NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4161 8.3349 115.4118 58.0832 64.4664 172.6893 3 S 4.3820 8.3041 119.6101 56.2082 65.1418 172.8886 *5 T 4.1787 9.3209 120.9024 62.2988 70.1077 175.0773 6 Q 3.9561 8.1655 119.7242 59.3481 28.6910 178.7371 7 N 4.3327 8.4645 117.5151 55.9736 38.6336 176.1379 8 L 4.1037 7.6496 120.2067 57.0188 42.7105 177.4802 9 R 3.9451 7.4804 117.7156 59.6602 30.1710 178.0740 10 E 4.0624 8.0821 117.6298 59.3466 29.3231 179.3515 11 V 3.3611 6.9642 117.0163 63.9405 32.8566 176.6392 *13 K 4.2024 7.9941 117.5059 56.4275 34.1392 177.4980 14 V 3.4016 7.6110 114.3060 63.7893 30.8744 175.6115 *16 F 4.5361 7.9333 116.2977 57.1447 38.7260 174.4395 *20 G 3.8016 8.2006 113.7007 45.0942 0.0000 171.7365 21 F 4.3667 8.5415 119.8344 60.8833 39.4314 176.7308 22 D 4.2961 8.1385 117.6465 56.0672 40.3784 178.0738 23 R 3.9614 7.6013 115.6443 58.0913 29.6318 177.9910 24 V 3.7209 7.5213 112.1375 61.6621 32.4333 176.0552 25 L 4.6565 7.3451 118.6736 53.9187 41.7153 176.4236 26 E 4.5412 7.8555 119.5331 58.0632 31.2238 178.5625 27 K 4.5411 8.0443 116.1322 56.5186 31.8429 176.5702 28 V 4.3005 7.9112 119.9468 60.1442 32.7084 174.9748 29 T 4.3871 8.2211 119.8252 60.8795 69.1500 173.0130 30 L 4.8715 8.3629 129.6026 54.3493 42.3749 176.3975 31 V 4.1075 8.5219 120.3009 62.6641 32.8677 176.5267 32 S 4.5019 7.4633 111.0232 57.7313 65.6008 175.1343 33 A 4.4833 8.7270 128.8899 50.2862 19.4864 175.3571 34 A 4.4299 8.5257 125.1620 51.1808 19.8304 175.9175 35 P 4.5246 0.0000 0.0000 64.4908 32.0910 176.7489 36 E 4.6550 8.1510 116.5587 55.6920 32.8785 175.3994 37 K 5.5969 7.9443 120.4204 54.0523 34.9497 174.7913 38 L 5.1984 8.1909 126.8092 53.4237 45.7005 174.7456 39 I 5.1066 9.2372 126.9851 59.8600 40.5127 174.4105 40 C 5.2836 8.8736 122.0241 58.5200 33.1345 173.3040 41 E 5.6898 8.5088 119.9926 53.6303 33.5688 174.0341 *43 K 4.5958 8.5843 121.5985 56.5595 33.1839 176.9250 44 V 3.8163 8.6487 128.8329 61.4316 32.2774 174.8771 45 E 4.9097 9.1911 130.0732 55.4224 27.6089 176.9975 46 E 4.9490 8.8630 125.9291 59.0114 35.5503 177.0638 47 Q 4.0200 7.9714 116.6498 58.7596 29.0965 177.0566 48 H 4.3772 7.9792 116.3234 58.6184 29.3231 175.7445 49 T 4.3629 7.4365 108.9231 60.8195 69.1650 174.7062 50 N 4.7579 9.0213 122.0674 53.4494 39.6200 175.4707 51 K 4.0916 8.6403 116.6312 58.7691 32.1412 177.9487 52 L 4.5598 8.1923 116.2616 54.1857 41.4206 177.3581 53 G 3.9243 8.1403 108.4077 45.2758 0.0000 173.9686 54 T 4.7119 7.3203 110.0614 59.9350 71.5064 173.6753 55 L 4.3253 8.3464 124.4488 55.4211 42.7405 176.1534 56 H 4.1297 8.8877 126.7737 55.8320 30.6337 176.1514 57 G 3.9186 8.7584 112.3111 48.2718 0.0000 175.7724 58 G 3.8106 8.2247 106.5286 46.3256 0.0000 175.1204 59 L 4.3837 7.8705 121.8817 57.6761 42.4470 178.4168 60 T 3.8748 8.6762 115.9317 66.5369 68.3569 176.4240 61 A 4.0576 8.6187 123.1792 55.5190 18.4963 179.8197 62 T 3.9094 8.4534 114.5689 66.5818 68.4306 176.5420 63 L 4.0315 8.6211 122.8394 57.6802 42.0384 179.0107 64 V 3.5414 7.5582 118.6761 65.6493 31.5075 177.1329 65 D 4.0456 8.1096 118.0676 57.5201 40.8229 179.0167 66 S 4.2267 7.5974 112.1117 61.3621 63.5639 176.1125 67 I 4.0019 7.8018 122.8492 63.8058 37.2633 178.0936 68 S 4.3333 8.1083 115.2677 61.5129 62.5409 177.1948 69 T 4.1392 7.8885 119.4958 63.1344 67.4713 175.5701 *71 A 4.4312 8.1779 124.8754 52.4318 20.3001 180.2579 72 L 3.9617 7.4398 115.6463 55.3020 41.8915 179.0764 *74 C 4.5079 8.1529 115.6263 60.0259 29.9594 174.8464 75 T 4.1982 8.2800 112.1385 61.7092 67.8769 175.1890 76 E 3.5122 7.5851 120.8308 58.1401 30.6188 175.6069 *80 P 4.1987 0.0000 0.0000 58.6254 33.8481 180.3805 81 G 3.8072 8.0189 110.5002 44.6501 0.0000 172.0039 82 V 4.6422 8.2397 110.6364 59.2888 36.0462 175.7009 83 S 4.3968 8.6441 118.0177 59.1189 63.1250 173.4909 84 V 4.1168 8.8488 122.4227 64.3955 32.7912 175.3775 85 D 4.6390 7.2124 117.8692 53.2144 45.3577 173.1417 *87 N 4.8265 8.6568 114.9730 53.9065 39.0051 173.5277 88 I 4.8984 8.0544 119.5580 60.2282 41.6316 174.1012 89 T 4.5572 8.4208 119.9660 60.4532 70.6069 172.2093 90 Y 4.8791 8.4683 123.8972 56.0587 41.6882 174.6751 *92 S 4.3702 8.4086 114.4516 57.6964 63.3994 171.1407 93 P 4.6533 0.0000 0.0000 62.2585 32.7858 175.3058 94 A 4.5807 8.4890 124.8640 50.3860 20.6014 176.6981 95 K 4.6256 8.4450 121.3791 56.1993 34.2149 176.9487 96 I 4.1021 7.4862 119.8485 62.9339 37.2833 177.2077 97 G 4.0196 8.9915 114.1000 45.1004 0.0000 173.6158 98 E 4.2184 8.0068 120.0061 56.1756 30.9744 175.3617 99 E 4.9011 8.8093 124.7540 54.4417 32.0633 174.0974 100 I 4.9970 8.3143 120.8596 59.2264 40.1913 174.7950 101 V 4.7141 8.5758 127.0221 60.5426 33.6061 174.9131 102 I 4.9575 9.0158 117.6368 59.3744 40.1783 174.0377 103 T 5.1306 9.0451 121.6445 59.9401 70.3734 172.2204 104 A 5.2427 8.7054 129.5045 50.4612 22.3129 174.9235 105 H 5.0991 9.2760 118.5489 53.9690 32.3041 173.3680 106 I 4.3679 8.5268 125.8149 60.9011 36.0217 176.1362 107 L 4.2248 8.6261 128.2840 57.2998 42.4781 178.0989 108 K 4.7430 8.3449 119.8995 54.1087 36.1069 175.2346 109 Q 4.2005 9.1223 121.0995 55.7414 27.6256 180.9852 110 G 4.4069 9.2143 99.4616 47.0153 0.0000 173.4071 111 K 4.0967 8.6260 122.5285 59.1573 32.4395 177.8316 112 T 4.5728 7.8664 109.7751 61.4906 69.4179 172.9117 113 L 5.3157 7.8330 119.0871 53.6274 46.5205 175.0970 114 A 5.3392 8.6469 122.2784 50.4037 22.7647 175.1729 115 F 5.2572 9.3194 118.0990 55.9480 43.6940 173.8687 116 A 5.0513 9.0904 122.0583 50.8257 23.0726 175.0458 117 S 5.2363 9.1725 114.9789 56.7455 65.6380 173.2059 118 V 5.0983 9.0405 124.2223 61.5006 35.3383 173.3379 119 D 5.3368 9.1791 126.5070 52.4834 44.6136 174.6067 120 L 5.1615 8.5329 122.8948 53.3868 43.9209 175.3765 121 T 5.0812 8.8459 115.0129 59.3295 71.9520 173.3362 122 N 4.4447 8.8792 122.9712 54.4375 39.4202 174.6779 123 K 3.7780 9.1311 129.1569 60.4454 31.7834 178.1646 124 T 4.1655 8.1203 114.3051 66.6922 69.0397 176.4208 125 T 3.9127 8.6405 117.4307 66.3922 68.4956 175.0074 126 G 4.0949 8.2969 107.7864 45.1272 0.0000 174.1648 127 K 4.0286 7.8954 118.2974 56.8551 33.1218 176.5936 128 L 4.3919 8.4875 123.2299 55.2433 41.9783 176.4109 129 I 4.6281 8.3530 121.4483 62.9011 39.4070 176.4051 130 A 5.0500 8.3386 117.2975 52.2311 24.1131 175.1700 131 Q 3.1299 8.3928 115.1518 56.2809 27.8699 172.8827 132 G 4.5076 8.5815 107.7861 44.8227 0.0000 171.1453 133 R 5.2317 9.1135 121.1583 54.6758 33.5345 174.0041 134 H 5.0717 9.2587 125.1217 54.9332 33.5845 171.7026 135 T 4.9269 9.0801 122.8298 61.6703 71.0064 173.4528 136 K 4.9184 8.3147 124.8511 54.6590 36.4572 174.5959 137 H 4.9225 9.0100 123.7995 54.7401 31.0485 175.6674 138 L 4.2886 8.4909 130.0673 53.4862 39.2557 177.3653 139 G 3.6689 7.5229 111.0901 45.7207 0.0000 172.2140 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 S 8.33 4.42 0.00 3.99 3.94 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 3 S 8.30 4.38 0.00 3.94 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 *5 T 9.32 4.18 4.31 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 1.20 0.00 0.00 6 Q 8.17 3.96 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 7 N 8.46 4.33 0.00 3.08 2.79 0.00 0.00 6.90 7.51 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 8 L 7.65 4.10 0.00 1.63 1.61 0.89 0.82 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 9 R 7.48 3.95 0.00 1.98 2.17 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 10 E 8.08 4.06 0.00 2.01 1.93 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 2.29 2.43 0.00 11 V 6.96 3.36 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 0.77 0.00 0.00 0.94 0.00 0.00 *13 K 7.99 4.20 0.00 1.87 2.00 0.00 1.51 0.00 0.00 1.61 0.00 0.00 3.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.64 7.81 14 V 7.61 3.40 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 0.78 0.00 0.00 0.95 0.00 0.00 *16 F 7.93 4.54 0.00 3.14 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 *20 G 8.20 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 0.00 0.00 0.00 21 F 8.54 4.37 0.00 3.01 2.99 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 0.00 0.00 0.00 22 D 8.14 4.30 0.00 2.69 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 0.00 0.00 0.00 0.00 23 R 7.60 3.96 0.00 1.94 2.17 0.00 3.17 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 24 V 7.52 3.72 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 0.15 0.00 0.00 0.24 0.00 0.00 25 L 7.35 4.66 0.00 0.83 1.31 0.38 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.86 4.54 0.00 2.03 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 2.38 2.46 0.00 27 K 8.04 4.54 0.00 1.81 1.88 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.56 1.56 7.81 28 V 7.91 4.30 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 1.09 0.00 0.00 1.00 0.00 0.00 29 T 8.22 4.39 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 1.29 0.00 0.00 30 L 8.36 4.87 0.00 1.65 1.53 1.00 1.01 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 31 V 8.52 4.11 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 0.86 0.00 0.00 0.97 0.00 0.00 32 S 7.46 4.50 0.00 3.83 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 33 A 8.73 4.48 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 34 A 8.53 4.43 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 35 P 0.00 4.52 0.00 2.20 2.19 0.00 3.71 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 1.98 1.98 0.00 36 E 8.15 4.66 0.00 1.96 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 2.30 2.35 0.00 37 K 7.94 5.60 0.00 1.83 1.62 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.09 7.81 38 L 8.19 5.20 0.00 1.69 1.41 0.94 1.01 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 39 I 9.24 5.11 1.87 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 1.21 0.95 0.91 0.00 0.00 40 C 8.87 5.28 0.00 2.99 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 41 E 8.51 5.69 0.00 1.90 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 2.21 2.06 0.00 *43 K 8.58 4.60 0.00 1.97 1.81 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.52 7.81 44 V 8.65 3.82 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 0.85 0.00 0.00 0.98 0.00 0.00 45 E 9.19 4.91 0.00 1.78 1.12 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 2.28 2.08 0.00 46 E 8.86 4.95 0.00 2.05 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 0.00 2.22 2.16 0.00 47 Q 7.97 4.02 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.13 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 48 H 7.98 4.38 0.00 3.24 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.44 4.36 4.37 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 1.34 0.00 0.00 50 N 9.02 4.76 0.00 3.06 2.98 0.00 0.00 7.37 6.49 0.00 0.00 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 K 8.64 4.09 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.40 7.81 52 L 8.19 4.56 0.00 1.56 1.63 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.14 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 54 T 7.32 4.71 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 1.21 0.00 0.00 55 L 8.35 4.33 0.00 1.89 1.66 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.89 4.13 0.00 3.46 3.18 0.00 5.68 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 57 G 8.76 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 58 G 8.22 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 59 L 7.87 4.38 0.00 1.81 1.88 0.85 0.80 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 60 T 8.68 3.87 4.70 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 1.31 0.00 0.00 61 A 8.62 4.06 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 62 T 8.45 3.91 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 1.35 0.00 0.00 63 L 8.62 4.03 0.00 1.94 1.79 0.92 1.04 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 64 V 7.56 3.54 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 0.92 0.00 0.00 0.99 0.00 0.00 65 D 8.11 4.05 0.00 2.71 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 66 S 7.60 4.23 0.00 4.14 4.13 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 0.00 0.00 0.00 0.00 67 I 7.80 4.00 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.80 0.94 0.00 0.00 68 S 8.11 4.33 0.00 4.10 4.20 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 69 T 7.89 4.14 4.48 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 1.26 0.00 0.00 *71 A 8.18 4.43 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 72 L 7.44 3.96 0.00 1.90 1.75 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *74 C 8.15 4.51 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 75 T 8.28 4.20 4.40 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 1.22 0.00 0.00 76 E 7.59 3.51 0.00 2.16 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 2.26 2.33 0.00 *80 P 0.00 4.20 0.00 2.10 2.08 0.00 3.71 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 1.93 2.09 0.00 81 G 8.02 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 82 V 8.24 4.64 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 0.76 0.00 0.00 0.95 0.00 0.00 83 S 8.64 4.40 0.00 3.76 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 84 V 8.85 4.12 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 0.70 0.00 0.00 0.83 0.00 0.00 85 D 7.21 4.64 0.00 2.57 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 *87 N 8.66 4.83 0.00 2.86 3.00 0.00 0.00 5.75 8.08 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 88 I 8.05 4.90 1.70 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 1.16 0.32 0.35 0.00 0.00 89 T 8.42 4.56 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 1.24 0.00 0.00 90 Y 8.47 4.88 0.00 2.88 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 *92 S 8.41 4.37 0.00 3.90 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 93 P 0.00 4.65 0.00 2.12 2.03 0.00 3.82 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 1.97 1.98 0.00 94 A 8.49 4.58 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 95 K 8.44 4.63 0.00 1.82 1.76 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.48 7.81 96 I 7.49 4.10 1.88 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 1.39 0.47 0.99 0.00 0.00 97 G 8.99 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 0.00 0.00 0.00 98 E 8.01 4.22 0.00 2.30 1.89 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 2.34 2.31 0.00 99 E 8.81 4.90 0.00 2.04 1.80 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 2.29 2.28 0.00 100 I 8.31 5.00 1.88 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 1.40 0.52 0.93 0.00 0.00 101 V 8.58 4.71 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 0.91 0.00 0.00 0.99 0.00 0.00 102 I 9.02 4.96 1.88 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 1.13 0.65 0.92 0.00 0.00 103 T 9.05 5.13 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 1.26 0.00 0.00 104 A 8.71 5.24 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 0.00 105 H 9.28 5.10 0.00 3.08 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.53 4.37 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 1.26 0.51 0.96 0.00 0.00 107 L 8.63 4.22 0.00 1.80 1.73 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.34 4.74 0.00 1.73 2.09 0.00 1.95 0.00 0.00 1.95 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.50 7.81 109 Q 9.12 4.20 0.00 2.23 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.13 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 110 G 9.21 4.41 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 0.00 111 K 8.63 4.10 0.00 1.75 1.88 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 112 T 7.87 4.57 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 1.25 0.00 0.00 113 L 7.83 5.32 0.00 1.46 1.05 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.65 5.34 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 0.00 115 F 9.32 5.26 0.00 2.86 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 0.00 116 A 9.09 5.05 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 0.00 117 S 9.17 5.24 0.00 3.90 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 0.00 118 V 9.04 5.10 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 0.95 0.00 0.00 0.95 0.00 0.00 119 D 9.18 5.34 0.00 2.68 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 0.00 120 L 8.53 5.16 0.00 1.63 1.59 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.85 5.08 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 1.30 0.00 0.00 122 N 8.88 4.44 0.00 2.80 2.88 0.00 0.00 6.83 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 0.00 123 K 9.13 3.78 0.00 1.85 1.85 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 124 T 8.12 4.17 4.36 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 1.22 0.00 0.00 125 T 8.64 3.91 4.32 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 1.22 0.00 0.00 126 G 8.30 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 0.00 0.00 0.00 127 K 7.90 4.03 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.50 7.81 128 L 8.49 4.39 0.00 1.54 1.60 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.35 4.63 2.00 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 1.19 0.78 1.08 0.00 0.00 130 A 8.34 5.05 1.09 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 0.00 131 Q 8.39 3.13 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.25 0.00 132 G 8.58 4.51 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 0.00 0.00 0.00 133 R 9.11 5.23 0.00 1.76 1.90 0.00 3.25 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 134 H 9.26 5.07 0.00 3.23 3.07 0.00 5.78 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 9.08 4.93 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 0.89 0.00 0.00 136 K 8.31 4.92 0.00 1.62 1.67 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.27 7.81 137 H 9.01 4.92 0.00 3.13 3.14 0.00 5.77 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 0.00 138 L 8.49 4.29 0.00 1.46 1.57 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.52 3.67 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.