NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3526 8.3449 119.1241 54.9893 29.8770 173.8275 2 V 4.7333 7.7646 109.7071 59.9484 33.6599 173.7768 3 Q 4.6364 9.1531 119.8753 55.8373 32.6693 172.2130 4 L 4.8331 8.5779 120.0702 53.0377 43.8826 175.9626 5 V 4.5105 8.4964 123.9178 61.2790 33.4889 174.1340 6 E 5.8666 10.1767 127.8837 54.4989 32.3908 175.1581 7 S 4.3391 8.3915 116.0927 57.5714 66.4565 174.7722 *9 G 3.8194 8.7294 108.1391 45.0905 0.0000 173.8984 10 G 3.8497 7.0665 106.8678 45.3757 0.0000 171.9249 11 N 4.6512 8.1107 119.5542 52.1166 42.5979 172.9865 12 L 4.3929 8.5310 125.9321 55.5505 42.8348 176.4116 13 V 4.6054 8.8278 118.7630 59.5430 36.6619 174.7448 14 Q 4.5645 8.4829 123.2516 55.0292 30.8027 173.1343 15 P 4.5250 0.0000 0.0000 63.3441 31.7393 176.7421 16 G 4.0602 8.7019 112.2954 45.2381 0.0000 174.1992 17 G 3.8941 7.8709 107.2258 46.4258 0.0000 173.3376 18 S 5.2600 8.0210 115.8382 56.8115 65.9461 172.8495 19 L 4.2062 7.5826 116.8056 54.3544 45.9967 172.6776 20 R 4.8122 8.6304 126.3093 54.6437 31.8396 175.0482 21 L 4.8689 8.4108 126.9450 53.8520 44.2585 175.8277 22 S 5.3825 8.8183 113.8739 57.3784 67.1610 172.6103 23 C 5.3486 9.2554 120.9805 55.2281 46.9386 171.9965 24 A 5.0085 9.0870 128.3411 50.3661 20.7276 175.4647 25 A 4.6404 8.4125 123.7109 50.3366 20.8555 176.8999 26 S 4.2901 8.1254 114.8232 58.1700 66.2278 175.1798 27 G 3.8516 8.9518 111.3544 45.4762 0.0000 172.8783 *29 F 4.6616 7.3718 112.1899 57.1444 38.8586 174.0255 30 T 4.6743 8.4074 116.9246 61.8868 69.1724 175.9171 31 F 4.9452 9.2015 130.2182 60.9462 39.6609 176.7839 32 G 3.6984 8.2865 108.7002 48.0546 0.0000 173.7032 33 S 4.2779 7.8494 113.5228 58.2777 62.2664 172.9015 *39 F 5.0799 7.7859 118.2070 58.0289 40.0350 175.5446 40 S 4.6698 8.1420 119.5452 58.6202 64.0272 173.3023 41 M 5.1425 8.1957 116.7022 54.7887 35.0883 173.6183 42 S 5.2809 8.9178 115.0115 56.6765 68.3119 173.1017 43 W 5.2483 9.0935 120.3629 55.1737 32.1385 174.8793 44 V 5.0405 8.9629 125.5781 61.0436 33.8592 174.7725 45 R 4.9831 8.8356 123.7523 54.7696 32.8696 175.2638 46 Q 4.5184 8.6458 120.6352 54.4258 31.3640 174.0269 47 A 4.1499 8.6814 129.3677 51.3467 19.0508 174.9402 48 P 4.2015 0.0000 0.0000 64.4814 30.9805 177.1725 49 G 3.8821 9.1031 111.9454 45.3542 0.0000 172.5197 50 G 4.0134 7.6932 109.1500 43.9927 0.0000 172.4522 51 G 4.1769 8.0929 108.2931 43.3380 0.0000 172.9771 52 L 4.5089 8.1685 118.4965 55.0002 42.7392 177.0819 53 E 4.7162 8.9840 122.6383 54.5093 32.9596 174.5507 54 W 4.7682 9.1911 135.0000 58.2263 31.6185 174.9982 55 V 4.0870 7.1489 121.1943 63.6750 34.4113 174.6912 56 A 4.1693 6.1225 118.5040 52.2695 22.6439 174.5789 57 G 4.5170 7.6569 104.6601 45.7964 0.0000 172.2057 58 L 5.3058 8.6057 119.4411 52.8449 45.3732 176.7762 59 S 4.0092 8.5062 119.0329 58.0839 63.4635 173.4020 60 A 3.8598 8.2801 124.2893 54.7366 17.1529 178.7729 61 R 3.9287 7.8798 114.3077 57.5814 32.0073 177.1920 *65 S 5.1005 7.4538 110.7751 58.2865 63.8048 176.2314 66 S 4.6683 8.3011 107.3557 57.0715 63.4282 174.7165 67 L 4.5988 7.7753 121.0636 53.8780 43.3823 178.1259 68 T 5.1926 8.4129 114.2777 60.6756 70.6835 173.9028 69 H 5.1797 8.5113 118.8163 54.5681 33.2649 171.8958 70 Y 5.0097 8.9712 118.1966 56.0065 41.6780 174.7599 71 A 4.7107 8.1928 122.9196 51.1426 19.6572 178.3475 72 D 4.3944 9.2372 121.7264 57.7236 41.3291 179.4973 73 S 4.0506 8.2343 112.1413 61.4689 63.1725 175.5161 74 V 3.7057 7.3100 113.2107 59.8816 31.3288 176.0267 75 K 4.0087 7.2673 120.1738 57.8143 32.1095 176.8358 76 G 3.9840 8.6296 112.2944 45.4649 0.0000 174.6264 77 R 4.2187 7.7653 117.7979 58.0311 30.8685 176.0566 78 F 5.4431 7.7573 114.7944 56.4738 40.7423 175.9510 79 T 4.9687 8.8741 117.9624 61.9867 73.1089 173.2188 80 I 5.1721 8.8960 123.8355 58.5731 40.2286 174.3422 81 S 4.9885 8.7536 124.3682 56.7317 66.1627 172.7297 82 R 4.5345 8.3444 116.0701 54.4931 32.2051 175.6933 83 D 4.6850 8.5789 118.0934 51.6562 41.2289 174.9844 84 N 4.2725 8.6077 120.8903 55.6938 39.1762 176.5579 85 A 4.1301 8.1860 120.0374 54.8533 18.6914 178.0767 86 K 4.3561 8.1221 112.5164 55.5163 32.3462 176.3396 87 N 4.1297 8.1978 116.5158 53.8442 37.4458 172.4889 88 S 5.1255 7.5466 109.5281 57.4929 67.8550 173.3069 89 V 4.3931 8.5423 118.6547 61.6150 34.5228 173.6291 90 Y 5.3672 8.1247 125.2606 56.5310 40.9482 174.6214 91 L 4.6366 8.6035 124.1240 53.3096 44.4139 175.5723 92 Q 4.3150 9.0388 130.4072 55.5039 29.8115 174.1150 93 M 3.8431 8.2077 127.5390 53.9650 33.1198 175.5479 94 N 5.1115 8.5591 120.6659 50.9962 41.9078 174.5578 95 S 3.8047 8.4758 114.0132 59.4951 60.7567 173.0087 96 L 4.2939 7.6560 119.0257 55.2018 42.6519 177.3445 97 R 4.9598 9.2124 119.5183 54.0328 33.9741 176.9620 98 V 3.7076 8.3123 118.6957 65.9578 31.6652 177.9834 99 E 4.1292 8.0979 117.9642 58.6981 29.6380 177.6742 100 D 4.5848 8.0270 118.1116 56.9059 41.0411 176.5331 101 T 4.2463 7.3052 115.3563 64.4628 68.9913 173.5725 102 A 4.5207 8.2018 128.6355 51.6110 23.8101 175.2317 103 V 4.3145 7.5005 119.8465 61.5281 32.9794 174.9526 104 Y 4.6646 8.9472 124.2272 57.1547 39.2182 174.6449 105 Y 5.3331 9.5405 123.1333 57.0130 40.7230 172.3642 106 C 5.0852 8.9603 114.9410 53.5896 44.5037 172.6307 107 A 4.9938 8.2705 122.4683 50.0232 22.6023 174.9788 108 R 4.8080 8.1868 116.4634 54.9766 32.1655 175.7636 109 R 4.7651 8.5876 120.8427 53.6563 32.0274 176.2945 110 S 4.7726 7.8481 120.3620 57.8298 63.6361 173.8465 111 Y 3.9787 8.8423 123.5536 57.4982 38.8424 174.6766 112 D 4.5708 7.9278 127.9511 53.4900 41.5896 175.7267 113 S 4.1747 8.8145 121.9685 61.4764 62.6601 174.4643 114 S 4.1958 7.2566 111.8437 58.1378 63.1477 173.3191 115 G 3.7198 9.6661 108.9436 45.4361 0.0000 171.4916 116 Y 4.0393 6.4686 114.1501 55.3690 40.5764 173.6875 *129 A 4.4555 8.3647 122.5129 53.5949 19.0422 177.2708 130 G 4.1248 9.6372 110.9127 46.4530 0.0000 172.5544 131 H 4.6651 7.9548 116.6168 55.4758 29.9306 174.0395 132 F 4.2131 8.1542 117.1805 57.8370 40.2090 175.4503 133 Y 5.2105 7.3697 117.2307 56.1432 38.2182 174.4062 134 S 4.5009 7.9124 115.6432 58.8256 65.0413 174.9776 135 Y 4.8209 7.2260 117.2697 55.0064 40.5496 174.3592 136 M 4.7041 8.7678 121.2235 54.0839 32.5525 175.3315 137 D 4.8414 8.3465 123.2843 53.2441 41.2799 176.6973 138 V 4.3764 7.3506 119.3287 61.1206 34.1332 174.2921 139 W 5.0295 9.1140 127.7879 55.3083 31.2026 176.5269 140 G 4.2808 9.1891 110.5962 45.0758 0.0000 173.6359 141 Q 4.4621 8.7884 116.5938 56.1829 29.4826 176.5571 142 G 3.8771 9.5144 104.4951 45.0388 0.0000 172.7081 143 T 4.5488 7.8877 112.8951 60.5675 70.9722 172.1523 144 L 4.5448 8.7065 131.4362 54.7645 43.9561 175.2094 145 V 4.4366 8.6970 126.4118 61.6461 33.7632 174.0366 146 T 4.8335 8.3192 125.4389 61.8049 70.8721 173.9146 147 V 4.6676 7.7836 127.0509 62.0745 32.8471 175.5468 148 S 4.3366 8.3261 122.0235 57.3499 62.5864 173.8163 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 Q 8.34 4.35 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 2 V 7.76 4.73 2.34 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 0.93 0.00 0.00 0.86 0.00 0.00 3 Q 9.15 4.64 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 4 L 8.58 4.83 0.00 1.52 1.53 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.50 4.51 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 1.08 0.00 0.00 0.92 0.00 0.00 6 E 10.18 5.87 0.00 2.01 2.06 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 2.33 2.34 0.00 7 S 8.39 4.34 0.00 3.88 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 *9 G 8.73 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 0.00 0.00 0.00 10 G 7.07 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 11 N 8.11 4.65 0.00 2.87 2.56 0.00 0.00 6.85 6.66 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 12 L 8.53 4.39 0.00 1.69 1.56 0.92 0.87 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 13 V 8.83 4.61 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 0.80 0.00 0.00 0.90 0.00 0.00 14 Q 8.48 4.56 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 15 P 0.00 4.53 0.00 2.08 1.98 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 16 G 8.70 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 0.00 0.00 0.00 17 G 7.87 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 18 S 8.02 5.26 0.00 3.88 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 19 L 7.58 4.21 0.00 1.58 1.24 0.81 0.63 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 20 R 8.63 4.81 0.00 1.82 1.64 0.00 3.04 0.00 0.00 2.95 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 21 L 8.41 4.87 0.00 1.20 1.49 0.30 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.82 5.38 0.00 4.31 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 23 C 9.26 5.35 0.00 2.91 3.17 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 24 A 9.09 5.01 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 25 A 8.41 4.64 0.02 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 0.00 0.00 26 S 8.13 4.29 0.00 3.73 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 27 G 8.95 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 *29 F 7.37 4.66 0.00 3.40 3.25 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 30 T 8.41 4.67 4.34 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 1.29 0.00 0.00 31 F 9.20 4.95 0.00 2.79 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 32 G 8.29 3.70 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 0.00 0.00 0.00 33 S 7.85 4.28 0.00 3.71 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 *39 F 7.79 5.08 0.00 3.47 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 40 S 8.14 4.67 0.00 3.53 3.73 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 41 M 8.20 5.14 0.00 1.80 2.05 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.92 0.00 42 S 8.92 5.28 0.00 3.64 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 43 W 9.09 5.25 0.00 3.18 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 44 V 8.96 5.04 2.55 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 1.20 0.00 0.00 1.15 0.00 0.00 45 R 8.84 4.98 0.00 0.70 1.34 0.00 2.85 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.18 0.00 46 Q 8.65 4.52 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 47 A 8.68 4.15 1.32 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 0.00 0.00 0.00 48 P 0.00 4.20 0.00 2.07 2.06 0.00 3.73 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 2.05 2.11 0.00 49 G 9.10 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 0.00 0.00 0.00 50 G 7.69 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 51 G 8.09 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 52 L 8.17 4.51 0.00 1.59 1.75 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.98 4.72 0.00 2.09 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 2.27 2.36 0.00 54 W 9.19 4.77 0.00 3.38 3.28 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 55 V 7.15 4.09 2.31 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 1.02 0.00 0.00 1.00 0.00 0.00 56 A 6.12 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.66 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.61 5.31 0.00 1.40 1.37 0.74 1.00 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 59 S 8.51 4.01 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 60 A 8.28 3.86 0.68 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 61 R 7.88 3.93 0.00 1.87 1.94 0.00 3.05 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 *65 S 7.45 5.10 0.00 3.99 3.73 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 66 S 8.30 4.67 0.00 3.74 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 67 L 7.78 4.60 0.00 1.63 1.57 0.94 0.62 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 T 8.41 5.19 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 1.25 0.00 0.00 69 H 8.51 5.18 0.00 3.45 3.40 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.97 5.01 0.00 2.77 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 71 A 8.19 4.71 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 72 D 9.24 4.39 0.00 2.77 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 73 S 8.23 4.05 0.00 3.90 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 74 V 7.31 3.71 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 0.00 0.00 0.18 0.00 0.00 0.76 0.00 0.00 75 K 7.27 4.01 0.00 1.91 1.69 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.53 7.81 76 G 8.63 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 0.00 0.00 0.00 77 R 7.77 4.22 0.00 1.97 2.32 0.00 3.47 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 78 F 7.76 5.44 0.00 2.81 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 79 T 8.87 4.97 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 1.29 0.00 0.00 80 I 8.90 5.17 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.86 0.83 0.00 0.00 81 S 8.75 4.99 0.00 4.00 4.03 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 82 R 8.34 4.53 0.00 1.76 1.78 0.00 2.88 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 83 D 8.58 4.68 0.00 2.65 2.40 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 84 N 8.61 4.27 0.00 2.74 2.89 0.00 0.00 7.19 7.35 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 85 A 8.19 4.13 1.32 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 0.00 0.00 0.00 86 K 8.12 4.36 0.00 1.82 1.90 0.00 2.14 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.42 7.81 87 N 8.20 4.13 0.00 2.84 2.69 0.00 0.00 6.62 7.63 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 88 S 7.55 5.13 0.00 3.93 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 89 V 8.54 4.39 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 1.01 0.00 0.00 0.33 0.00 0.00 90 Y 8.12 5.37 0.00 2.94 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 91 L 8.60 4.64 0.00 0.45 0.53 0.53 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 9.04 4.31 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 93 M 8.21 3.84 0.00 1.08 1.39 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.00 94 N 8.56 5.11 0.00 2.81 2.69 0.00 0.00 7.27 6.90 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 95 S 8.48 3.80 0.00 3.98 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 96 L 7.66 4.29 0.00 1.92 1.62 0.90 0.65 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 97 R 9.21 4.96 0.00 1.79 1.78 0.00 3.12 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 98 V 8.31 3.71 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 1.02 0.00 0.00 0.95 0.00 0.00 99 E 8.10 4.13 0.00 2.00 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 2.40 0.00 100 D 8.03 4.58 0.00 2.97 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 0.00 101 T 7.31 4.25 4.35 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 1.29 0.00 0.00 102 A 8.20 4.52 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 0.00 103 V 7.50 4.31 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 0.73 0.00 0.00 0.42 0.00 0.00 104 Y 8.95 4.66 0.00 3.03 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 0.00 105 Y 9.54 5.33 0.00 3.50 3.32 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 0.00 106 C 8.96 5.09 0.00 1.79 1.58 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 0.00 107 A 8.27 4.99 0.09 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 0.00 0.00 0.00 0.00 0.00 108 R 8.19 4.81 0.00 1.98 1.94 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.13 0.00 109 R 8.59 4.77 0.00 1.67 1.83 0.00 3.07 0.00 0.00 3.21 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.00 110 S 7.85 4.77 0.00 3.90 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 0.00 111 Y 8.84 3.98 0.00 3.07 3.01 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 0.00 112 D 7.93 4.57 0.00 2.71 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 0.00 113 S 8.81 4.17 0.00 3.95 3.91 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 0.00 0.00 0.00 0.00 114 S 7.26 4.20 0.00 3.88 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 0.00 115 G 9.67 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 0.00 116 Y 6.47 4.04 0.00 3.05 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *129 A 8.36 4.46 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.64 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 0.00 131 H 7.95 4.67 0.00 1.87 2.63 0.00 5.64 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.15 4.21 0.00 2.79 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 0.00 0.00 0.00 0.00 133 Y 7.37 5.21 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.91 4.50 0.00 4.06 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 0.00 135 Y 7.23 4.82 0.00 3.19 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 0.00 136 M 8.77 4.70 0.00 1.46 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 137 D 8.35 4.84 0.00 2.92 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 0.00 138 V 7.35 4.38 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 0.98 0.00 0.00 0.76 0.00 0.00 139 W 9.11 5.03 0.00 3.14 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 0.00 140 G 9.19 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 0.00 0.00 0.00 0.00 141 Q 8.79 4.46 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 142 G 9.51 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 0.00 0.00 0.00 143 T 7.89 4.55 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 1.41 0.00 0.00 144 L 8.71 4.54 0.00 1.84 1.54 0.96 0.84 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 0.00 145 V 8.70 4.44 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 0.85 0.00 0.00 0.66 0.00 0.00 146 T 8.32 4.83 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 0.00 147 V 7.78 4.67 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 0.81 0.00 0.00 1.02 0.00 0.00 148 S 8.33 4.34 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.