NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 5.4799 7.9432 120.2171 54.0878 42.9730 177.2138 9 R 3.6103 9.0244 122.3684 58.7084 30.0178 176.1857 10 E 4.0377 8.6002 113.4655 58.8726 30.6105 179.5781 11 Q 4.3125 8.2578 113.8225 56.0849 28.6345 180.6752 12 Y 4.7576 8.0697 114.4888 57.1382 40.7220 175.4863 13 L 4.4141 8.3884 121.6856 55.7958 43.3271 176.5230 14 H 5.0425 7.9368 117.3778 54.1668 33.0739 172.6068 15 F 5.1964 8.5802 122.0711 55.7308 42.5404 174.4174 16 Q 4.5983 8.5364 122.1876 53.7373 31.9890 172.5269 17 P 4.8284 0.0000 0.0000 63.1941 32.3148 175.8405 18 I 4.7100 8.5320 121.5889 59.9103 41.6868 174.3985 19 S 4.7633 8.6988 121.9837 57.8388 64.4693 174.1363 20 T 4.6298 8.0150 114.7284 61.6358 70.5212 173.8605 21 R 5.0307 9.5041 121.6551 53.8071 33.0660 176.9084 22 W 2.5746 8.4441 130.0781 60.5420 30.3829 177.0417 23 H 4.4675 7.9449 113.3686 56.1382 29.7628 175.1158 24 D 4.3764 7.8662 119.8484 57.9735 40.8839 176.8623 25 N 4.6539 7.2743 115.1191 53.0640 39.3063 174.8478 26 D 4.6835 8.5447 123.3769 51.9041 41.9354 176.7381 27 I 3.5708 7.8092 111.0936 63.6179 37.5777 175.9373 28 Y 4.5076 7.7458 117.7513 58.0069 38.0685 176.2955 29 G 3.8215 8.5670 108.6101 45.2610 0.0000 172.5554 30 H 5.1427 7.7821 115.2927 52.9937 33.5637 172.8858 31 V 4.0710 8.8599 120.7676 63.1928 31.6900 175.4657 32 N 4.5631 9.0091 127.4617 53.7544 39.2725 175.2302 33 N 4.0465 8.9820 122.2388 56.2138 37.5392 177.3223 34 V 3.8543 7.9704 117.9645 66.0872 31.5174 178.1642 35 T 3.6376 7.7384 115.1691 66.4546 68.1191 176.1181 36 Y 3.4172 7.5810 117.5180 60.8492 37.6284 178.0655 37 Y 3.5495 7.6920 117.3916 60.2505 37.7964 177.9429 38 A 3.9285 7.5418 121.6782 54.9809 18.5382 179.3493 39 F 4.5035 7.5373 116.2957 60.9502 39.0226 177.8411 40 F 4.5096 8.3373 117.2477 60.8661 38.7621 177.4377 41 D 4.3018 8.4170 118.6098 57.7321 40.6041 179.1547 42 T 3.9510 8.3270 116.2018 66.4991 68.5695 176.7301 43 A 4.4899 8.6412 124.3115 54.7224 18.4015 179.6635 44 V 3.4484 7.8149 116.6305 66.5250 31.6420 178.1014 45 N 4.4988 8.4276 115.9890 56.3444 38.2893 177.5479 46 T 3.9214 8.2273 117.5286 66.8150 68.5795 175.6960 47 Y 3.9912 8.0194 120.9839 60.9127 38.7983 178.0815 48 L 4.0996 8.4910 120.1255 57.9931 41.4857 179.7917 49 I 3.9939 7.7314 118.7304 64.4293 37.2789 177.9792 50 E 4.1203 8.4391 118.6407 58.4611 29.4494 178.4950 51 R 4.4479 8.0930 116.0136 55.6866 32.0317 177.3879 52 G 3.9800 7.7513 102.7688 43.1591 0.0000 173.5561 53 G 3.9790 7.9419 107.6076 45.8646 0.0000 173.4948 54 L 3.8350 7.9743 121.2403 55.1519 42.4191 176.3158 55 D 4.7642 8.5548 125.8888 52.4889 40.8118 176.2375 56 I 3.9412 8.1358 120.2440 62.8368 38.4783 177.8065 57 Q 4.1885 8.4155 119.8825 58.1421 28.8910 176.8010 58 G 4.1487 8.5854 101.7467 44.4946 0.0000 172.8934 59 G 3.7416 8.3226 111.5996 46.3657 0.0000 174.6772 60 E 4.3176 8.7468 119.3859 57.6092 31.2345 175.9206 61 V 5.0278 7.8180 117.1750 61.4781 34.0860 174.8066 62 I 4.8485 9.1138 120.2977 59.2027 41.5079 173.9722 63 G 3.7895 8.6450 110.1879 44.5983 0.0000 172.9464 64 L 4.9711 8.6036 124.3503 52.5775 45.3076 175.8330 65 V 4.5859 8.4805 122.7439 63.0536 31.5174 175.8761 66 V 4.4433 8.5207 121.2476 62.1006 33.3137 176.0928 67 S 4.8598 7.9648 113.0988 57.7337 65.7368 173.9644 68 S 5.5455 8.5616 114.8843 57.9908 66.0702 172.8807 69 S 4.9491 9.3506 114.0390 58.2441 66.4512 172.7248 70 C 4.9700 8.4756 119.2855 58.4361 34.3708 172.5060 71 D 4.7562 8.7738 124.5644 52.4557 44.0697 174.4209 72 Y 4.1860 8.1920 119.6488 56.3630 39.3345 175.2166 73 F 4.9506 8.7254 123.4256 58.4960 40.9426 176.4253 74 A 4.6523 7.7958 118.6520 50.1844 21.8236 173.6132 75 P 4.8368 0.0000 0.0000 62.3878 33.0564 175.5321 76 V 4.9083 8.1462 112.2566 59.7651 35.9327 174.4220 77 A 5.0830 9.3009 123.0936 49.9145 22.6966 175.7570 78 F 4.5393 9.2559 123.4062 57.7982 39.7931 173.1469 79 P 3.9965 0.0000 0.0000 62.3565 31.3507 175.6285 80 Q 4.2002 8.1664 118.8793 56.9230 29.7357 175.8528 81 R 4.6324 8.4804 118.8963 55.3843 31.3325 175.1838 82 I 4.6959 7.9641 116.1754 59.1281 40.7629 174.2054 83 E 5.4049 8.2014 123.8730 54.5797 33.7560 174.8098 *85 G 3.4511 8.5825 109.2937 46.9088 0.0000 171.6351 86 L 5.4993 8.6884 124.9369 53.0954 45.8176 175.3350 87 R 4.9612 9.1808 121.1659 54.7330 33.8066 173.6453 88 V 4.0381 8.6046 120.5237 62.3868 32.5878 174.5988 89 A 4.3089 9.2418 134.6701 52.6802 18.1126 177.4299 90 R 4.4998 7.0248 110.0326 54.0464 32.6676 177.9494 91 L 4.6969 8.4911 124.7350 52.6790 43.6327 175.5961 92 G 4.1470 8.4822 118.8624 44.3057 0.0000 171.5062 93 N 4.4553 8.8510 116.7608 56.2478 39.2280 177.0604 94 S 5.2060 8.3004 108.8942 56.6183 65.0227 173.3569 95 S 5.4375 7.9854 114.7880 57.1265 66.8630 173.1356 96 V 4.7543 8.7400 119.9374 60.1887 35.1618 173.5443 97 Q 4.7265 8.7999 125.0555 54.8190 30.8422 173.7219 98 Y 4.9915 8.7865 124.7629 56.5121 40.6923 174.4536 99 E 5.1398 9.3836 122.4198 54.6571 32.3447 175.1331 100 L 5.7424 9.0565 123.5041 51.9142 45.7040 175.4500 101 A 4.8660 7.8074 122.0935 50.1520 22.3494 174.9960 102 L 4.7309 8.5740 124.1848 53.7468 44.1114 175.3615 103 F 5.2429 9.1905 124.4934 55.6579 42.6356 174.6842 104 L 4.9054 8.5152 120.8624 53.6463 43.6197 175.8723 105 E 3.8291 8.3373 120.3593 57.7951 30.0072 177.7485 106 G 3.9518 8.6680 115.9835 47.3001 0.0000 173.1780 107 Q 4.7306 8.1341 118.4691 53.3855 31.0851 179.1331 108 R 4.2025 8.7085 122.1256 58.6443 30.0593 176.4565 *109 E 4.7200 8.0398 112.7295 54.4342 30.9197 178.4857 110 A 3.8120 8.3493 125.5178 51.7433 19.3474 177.6309 111 C 4.6158 9.1232 119.4604 62.4788 29.6261 173.5179 112 A 4.4681 7.8310 117.6497 51.0159 22.3889 175.0464 113 A 4.9860 8.4276 120.2339 51.3497 23.3252 176.3956 114 G 4.1768 8.9172 107.0513 46.1196 0.0000 172.0289 115 R 5.5982 8.9565 114.8627 54.6042 33.5067 174.0070 116 F 5.5116 8.6310 113.8282 55.9257 42.1907 172.6527 117 V 4.7689 8.8640 119.3518 61.5711 33.7115 173.8885 118 H 5.4500 8.7891 125.1235 54.4891 30.9016 174.0124 119 V 4.6082 8.6339 123.2876 61.2360 33.8337 174.4274 120 F 5.1035 9.1644 127.1888 56.8499 40.4396 175.0342 121 V 4.9213 9.2230 125.2318 61.4124 35.6683 174.8298 122 E 4.5425 9.1502 127.0660 57.3475 29.8871 178.7341 123 R 3.8132 9.0560 129.4385 60.1180 29.4983 175.7728 124 R 4.1027 8.3316 116.9926 58.8024 29.5670 179.4998 125 S 4.5028 8.0078 110.9889 57.7365 64.3300 175.2591 126 S 4.0234 9.2276 117.9429 59.1274 60.7934 170.3395 127 R 4.2070 8.0191 122.6949 55.8888 30.0526 178.4547 128 P 4.7491 0.0000 0.0000 62.7420 32.1932 176.0391 129 V 4.6756 9.1865 115.5984 58.9169 36.2637 174.8445 130 A 4.2583 8.7844 124.0665 52.6768 18.7930 177.6090 131 I 3.6033 8.3430 123.4938 60.5551 37.7153 174.7676 132 P 4.2071 0.0000 0.0000 63.5189 32.2417 177.6200 133 Q 4.0295 9.0671 126.4909 61.3666 27.8112 179.3256 134 E 4.2569 8.1241 119.9222 60.7569 29.6076 180.9863 135 L 4.0862 7.6886 119.1232 57.7864 41.7479 179.2207 136 R 3.8449 8.2945 121.4895 60.2696 29.9128 178.9164 137 D 4.3350 8.6710 120.9279 58.2931 39.6192 180.3565 138 A 4.3700 7.7261 123.9154 55.7087 18.6756 180.1361 139 L 4.2300 8.4097 120.9256 59.4888 41.0221 181.3344 140 A 4.1775 8.3901 121.4198 54.9589 18.1152 179.4282 141 A 4.1089 7.9974 118.1641 54.3410 18.6210 178.1359 142 L 4.3622 7.9045 118.8203 55.1787 42.1831 177.5207 143 Q 4.6291 7.8936 122.8782 54.4093 28.0907 179.9628 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 8 L 7.94 5.48 0.00 1.59 1.62 0.92 0.54 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 9 R 9.02 3.61 0.00 1.85 1.78 0.00 3.04 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.70 0.00 10 E 8.60 4.04 0.00 1.98 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 2.23 1.89 0.00 11 Q 8.26 4.31 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 12 Y 8.07 4.76 0.00 2.59 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 13 L 8.39 4.41 0.00 1.56 1.67 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.94 5.04 0.00 3.12 2.92 0.00 5.72 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 15 F 8.58 5.20 0.00 2.88 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 16 Q 8.54 4.60 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 17 P 0.00 4.83 0.00 2.10 2.02 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 18 I 8.53 4.71 1.46 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 1.27 0.75 0.79 0.00 0.00 19 S 8.70 4.76 0.00 3.92 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 20 T 8.02 4.63 4.55 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 1.26 0.00 0.00 21 R 9.50 5.03 0.00 2.01 1.86 0.00 3.22 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 22 W 8.44 2.57 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.94 4.47 0.00 3.18 3.27 0.00 5.82 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.87 4.38 0.00 2.96 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 25 N 7.27 4.65 0.00 2.34 2.53 0.00 0.00 7.01 7.94 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 26 D 8.54 4.68 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.57 1.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.73 0.00 0.00 28 Y 7.75 4.51 0.00 3.15 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 29 G 8.57 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 30 H 7.78 5.14 0.00 3.11 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.86 4.07 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 0.51 0.00 0.00 0.99 0.00 0.00 32 N 9.01 4.56 0.00 2.71 2.60 0.00 0.00 6.49 6.43 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 33 N 8.98 4.05 0.00 2.34 2.26 0.00 0.00 5.83 7.68 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 34 V 7.97 3.85 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 0.99 0.00 0.00 0.95 0.00 0.00 35 T 7.74 3.64 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 0.74 0.00 0.00 36 Y 7.58 3.42 0.00 2.63 2.38 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 37 Y 7.69 3.55 0.00 3.03 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 38 A 7.54 3.93 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.54 4.50 0.00 3.28 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 40 F 8.34 4.51 0.00 3.13 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 41 D 8.42 4.30 0.00 2.93 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 42 T 8.33 3.95 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 43 A 8.64 4.49 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 44 V 7.81 3.45 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 0.43 0.00 0.00 0.67 0.00 0.00 45 N 8.43 4.50 0.00 3.00 2.95 0.00 0.00 7.13 6.44 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 46 T 8.23 3.92 4.56 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 1.32 0.00 0.00 47 Y 8.02 3.99 0.00 3.17 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 48 L 8.49 4.10 0.00 1.98 1.86 1.29 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.73 3.99 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.79 0.92 0.00 0.00 50 E 8.44 4.12 0.00 1.98 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 2.34 2.35 0.00 51 R 8.09 4.45 0.00 1.06 1.33 0.00 3.25 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 52 G 7.75 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 53 G 7.94 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 54 L 7.97 3.84 0.00 1.66 1.69 1.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.55 4.76 0.00 2.74 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 56 I 8.14 3.94 1.91 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 1.45 0.74 0.96 0.00 0.00 57 Q 8.42 4.19 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 58 G 8.59 4.15 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 0.00 59 G 8.32 3.74 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 0.00 0.00 0.00 60 E 8.75 4.32 0.00 1.67 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 2.29 1.87 0.00 61 V 7.82 5.03 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 1.17 0.00 0.00 0.96 0.00 0.00 62 I 9.11 4.85 1.91 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 1.20 1.14 0.95 0.00 0.00 63 G 8.65 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 64 L 8.60 4.97 0.00 1.52 1.54 0.92 0.62 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 65 V 8.48 4.59 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 0.89 0.00 0.00 1.02 0.00 0.00 66 V 8.52 4.44 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 0.76 0.00 0.00 0.96 0.00 0.00 67 S 7.96 4.86 0.00 3.91 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 68 S 8.56 5.55 0.00 4.23 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 69 S 9.35 4.95 0.00 4.00 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 C 8.48 4.97 0.00 2.29 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 0.00 0.00 0.00 71 D 8.77 4.76 0.00 2.21 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 0.00 0.00 0.00 72 Y 8.19 4.19 0.00 2.49 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 4.95 0.00 2.90 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 74 A 7.80 4.65 1.29 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 75 P 0.00 4.84 0.00 1.88 1.92 0.00 3.72 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 1.85 1.87 0.00 76 V 8.15 4.91 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 0.79 0.00 0.00 1.01 0.00 0.00 77 A 9.30 5.08 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 78 F 9.26 4.54 0.00 3.11 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 79 P 0.00 4.00 0.00 1.79 0.90 0.00 3.64 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 80 Q 8.17 4.20 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 81 R 8.48 4.63 0.00 1.85 2.02 0.00 2.87 0.00 0.00 3.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 82 I 7.96 4.70 1.72 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.60 0.81 0.00 0.00 83 E 8.20 5.40 0.00 2.07 1.83 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 2.20 2.08 0.00 *85 G 8.58 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 86 L 8.69 5.50 0.00 1.60 1.49 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.18 4.96 0.00 1.90 1.89 0.00 2.81 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 88 V 8.60 4.04 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 0.79 0.00 0.00 0.87 0.00 0.00 89 A 9.24 4.31 1.18 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 90 R 7.02 4.50 0.00 1.53 1.80 0.00 3.21 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 91 L 8.49 4.70 0.00 1.46 1.53 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.48 4.15 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 0.00 93 N 8.85 4.46 0.00 2.82 2.83 0.00 0.00 6.44 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 94 S 8.30 5.21 0.00 4.10 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 95 S 7.99 5.44 0.00 3.97 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 96 V 8.74 4.75 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 0.50 0.00 0.00 0.60 0.00 0.00 97 Q 8.80 4.73 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 98 Y 8.79 4.99 0.00 2.43 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.38 5.14 0.00 1.97 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 2.22 2.12 0.00 100 L 9.06 5.74 0.00 0.64 1.17 0.53 1.05 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 0.00 101 A 7.81 4.87 0.55 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 0.00 102 L 8.57 4.73 0.00 1.92 1.68 0.87 0.73 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 0.00 103 F 9.19 5.24 0.00 3.06 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 0.00 104 L 8.52 4.91 0.00 1.67 1.61 0.97 1.01 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 0.00 105 E 8.34 3.83 0.00 1.84 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 2.32 2.28 0.00 106 G 8.67 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 0.00 0.00 0.00 107 Q 8.13 4.73 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 108 R 8.71 4.20 0.00 1.73 1.96 0.00 3.20 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 *109 E 8.04 4.72 0.00 1.98 1.75 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 2.19 1.87 0.00 110 A 8.35 3.81 1.04 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 0.00 0.00 111 C 9.12 4.62 0.00 3.06 3.33 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 0.00 112 A 7.83 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.43 4.99 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 0.00 114 G 8.92 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 0.00 115 R 8.96 5.60 0.00 1.96 2.19 0.00 3.03 0.00 0.00 3.31 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 116 F 8.63 5.51 0.00 3.46 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 0.00 117 V 8.86 4.77 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 1.00 0.00 0.00 0.96 0.00 0.00 118 H 8.79 5.45 0.00 3.07 2.34 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.63 4.61 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 1.06 0.00 0.00 0.94 0.00 0.00 120 F 9.16 5.10 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 9.22 4.92 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 1.05 0.00 0.00 1.00 0.00 0.00 122 E 9.15 4.54 0.00 1.70 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 2.24 2.14 0.00 123 R 9.06 3.81 0.00 1.58 1.89 0.00 3.24 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 124 R 8.33 4.10 0.00 1.82 1.88 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 125 S 8.01 4.50 0.00 3.97 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 0.00 126 S 9.23 4.02 0.00 3.98 4.09 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 0.00 127 R 8.02 4.21 0.00 1.51 1.82 0.00 3.30 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 128 P 0.00 4.75 0.00 1.95 2.08 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 129 V 9.19 4.68 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 1.05 0.00 0.00 130 A 8.78 4.26 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 0.00 131 I 8.34 3.60 1.73 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 1.20 0.84 0.42 0.00 0.00 132 P 0.00 4.21 0.00 2.08 1.93 0.00 3.31 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 133 Q 9.07 4.03 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 134 E 8.12 4.26 0.00 1.96 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 1.98 0.00 135 L 7.69 4.09 0.00 1.65 1.41 0.70 0.83 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 0.00 136 R 8.29 3.84 0.00 1.83 2.03 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 137 D 8.67 4.34 0.00 2.67 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 0.00 138 A 7.73 4.37 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 0.00 139 L 8.41 4.23 0.00 1.66 1.69 0.92 1.04 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 0.00 140 A 8.39 4.18 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 0.00 141 A 8.00 4.11 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 0.00 142 L 7.90 4.36 0.00 1.82 1.62 0.12 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.89 4.63 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.