NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3846 8.0176 110.9338 61.3449 70.4089 174.4748 3 T 3.8391 8.3464 112.3283 64.5835 68.3900 175.0838 4 S 4.1250 8.8524 118.8429 61.5876 63.3506 177.5781 5 E 3.9837 8.1339 120.9771 59.6799 29.0783 179.1731 6 H 4.4979 8.4418 116.3772 58.9974 28.7235 177.9341 7 I 3.5382 8.3567 121.8771 64.1848 36.8411 178.3389 8 A 3.9582 8.3131 121.6516 55.0832 18.2135 179.5583 9 A 3.9806 8.1324 119.3457 55.3297 18.4591 179.9273 10 L 3.7176 7.9881 117.7742 57.9002 41.5736 179.8548 11 T 3.8676 8.1263 115.7810 66.5900 68.3512 176.5335 12 A 4.0220 8.1839 122.7879 55.0468 18.3115 179.4036 13 L 3.8386 7.8667 118.8610 58.2186 42.0684 179.4039 14 V 3.5100 7.6848 118.1982 65.8959 31.2517 177.5687 15 E 3.0637 7.6961 117.7751 59.2494 29.5301 178.5871 16 T 3.9505 7.7480 114.6780 66.7910 68.6320 175.3616 17 Y 4.4717 7.9721 120.1730 61.0657 38.7860 179.7866 18 V 3.2067 7.2191 107.8844 61.7413 31.4493 176.4734 *20 A 4.0768 7.8085 120.2439 52.4937 20.1211 179.6724 *22 T 4.3260 7.9358 117.2129 65.4055 70.2176 176.4979 23 R 4.0054 7.9977 116.9325 56.3443 30.6269 176.2676 24 G 3.6790 7.8237 105.4333 46.8627 0.0000 175.2611 25 D 4.5404 8.0148 120.4868 52.4101 40.7001 175.2291 26 R 3.7917 8.1762 126.0218 58.7387 30.4141 175.9037 27 P 4.2131 0.0000 0.0000 65.5859 31.1962 178.2855 28 A 4.0199 8.2033 119.3694 55.3653 18.4338 179.7655 29 L 4.3242 7.9151 117.1249 58.0536 41.4787 179.6065 30 E 4.1700 8.3593 117.7853 59.1528 29.4313 179.1659 31 R 4.1328 8.0697 117.7598 57.8421 30.5077 177.1880 32 I 4.2330 7.5864 109.1534 60.3168 38.8148 174.9474 33 F 5.0812 7.8397 119.9258 55.2878 41.4725 175.4127 34 F 4.3577 8.9823 123.9964 57.2631 39.3327 176.9627 35 G 3.8052 8.9908 112.7046 48.3088 0.0000 174.4805 36 K 4.3116 8.0922 116.3782 56.4964 32.7300 176.6517 37 A 4.6941 7.7547 121.1420 51.6663 19.2547 177.1347 38 S 4.9385 8.6015 114.3315 56.6338 67.8366 172.6609 39 E 4.8923 8.8210 123.1356 54.5060 31.7104 174.8094 40 V 4.5168 8.3823 127.3950 60.8024 34.7425 174.6461 41 G 3.0285 7.8962 113.3553 45.9408 0.0000 171.3911 42 H 5.3755 8.3817 117.2920 54.9628 30.3369 175.1779 43 Y 4.6344 9.2678 124.1052 57.2970 41.4520 174.6405 44 E 3.8888 9.5557 128.1776 57.5586 26.9848 175.8234 45 G 4.1212 8.4634 107.5519 45.6310 0.0000 174.2227 46 E 4.4441 7.8226 118.8395 55.1396 30.7126 174.9793 47 L 4.6659 8.4880 124.6384 54.6361 42.9334 175.6101 48 L 4.7422 9.0128 127.4375 53.2454 43.9235 175.7705 49 W 4.9856 8.8073 132.6565 55.6568 31.9000 172.8852 50 N 5.1207 9.2535 124.0635 51.2754 40.3754 175.4144 51 S 4.8431 8.6082 117.4837 57.4874 64.6244 175.1413 52 R 3.8091 8.6368 119.7799 59.5745 29.5995 177.6012 53 D 4.2805 8.1772 117.0807 57.3380 40.9901 178.0450 54 A 3.9322 7.8343 119.8671 55.0442 18.5098 178.8791 55 F 4.1683 8.1255 118.0926 61.6255 39.6156 177.0897 56 I 3.2151 7.7749 119.1259 63.9122 36.8563 178.9279 57 A 4.6428 7.7088 121.2389 52.3196 18.6295 178.9752 *59 C 4.5587 8.0614 119.9669 61.4807 30.3111 176.3553 60 E 3.9717 8.4026 119.2993 59.5280 29.2623 179.1605 61 D 4.2527 8.2097 117.4445 56.9703 40.8817 177.0970 62 A 4.3689 7.4998 118.1835 51.4641 19.1044 176.9557 63 A 4.2615 7.2698 120.4249 53.1185 18.8596 177.4170 64 D 4.5664 8.7624 120.2162 52.6418 43.7835 175.4290 65 A 4.2909 8.7258 128.7854 53.3376 19.1371 177.2010 66 E 4.5269 8.0328 113.9651 57.2992 31.5981 177.3306 67 T 3.9134 7.9650 114.7253 63.6714 68.9796 173.1514 68 D 4.7899 8.5031 126.1069 52.0023 41.6401 174.8720 69 P 4.4709 0.0000 0.0000 63.3596 32.4054 176.0092 *70 F 5.0111 8.5834 120.4790 55.6266 40.1619 175.1507 71 W 5.6761 8.3555 119.4684 55.1742 31.1153 173.3661 72 A 4.3914 9.2985 120.5649 50.8878 22.5991 175.7560 73 I 4.5171 8.3181 122.0733 60.5350 37.1987 175.8900 74 S 4.4397 9.0720 125.2003 60.9036 63.6615 174.9830 75 S 4.6666 7.6919 111.6574 57.2552 65.6808 173.7618 76 V 4.6406 8.2321 124.5902 61.4239 34.4180 174.3993 77 S 4.7877 8.5908 122.6452 56.6965 66.8622 173.0356 78 V 4.8303 8.3177 122.5544 61.3338 34.7539 174.9655 79 Q 4.3647 9.0161 126.0554 54.7889 32.1506 176.5463 80 G 3.8367 8.3868 115.5569 47.0232 0.0000 172.5055 81 D 4.6341 8.8719 124.2756 52.4109 39.5888 175.0459 82 I 5.3243 7.9878 112.8891 60.1609 41.0224 174.7097 83 A 5.4245 8.5601 123.7371 50.9880 22.5322 174.6913 *85 L 4.4485 8.4760 112.4695 55.2360 43.8748 175.6965 86 H 5.5781 9.1747 122.6055 54.6673 32.4065 172.5642 87 V 4.9711 9.0647 126.2671 61.2049 34.4571 173.8637 88 E 5.1950 9.2930 127.7762 55.2491 31.4208 174.6583 89 N 5.5695 9.3699 121.8543 52.6122 43.0996 172.5010 90 D 5.5067 8.6557 124.5804 52.8317 42.2183 176.0951 91 W 4.8652 9.1768 130.4413 57.5908 33.7221 174.0190 92 A 3.3372 8.8432 127.5102 52.9808 15.9654 176.2657 93 G 3.4537 7.1480 102.0805 47.4988 0.0000 175.0291 *95 R 4.5599 7.4353 117.5218 56.2351 32.0725 174.8612 96 F 5.5150 9.8120 124.2417 55.8400 43.4482 173.7668 97 D 5.4912 9.0419 120.6302 52.9146 43.4020 174.8321 98 D 5.4626 9.5615 124.4178 52.6341 43.5960 175.4786 99 F 5.5587 9.6118 122.9209 56.1421 40.9246 174.4416 100 L 5.1245 8.8885 124.6667 53.1271 43.9533 176.3127 101 T 4.7571 8.6616 120.0047 61.8832 71.0464 173.7869 102 V 5.0300 9.0081 125.3209 61.0346 35.7061 173.7567 103 L 5.3125 9.1165 127.1501 53.1475 45.4691 175.0794 104 L 3.8487 8.3235 129.1702 54.3070 42.2238 175.5613 105 H 4.6160 8.5981 126.3769 55.4544 32.9026 173.0109 106 E 3.6332 9.7537 127.3312 57.4365 26.6360 175.3768 107 G 4.0055 8.3732 105.4725 45.1004 0.0000 172.6446 108 S 4.7271 7.3491 113.2775 56.0469 66.9216 173.3989 109 W 4.8275 8.7951 121.5601 56.7453 29.6507 175.9498 110 R 4.7038 8.9834 123.2832 54.0824 33.8655 174.8044 111 I 4.0509 8.6099 124.6370 61.5953 37.5512 176.9437 112 V 4.0582 9.1528 127.8235 64.9762 33.0427 175.7390 113 S 4.7191 7.7660 113.3176 56.5481 66.2678 172.6346 114 K 4.9412 8.9693 126.9625 54.7529 35.0945 175.1035 115 V 5.0058 8.9002 120.5925 59.7095 35.2070 174.2934 116 Y 5.5253 8.2101 121.5209 55.5036 41.7388 174.4447 117 R 4.8042 9.0256 115.2026 54.7663 33.3703 173.8204 118 I 4.4498 8.3220 121.8967 59.9218 38.6843 175.9246 119 R 4.1577 8.5241 125.3786 56.4482 29.5847 176.5137 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 T 8.02 4.38 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 1.22 0.00 0.00 3 T 8.35 3.84 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 1.28 0.00 0.00 4 S 8.85 4.12 0.00 3.89 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 5 E 8.13 3.98 0.00 2.16 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 2.33 2.35 0.00 6 H 8.44 4.50 0.00 3.46 3.44 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 7 I 8.36 3.54 1.97 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 1.36 0.70 0.87 0.00 0.00 8 A 8.31 3.96 1.38 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 9 A 8.13 3.98 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 10 L 7.99 3.72 0.00 1.52 1.41 0.07 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.13 3.87 4.43 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 1.31 0.00 0.00 12 A 8.18 4.02 1.41 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 0.00 0.00 13 L 7.87 3.84 0.00 1.80 1.76 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.68 3.51 2.24 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 0.98 0.00 0.00 0.96 0.00 0.00 15 E 7.70 3.06 0.00 2.10 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 0.00 2.31 2.38 0.00 16 T 7.75 3.95 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 1.23 0.00 0.00 17 Y 7.97 4.47 0.00 2.79 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 18 V 7.22 3.21 1.65 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 0.48 0.00 0.00 -0.19 0.00 0.00 *20 A 7.81 4.08 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 *22 T 7.94 4.33 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 1.27 0.00 0.00 23 R 8.00 4.01 0.00 1.77 1.96 0.00 3.49 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 24 G 7.82 3.68 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 0.00 0.00 0.00 25 D 8.01 4.54 0.00 2.69 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 26 R 8.18 3.79 0.00 2.02 1.87 0.00 3.22 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 27 P 0.00 4.21 0.00 2.19 2.09 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 28 A 8.20 4.02 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 29 L 7.92 4.32 0.00 1.87 1.85 0.62 1.12 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 30 E 8.36 4.17 0.00 2.08 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 2.38 2.52 0.00 31 R 8.07 4.13 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 32 I 7.59 4.23 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.01 0.91 0.00 0.00 33 F 7.84 5.08 0.00 3.23 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 34 F 8.98 4.36 0.00 3.16 2.95 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 35 G 8.99 3.81 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 K 8.09 4.31 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 37 A 7.75 4.69 1.60 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 0.00 0.00 38 S 8.60 4.94 0.00 3.68 3.58 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 39 E 8.82 4.89 0.00 1.50 1.63 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 2.30 2.05 0.00 40 V 8.38 4.52 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 0.27 0.00 0.00 -0.74 0.00 0.00 41 G 7.90 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 0.00 0.00 0.00 42 H 8.38 5.38 0.00 3.03 3.27 0.00 5.88 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 43 Y 9.27 4.63 0.00 3.27 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 44 E 9.56 3.89 0.00 2.51 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 2.21 1.86 0.00 45 G 8.46 4.12 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 0.00 0.00 0.00 46 E 7.82 4.44 0.00 2.35 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 2.36 2.48 0.00 47 L 8.49 4.67 0.00 1.76 1.70 0.87 1.14 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 48 L 9.01 4.74 0.00 1.85 1.66 0.95 0.65 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 49 W 8.81 4.99 0.00 3.49 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 50 N 9.25 5.12 0.00 2.76 2.75 0.00 0.00 6.66 7.12 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 51 S 8.61 4.84 0.00 4.06 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 52 R 8.64 3.81 0.00 1.95 2.01 0.00 3.32 0.00 0.00 3.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 53 D 8.18 4.28 0.00 2.84 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 54 A 7.83 3.93 1.41 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 0.00 0.00 55 F 8.13 4.17 0.00 2.72 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 56 I 7.77 3.22 1.91 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 1.14 0.56 0.76 0.00 0.00 57 A 7.71 4.64 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 *59 C 8.06 4.56 0.00 2.83 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 60 E 8.40 3.97 0.00 2.13 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 2.41 2.34 0.00 61 D 8.21 4.25 0.00 2.71 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 62 A 7.50 4.37 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 63 A 7.27 4.26 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 64 D 8.76 4.57 0.00 2.52 2.47 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 65 A 8.73 4.29 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 66 E 8.03 4.53 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 2.23 2.38 0.00 67 T 7.96 3.91 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 1.23 0.00 0.00 68 D 8.50 4.79 0.00 2.70 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 69 P 0.00 4.47 0.00 2.33 2.12 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 *70 F 8.58 5.01 0.00 1.98 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 0.00 0.00 0.00 71 W 8.36 5.68 0.00 3.62 3.31 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 72 A 9.30 4.39 1.17 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 73 I 8.32 4.52 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.95 0.00 0.00 74 S 9.07 4.44 0.00 3.55 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 75 S 7.69 4.67 0.00 3.90 3.68 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 76 V 8.23 4.64 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 0.72 0.00 0.00 0.88 0.00 0.00 77 S 8.59 4.79 0.00 3.69 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 78 V 8.32 4.83 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 0.96 0.00 0.00 0.75 0.00 0.00 79 Q 9.02 4.36 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.63 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 80 G 8.39 3.84 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 0.00 0.00 0.00 81 D 8.87 4.63 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.99 5.32 1.94 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 1.37 0.75 0.95 0.00 0.00 83 A 8.56 5.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 L 8.48 4.45 0.00 1.53 1.61 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 86 H 9.17 5.58 0.00 3.28 3.21 0.00 5.54 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.06 4.97 2.27 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 1.14 0.00 0.00 1.01 0.00 0.00 88 E 9.29 5.19 0.00 2.02 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 2.53 2.22 0.00 89 N 9.37 5.57 0.00 2.99 2.71 0.00 0.00 6.75 8.11 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 90 D 8.66 5.51 0.00 2.77 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 91 W 9.18 4.87 0.00 3.17 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 92 A 8.84 3.34 0.30 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 93 G 7.15 3.45 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 0.00 *95 R 7.44 4.56 0.00 1.99 1.87 0.00 3.16 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 96 F 9.81 5.52 0.00 3.10 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 97 D 9.04 5.49 0.00 2.49 2.39 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 98 D 9.56 5.46 0.00 2.78 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 99 F 9.61 5.56 0.00 2.88 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 0.00 100 L 8.89 5.12 0.00 1.34 1.36 0.37 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.66 4.76 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 1.27 0.00 0.00 102 V 9.01 5.03 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 1.17 0.00 0.00 0.80 0.00 0.00 103 L 9.12 5.31 0.00 1.88 1.72 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.32 3.85 0.00 0.27 0.69 0.12 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.60 4.62 0.00 3.32 3.16 0.00 5.98 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.75 3.63 0.00 1.95 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 2.06 1.80 0.00 107 G 8.37 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 0.00 0.00 0.00 108 S 7.35 4.73 0.00 3.81 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 0.00 109 W 8.80 4.83 0.00 3.14 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 0.00 110 R 8.98 4.70 0.00 0.99 1.03 0.00 2.31 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.28 0.00 111 I 8.61 4.05 0.78 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.28 0.65 0.00 0.00 112 V 9.15 4.06 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 0.87 0.00 0.00 1.00 0.00 0.00 113 S 7.77 4.72 0.00 3.88 3.60 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 0.00 114 K 8.97 4.94 0.00 1.85 1.53 0.00 1.68 0.00 0.00 1.30 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.39 7.81 115 V 8.90 5.01 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 0.56 0.00 0.00 1.01 0.00 0.00 116 Y 8.21 5.53 0.00 3.18 2.90 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 0.00 117 R 9.03 4.80 0.00 1.88 1.92 0.00 2.79 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 118 I 8.32 4.45 1.77 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 0.36 0.75 0.59 0.00 0.00 119 R 8.52 4.16 0.00 1.65 1.82 0.00 3.22 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.