0.00 45 S 8.45 4.56 0.00 3.98 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 46 F 9.09 4.15 0.00 3.01 3.10 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 47 D 8.29 4.38 0.00 2.73 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 48 R 7.89 3.98 0.00 1.89 1.95 0.00 3.28 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 49 V 7.61 3.67 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 0.90 0.00 0.00 0.99 0.00 0.00 *51 N 8.33 4.70 0.00 3.05 2.85 0.00 0.00 6.91 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 52 A 8.13 4.19 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 53 I 7.46 3.77 1.82 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 1.74 0.81 0.89 0.00 0.00 54 E 7.90 4.11 0.00 2.07 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 2.29 2.36 0.00 55 E 8.60 4.06 0.00 1.98 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 2.34 2.40 0.00 56 N 7.34 4.46 0.00 2.78 2.73 0.00 0.00 7.26 7.87 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 57 E 8.68 4.12 0.00 1.98 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 2.30 2.36 0.00 58 A 8.05 4.36 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 59 D 8.37 4.85 0.00 2.47 2.61 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 60 N 7.93 5.31 0.00 2.12 2.64 0.00 0.00 6.95 6.74 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 61 L 9.49 5.29 0.00 1.53 1.62 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 L 9.28 5.24 0.00 1.97 1.97 1.37 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.76 5.29 4.30 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 1.26 0.00 0.00 64 F 9.19 5.14 0.00 3.02 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 65 F 8.41 6.09 0.00 3.04 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 66 D 9.26 4.62 0.00 2.75 2.88 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 67 L 8.03 4.99 0.00 1.79 1.63 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.88 3.77 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 0.00 0.00 0.00 69 S 8.16 4.12 0.00 4.04 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 70 A 8.28 4.10 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 71 R 7.16 3.19 0.00 0.67 1.48 0.00 2.93 0.00 0.00 2.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 0.00 *73 N 8.33 4.85 0.00 3.07 2.96 0.00 0.00 7.02 6.74 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 74 L 7.79 3.96 0.00 1.86 1.70 1.07 0.93 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 75 D 8.15 4.26 0.00 2.65 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 0.00 0.00 0.00 0.00 76 L 7.97 4.14 0.00 2.14 2.01 0.89 0.61 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 77 V 7.96 3.69 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 0.74 0.00 0.00 0.79 0.00 0.00 78 S 8.11 4.26 0.00 4.04 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 79 E 7.80 4.24 0.00 2.16 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 2.34 2.44 0.00 *81 T 7.25 4.11 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 1.22 0.00 0.00 82 D 8.42 4.58 0.00 2.69 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 83 K 7.61 4.17 0.00 1.65 1.72 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.37 7.81 84 E 9.20 4.25 0.00 2.00 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 2.19 2.26 0.00 85 L 8.45 5.18 0.00 1.51 1.53 0.95 0.89 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 86 T 9.03 4.41 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 0.53 0.00 0.00 87 I 7.87 4.55 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.37 0.97 0.00 0.00 88 F 8.32 4.55 0.00 2.68 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 89 N 8.49 4.85 0.00 2.97 2.83 0.00 0.00 6.93 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 90 V 6.94 4.80 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 0.95 0.00 0.00 1.22 0.00 0.00 91 P 0.00 4.21 0.00 2.17 2.01 0.00 3.60 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 2.10 2.07 0.00 92 L 8.63 3.91 0.00 1.87 1.64 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.74 3.68 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 1.61 0.48 0.83 0.00 0.00 94 E 8.07 4.03 0.00 2.01 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 2.34 2.35 0.00 95 G 8.32 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 0.00 0.00 0.00 96 A 7.53 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.14 3.82 0.00 3.04 3.06 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 98 T 7.96 3.74 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 1.14 0.00 0.00 99 A 7.70 3.84 1.20 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 0.00 0.00 100 S 7.87 3.94 0.00 3.81 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 0.00 101 A 7.53 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.79 3.85 0.00 1.81 1.64 0.82 0.31 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 0.00 103 L 8.10 3.88 0.00 1.84 1.80 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.16 3.88 0.00 1.97 2.05 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 2.45 2.35 0.00 105 A 7.59 4.26 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 0.00 106 G 7.83 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 0.00 0.00 0.00 107 A 7.85 4.15 1.22 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 0.00 0.00 108 T 8.11 4.19 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 1.23 0.00 0.00 109 F 8.54 3.82 0.00 2.44 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 0.00 110 E 8.32 3.77 0.00 2.18 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 2.40 2.44 0.00 111 A 7.79 3.91 1.28 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 0.00 0.00 0.00 112 I 7.60 3.48 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.67 0.00 0.00 113 K 7.74 3.73 0.00 1.42 1.74 0.00 1.71 0.00 0.00 1.26 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.61 7.81 114 E 8.00 3.92 0.00 2.03 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 0.00 2.30 2.35 0.00 115 Q 7.91 4.09 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 116 L 7.82 3.99 0.00 1.44 1.66 -0.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.51 4.21 0.00 2.09 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 2.39 2.50 0.00 118 K 7.51 4.05 0.00 1.86 1.83 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.60 7.81 *120 L 7.87 4.30 0.00 1.69 1.70 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.25 4.60 1.89 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 1.31 0.69 0.92 0.00 0.00 122 E 8.40 4.41 0.00 2.00 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 2.28 2.28 0.00 123 K 8.16 4.27 0.00 2.12 1.93 0.00 1.74 0.00 0.00 2.08 0.00 0.00 3.27 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.