NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2698 8.2644 123.5872 51.4717 18.6231 175.9595 1 M 3.8339 8.3901 118.5775 54.4332 32.3277 176.1346 2 F 4.4362 8.8960 121.6092 58.7966 39.6137 173.7423 3 H 5.2210 6.4883 114.2068 53.5665 31.8115 172.3472 4 Y 4.7964 8.7528 120.1094 56.2271 41.1311 174.4273 5 T 5.0608 8.0372 122.1146 61.7919 72.6002 173.6955 6 V 4.3414 8.4181 117.4859 59.5388 35.8930 174.3997 7 D 4.9812 8.5179 123.3178 53.6683 41.8240 176.2472 8 V 4.7289 8.2005 115.7185 59.5114 34.5409 176.2840 9 S 4.2423 8.3857 117.9182 60.6427 63.4778 175.1524 10 T 4.1291 7.6201 110.3806 60.7630 69.6159 174.7947 11 G 3.8912 8.1746 109.4165 43.8689 0.0000 174.1826 12 M 3.9632 8.5090 118.7692 58.7716 31.7995 178.5761 13 N 4.2735 8.0940 115.3609 56.8013 38.8047 177.3383 14 E 4.0256 8.0937 119.0467 59.4590 29.4751 179.4925 15 T 3.8301 8.1035 116.1558 66.6978 68.4625 176.7162 16 I 3.6895 7.8889 121.7452 64.2771 37.1914 178.2888 17 E 4.0987 8.1472 119.3612 59.7475 29.3923 179.7673 18 R 3.9672 8.1893 118.0760 59.0126 30.0051 178.9835 19 L 3.9672 8.2701 120.6463 58.1457 42.1271 178.8006 20 E 4.0293 8.4285 118.7459 59.5363 29.3779 179.2959 21 E 4.0134 8.1621 118.3364 59.3845 29.3775 179.3295 22 S 4.1295 8.2504 113.2556 61.2959 62.3646 176.2240 23 L 4.1370 8.3949 122.2018 57.6624 41.3520 179.2572 24 K 4.0497 8.1875 119.6141 59.7435 31.8937 178.4913 25 Q 4.0319 8.0272 118.6333 58.6905 28.9303 177.2085 26 E 4.6169 7.6566 115.8371 55.6975 30.1586 176.9359 27 G 3.8686 8.2981 107.8817 45.5473 0.0000 173.1086 28 F 4.6086 8.4820 118.7165 55.6379 40.6483 175.6081 29 G 4.1878 8.4771 113.0379 43.5553 0.0000 172.4284 30 V 4.2984 8.2314 121.1133 61.7584 31.6297 175.8212 31 L 4.4391 8.8682 128.9345 57.1088 42.4937 177.5042 32 W 5.1133 7.9402 126.3466 56.3061 34.1647 172.8974 33 Q 4.7977 8.3407 127.3224 54.0845 31.4306 174.0662 34 F 4.3766 8.6655 128.1351 56.4027 42.6404 173.6318 35 S 4.4054 8.4345 121.8140 56.9146 61.9136 174.3592 36 V 2.7146 7.4252 126.6089 65.8544 31.2334 177.4957 37 T 4.1010 7.8459 114.7152 66.7525 68.3233 175.8969 38 E 3.8905 7.8531 120.8898 59.2437 29.4895 178.6189 39 K 4.8371 7.6157 119.5303 59.0584 32.5247 178.3326 40 L 4.2517 8.0559 119.0182 57.8318 41.8139 179.3793 41 Q 4.1281 8.5167 118.3616 58.6046 28.5144 178.4811 42 E 4.1506 8.4114 118.6152 58.4236 29.5181 178.1584 43 K 4.5638 7.8768 117.6928 55.6146 32.3700 177.1700 44 G 3.9232 7.7118 107.1534 45.9818 0.0000 174.1356 45 L 4.3233 7.6612 118.3954 53.9400 42.5358 176.9442 46 D 4.5850 8.3349 121.5598 52.8773 39.7131 174.2712 47 F 4.6833 8.2147 125.0966 56.8736 41.2243 173.8393 48 S 4.3935 7.9659 122.1078 58.1878 64.2146 174.5173 49 T 3.7295 6.4059 118.8445 62.6521 68.6493 172.1748 50 P 4.3657 0.0000 0.0000 62.9243 32.5061 175.2442 51 M 5.2643 9.1040 124.1292 54.3562 36.2487 173.3766 52 V 4.4903 9.4875 126.2445 61.0940 34.9605 173.9125 53 I 4.9452 8.7337 128.4606 59.5735 39.7727 174.4665 54 L 5.2045 9.1438 126.4155 52.9970 45.0627 175.1707 55 E 4.9008 9.3866 123.7833 55.2765 31.3317 175.6456 56 V 5.4322 8.1942 117.9764 58.4716 35.8667 174.5910 *58 N 4.1855 8.4155 117.8132 53.1381 38.6843 172.9255 59 P 4.2146 0.0000 0.0000 66.1187 31.4272 178.4853 60 Q 3.9618 8.0232 115.8420 58.9419 28.6465 178.5948 61 E 3.9500 8.2365 119.0669 59.0737 29.3748 179.2057 62 A 3.9859 8.1529 120.6604 55.1913 18.5052 179.4834 63 A 3.9151 8.2285 119.5865 55.1689 17.5294 179.6234 64 R 3.8272 8.1038 117.1892 59.9922 30.1733 179.2698 65 V 3.9747 7.8837 111.9590 64.3128 31.3346 178.6877 66 L 4.0961 8.0821 118.3114 57.6301 41.5559 178.6621 67 N 4.5676 8.2512 114.4944 54.7973 38.6490 176.1826 68 E 4.6221 7.2843 119.8077 56.7342 30.7705 175.7576 69 N 4.5288 8.0091 117.3091 51.3937 41.2973 174.2864 70 L 4.0106 8.7172 128.8955 58.3398 42.1112 178.3690 71 L 3.8391 8.1947 118.2358 56.4222 41.3562 179.2571 72 V 4.0712 8.0244 119.7354 64.0304 31.3534 178.3451 73 G 3.7311 8.2860 106.9054 47.8107 0.0000 174.7752 74 Y 4.1943 8.0475 117.4163 59.5091 37.7221 176.5296 75 F 5.1138 8.0803 117.6107 56.9054 40.1258 174.6459 76 L 4.9433 7.6600 120.4621 52.3317 44.3677 173.7962 77 P 4.0837 0.0000 0.0000 64.4658 30.5535 177.0245 *79 K 4.4617 8.4702 121.1216 56.9092 34.1159 175.1070 80 L 5.1424 8.9938 125.5122 53.0179 46.2910 175.5793 81 V 4.9080 9.0099 121.3364 61.2136 35.1098 174.1301 82 V 5.0052 9.0682 128.2409 61.3365 33.8042 173.9260 83 Y 5.2616 8.4600 124.6266 55.8891 42.2541 173.3576 84 Q 4.8270 8.8932 121.1722 54.3285 31.1556 174.2856 85 E 4.5653 8.8231 127.8019 55.3232 32.1003 175.3787 86 N 3.9179 9.5957 123.8986 54.5908 35.8737 175.3133 87 G 3.8791 8.4003 103.5960 45.9653 0.0000 173.7091 88 T 4.5354 7.4793 114.3353 60.1882 70.0203 172.8299 89 T 4.7545 8.0320 123.6739 62.7945 70.6259 173.8354 90 K 4.9357 8.5440 123.1283 54.7641 37.3039 175.1905 91 I 4.9595 8.5137 122.1273 59.6802 40.6190 175.1188 92 G 4.7466 9.4173 113.3914 45.0914 0.0000 170.9027 93 M 5.3698 8.7638 116.3451 52.9830 34.8413 172.5320 94 P 4.8438 0.0000 0.0000 62.5094 32.8680 176.1833 95 K 4.1653 9.5053 123.2764 55.7372 32.6945 176.3553 96 P 4.2562 0.0000 0.0000 66.0161 31.2547 178.8568 97 T 3.9429 8.3048 108.4671 64.8799 68.4127 176.6497 98 M 4.0937 7.7561 120.4630 57.8636 32.3524 178.2538 99 L 3.7378 7.8149 119.1236 57.8009 41.7419 179.8665 100 V 3.5755 7.9258 118.4298 65.5695 31.3520 178.1059 101 G 3.6414 8.0787 105.7632 48.0302 0.0000 175.3121 102 M 4.2637 7.6242 119.1362 57.6903 32.0279 177.7521 103 M 4.2429 8.1340 117.8004 54.8144 32.8472 175.2448 104 N 4.1057 7.9401 116.3912 54.9246 38.0777 174.4788 105 D 4.7460 7.5970 116.3301 50.6008 42.3496 173.3506 106 P 4.2250 0.0000 0.0000 65.4521 31.3823 177.7623 107 A 4.0035 7.9394 118.6252 55.0966 18.3251 179.2477 108 L 3.9138 8.1849 118.9024 58.1689 42.1721 179.1195 109 K 3.9167 8.3900 119.8766 59.3712 31.8976 178.4086 110 E 4.0096 8.0334 119.3079 59.0551 29.6461 178.7994 111 I 3.8896 7.6116 119.9911 64.0269 37.1544 178.1377 112 A 4.0450 8.2246 121.7170 55.0006 18.1290 179.4996 113 A 4.0146 8.0045 119.4480 55.2371 18.3778 179.6508 114 D 4.2813 7.6890 115.9989 57.6420 40.9151 178.9004 115 I 3.8190 7.6265 119.8617 64.4870 37.0639 178.0379 116 E 3.8760 8.6294 120.3760 59.2556 29.4690 178.9653 117 K 3.8511 8.1548 118.4588 59.5433 32.1286 179.6096 118 R 3.9611 8.0369 118.2446 59.2719 30.0159 179.1173 119 L 3.7427 8.0605 118.7100 57.5819 41.4615 179.4203 120 A 4.0321 8.2229 120.7550 55.1036 18.3740 179.5497 121 A 3.9383 8.0728 119.2742 55.4280 18.2015 179.6472 122 C 4.5529 7.7365 115.6673 62.4481 28.4660 176.0352 123 L 4.1492 8.1201 120.5546 58.0354 41.3750 179.3131 124 D 4.4291 8.5163 119.0244 57.3900 40.5427 178.6674 125 R 4.1890 7.8138 116.1763 57.8891 30.1840 177.4474 126 C 4.5208 7.7580 115.4233 59.4202 28.9270 173.7572 127 R 4.0602 7.7833 125.4357 56.6144 29.7210 176.2997 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 0 A 8.26 4.27 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 1 M 8.39 3.83 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.25 0.00 2 F 8.90 4.44 0.00 3.32 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 3 H 6.49 5.22 0.00 2.86 1.92 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.75 4.80 0.00 2.98 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 5 T 8.04 5.06 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 1.20 0.00 0.00 6 V 8.42 4.34 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 0.35 0.00 0.00 0.91 0.00 0.00 7 D 8.52 4.98 0.00 2.48 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.20 4.73 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 0.67 0.00 0.00 0.85 0.00 0.00 9 S 8.39 4.24 0.00 3.90 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 10 T 7.62 4.13 4.21 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 1.19 0.00 0.00 11 G 8.17 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 12 M 8.51 3.96 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 13 N 8.09 4.27 0.00 2.74 2.86 0.00 0.00 6.99 7.66 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 14 E 8.09 4.03 0.00 1.95 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 2.38 2.33 0.00 15 T 8.10 3.83 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 1.16 0.00 0.00 16 I 7.89 3.69 1.99 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 1.50 0.79 0.94 0.00 0.00 17 E 8.15 4.10 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 18 R 8.19 3.97 0.00 1.96 1.97 0.00 3.11 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 19 L 8.27 3.97 0.00 1.82 1.82 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.43 4.03 0.00 2.21 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 2.35 2.64 0.00 21 E 8.16 4.01 0.00 2.20 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 2.52 0.00 22 S 8.25 4.13 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.14 0.00 1.92 1.99 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.19 4.05 0.00 1.99 2.03 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 25 Q 8.03 4.03 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 26 E 7.66 4.62 0.00 2.44 2.28 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 2.36 2.54 0.00 27 G 8.30 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 28 F 8.48 4.61 0.00 3.21 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 29 G 8.48 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 30 V 8.23 4.30 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 0.90 0.00 0.00 0.99 0.00 0.00 31 L 8.87 4.44 0.00 1.81 1.82 0.99 1.17 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 32 W 7.94 5.11 0.00 3.35 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 33 Q 8.34 4.80 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.49 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 34 F 8.67 4.38 0.00 1.51 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 0.00 0.00 0.00 0.00 35 S 8.43 4.41 0.00 3.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.43 2.71 1.91 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 0.79 0.00 0.00 0.45 0.00 0.00 37 T 7.85 4.10 4.22 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 1.18 0.00 0.00 38 E 7.85 3.89 0.00 1.92 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 0.00 2.31 2.46 0.00 39 K 7.62 4.84 0.00 2.04 2.12 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.80 1.56 7.81 40 L 8.06 4.25 0.00 1.89 1.77 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.52 4.13 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 42 E 8.41 4.15 0.00 2.24 2.52 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 2.60 2.39 0.00 43 K 7.88 4.56 0.00 1.95 1.90 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.70 1.63 7.81 44 G 7.71 3.92 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 0.00 45 L 7.66 4.32 0.00 1.82 1.65 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.33 4.59 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.68 0.00 2.94 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 48 S 7.97 4.39 0.00 3.85 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 49 T 6.41 3.73 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 1.30 0.00 0.00 50 P 0.00 4.37 0.00 2.04 1.94 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 51 M 9.10 5.26 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 52 V 9.49 4.49 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 0.91 0.00 0.00 0.85 0.00 0.00 53 I 8.73 4.95 2.01 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 1.28 0.63 1.07 0.00 0.00 54 L 9.14 5.20 0.00 1.55 1.57 0.93 0.76 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 55 E 9.39 4.90 0.00 2.14 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 2.65 2.95 0.00 56 V 8.19 5.43 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 1.13 0.00 0.00 1.00 0.00 0.00 *58 N 8.42 4.19 0.00 1.44 2.02 0.00 0.00 7.64 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 P 0.00 4.21 0.00 2.14 2.10 0.00 3.55 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 2.09 2.19 0.00 60 Q 8.02 3.96 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 61 E 8.24 3.95 0.00 2.08 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 2.33 2.34 0.00 62 A 8.15 3.99 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 63 A 8.23 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.83 0.00 2.14 2.15 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 65 V 7.88 3.97 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 0.75 0.00 0.00 1.07 0.00 0.00 66 L 8.08 4.10 0.00 1.69 1.75 0.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.25 4.57 0.00 2.78 2.87 0.00 0.00 6.97 7.22 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 68 E 7.28 4.62 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 69 N 8.01 4.53 0.00 2.80 2.65 0.00 0.00 6.76 6.82 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 70 L 8.72 4.01 0.00 1.79 1.65 0.94 0.65 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 71 L 8.19 3.84 0.00 1.66 1.19 0.73 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.02 4.07 2.22 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 1.04 0.00 0.00 1.08 0.00 0.00 73 G 8.29 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 0.00 0.00 0.00 74 Y 8.05 4.19 0.00 2.35 2.46 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 75 F 8.08 5.11 0.00 3.21 3.02 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 76 L 7.66 4.94 0.00 1.70 1.64 0.99 1.14 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 77 P 0.00 4.08 0.00 2.17 2.03 0.00 3.98 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 *79 K 8.47 4.46 0.00 1.92 1.86 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.78 7.81 80 L 8.99 5.14 0.00 1.60 1.51 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 V 9.01 4.91 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 1.12 0.00 0.00 0.98 0.00 0.00 82 V 9.07 5.01 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 0.95 0.00 0.00 0.93 0.00 0.00 83 Y 8.46 5.26 0.00 3.27 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 84 Q 8.89 4.83 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.62 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 85 E 8.82 4.57 0.00 2.15 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 2.22 2.30 0.00 86 N 9.60 3.92 0.00 2.89 2.86 0.00 0.00 7.13 7.65 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 87 G 8.40 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 88 T 7.48 4.54 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 1.25 0.00 0.00 89 T 8.03 4.75 4.24 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 1.09 0.00 0.00 90 K 8.54 4.94 0.00 0.79 1.32 0.00 1.24 0.00 0.00 1.49 0.00 0.00 2.70 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.06 7.81 91 I 8.51 4.96 1.80 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 1.11 0.73 0.91 0.00 0.00 92 G 9.42 4.75 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 93 M 8.76 5.37 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 94 P 0.00 4.84 0.00 2.27 2.37 0.00 4.04 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 95 K 9.51 4.17 0.00 1.89 2.00 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.53 7.81 96 P 0.00 4.26 0.00 2.29 2.13 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 97 T 8.30 3.94 4.22 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 1.23 0.00 0.00 98 M 7.76 4.09 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 99 L 7.81 3.74 0.00 1.43 0.50 0.95 0.56 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 0.00 100 V 7.93 3.58 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 1.11 0.00 0.00 0.93 0.00 0.00 101 G 8.08 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.62 4.26 0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 103 M 8.13 4.24 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.73 0.00 104 N 7.94 4.11 0.00 2.80 2.85 0.00 0.00 6.84 9.28 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 0.00 105 D 7.60 4.75 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.19 2.11 0.00 3.65 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 2.12 2.18 0.00 107 A 7.94 4.00 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 0.00 108 L 8.18 3.91 0.00 2.01 1.86 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.39 3.92 0.00 1.94 1.92 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.42 7.81 110 E 8.03 4.01 0.00 2.15 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 0.00 2.30 2.39 0.00 111 I 7.61 3.89 2.03 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 1.47 1.10 0.94 0.00 0.00 112 A 8.22 4.05 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 0.00 113 A 8.00 4.01 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 0.00 114 D 7.69 4.28 0.00 2.94 2.75 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 0.00 115 I 7.63 3.82 2.09 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 1.70 0.80 1.08 0.00 0.00 116 E 8.63 3.88 0.00 2.05 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 0.00 2.19 2.29 0.00 117 K 8.15 3.85 0.00 2.06 1.82 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.60 7.81 118 R 8.04 3.96 0.00 2.12 2.13 0.00 3.21 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.01 0.00 119 L 8.06 3.74 0.00 1.57 1.59 0.82 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.22 4.03 1.05 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 0.00 0.00 121 A 8.07 3.94 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 0.00 122 C 7.74 4.55 0.00 3.09 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 0.00 123 L 8.12 4.15 0.00 2.02 1.79 0.96 1.04 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 0.00 124 D 8.52 4.43 0.00 2.85 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 0.00 125 R 7.81 4.19 0.00 1.99 1.99 0.00 3.16 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 126 C 7.76 4.52 0.00 3.08 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 0.00 127 R 7.78 4.06 0.00 1.97 1.82 0.00 3.16 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.