NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8682 8.1676 115.9094 56.6942 40.4988 176.5662 11 H 3.4704 5.2900 117.3422 56.7682 28.5786 174.0087 12 E 4.2015 8.2133 121.2876 58.9648 30.4622 179.0692 13 M 4.4873 7.6092 114.3125 56.1635 32.0723 176.9570 14 R 4.3896 7.1359 116.6567 56.4612 32.6537 176.5107 15 E 3.8489 8.1405 117.2667 55.6490 29.5837 175.0083 16 P 4.4926 0.0000 0.0000 62.5069 32.2904 174.7110 17 R 4.1107 7.2131 115.4888 56.5459 31.6360 172.8370 18 I 4.6817 8.3942 120.1844 60.1096 38.1190 175.5150 19 E 4.4653 9.0963 128.2195 57.8336 30.8275 176.3153 20 K 5.3327 7.4960 115.7842 56.5178 36.1458 175.0398 21 V 4.8256 8.2601 122.1253 60.2946 34.3868 173.9580 22 V 5.1707 8.0962 128.5302 61.0533 33.3001 174.6183 23 V 4.7811 8.1105 121.0686 59.8890 34.0183 174.2430 24 H 5.2502 8.7976 124.4182 54.3436 33.6540 171.8982 25 M 4.6118 8.4009 124.4834 53.3574 34.2985 175.3571 26 G 3.5623 8.4881 112.6256 47.2014 0.0000 171.1828 27 I 3.9035 10.1253 128.6152 58.6288 38.0682 174.9427 28 G 3.1484 5.5651 116.7850 45.0001 0.0000 173.2352 29 H 5.0902 7.5673 121.1870 55.6546 31.2745 174.1442 *35 A 4.3716 7.4244 125.5680 52.0259 18.9634 179.9847 36 N 4.3375 9.5115 121.4108 56.0634 35.9736 175.9746 37 A 4.1422 7.8375 121.5218 54.0933 19.2375 179.0052 38 E 3.8077 8.6023 116.4867 60.5456 29.8250 179.5297 39 D 4.2748 7.6598 117.2991 57.1731 40.9718 179.0317 40 I 4.0446 7.3701 113.9686 63.7665 37.2994 178.1873 41 L 4.1272 8.0770 120.6815 57.2901 41.3634 179.6780 42 G 3.5770 8.0291 105.2701 47.4992 0.0000 175.5890 43 E 4.0634 7.9359 120.3164 59.4656 29.4857 179.1450 44 I 3.7968 8.0256 117.8631 63.8079 38.0745 177.6055 45 T 4.1515 7.9375 110.3640 65.0248 69.3454 175.5488 46 G 4.0368 6.9748 106.3711 44.4252 0.0000 173.3311 47 Q 4.5462 7.7453 116.5788 54.0233 31.7385 174.6491 48 M 4.0059 8.5205 119.1253 55.6547 32.5080 174.0180 49 P 5.0246 0.0000 0.0000 61.5944 34.4937 174.4809 50 V 4.5301 8.2704 111.4587 59.6611 35.8205 175.9363 51 R 4.6230 8.7322 123.5897 56.7521 31.2054 175.9341 52 T 4.5875 9.0563 117.1558 62.0733 71.8856 173.6195 53 K 4.8968 8.3478 125.5006 56.0008 35.3364 173.8467 54 A 4.4373 7.2628 120.8091 52.7172 22.8782 176.1085 55 K 4.5952 8.2120 116.7147 55.8696 36.0714 174.7486 56 R 4.1987 8.9480 125.2086 56.1942 29.8556 176.7167 57 T 4.2632 8.2733 117.9510 63.4294 69.4554 174.1870 58 V 4.3835 8.4448 124.0293 60.7294 33.8754 176.6377 59 G 4.0885 9.1160 116.8843 48.7067 0.0000 173.5503 60 E 4.2548 8.0846 118.6378 57.7497 28.6565 176.3130 61 F 4.1361 7.6860 114.8567 60.6874 39.1082 174.4548 62 D 4.9855 8.4417 114.9860 53.3663 41.5353 176.7795 63 I 3.6658 7.8535 115.6559 63.9051 38.5206 176.8316 64 R 3.7773 7.9547 122.1501 55.8315 28.5356 174.9194 65 E 3.8242 8.3021 128.4532 58.5185 30.2275 176.3580 66 G 4.0344 7.7058 120.2254 44.9851 0.0000 171.9228 67 D 4.5343 8.1877 123.3583 50.7053 41.8541 173.3894 68 P 4.4963 0.0000 0.0000 64.0320 31.2940 175.9893 69 I 4.5159 9.0482 122.6013 61.7507 41.0962 174.9373 70 G 4.2981 7.6092 106.0875 46.2390 0.0000 171.5074 71 A 5.7662 7.8865 121.2040 51.1004 23.6417 175.0602 72 K 5.0218 8.1963 116.3097 58.0451 35.9809 174.3932 73 V 4.7546 7.8903 118.8747 61.8001 35.0314 172.4848 74 T 4.8666 8.4710 117.9469 60.1296 70.4209 173.4721 75 L 4.6985 8.5650 126.8925 53.0530 43.9064 175.8695 76 R 4.8061 8.0454 121.3219 54.5957 33.7190 175.6680 77 D 4.2836 8.9727 121.5553 55.4655 38.8242 175.4179 78 E 3.9331 8.8461 123.8588 61.2336 28.9880 178.8561 79 M 3.8270 7.7811 118.2274 58.4438 32.5683 178.5790 80 A 4.2553 7.8795 120.6558 55.0925 19.0734 178.6768 81 E 3.8668 8.4131 116.0637 59.9489 29.4520 179.5207 82 E 3.9801 8.2094 118.3457 59.9728 29.9113 179.4337 83 F 4.3442 8.2640 120.2776 61.0869 39.4174 177.4305 84 L 3.8833 8.5699 119.1819 57.7021 41.1978 179.0536 85 Q 3.8992 8.0745 116.9851 59.0806 28.6173 178.6850 86 T 4.1685 7.4800 108.1940 63.5103 69.8455 176.5133 87 A 3.8621 7.6323 123.8277 54.8079 18.3310 179.1811 88 L 3.8227 8.1564 117.5385 57.8047 41.5956 178.0276 89 P 4.2202 0.0000 0.0000 65.7011 31.3968 178.1138 90 L 4.1831 7.5502 114.0262 55.1358 41.7904 176.7912 91 A 4.6469 7.4240 121.5575 50.2088 21.8976 176.0851 92 E 4.3637 8.4342 120.7250 54.4434 29.2594 176.1351 93 L 3.9570 8.0714 123.9063 54.3935 42.3275 176.5248 94 A 5.2284 7.9260 123.2253 49.3484 22.6915 176.6105 95 T 4.1612 8.4833 115.2721 67.1947 68.6221 177.7943 96 S 4.4105 8.1698 110.1713 59.6259 62.8443 174.1914 97 Q 4.6252 8.7197 119.2510 55.8961 28.8014 174.8831 98 F 5.1455 8.0733 115.8982 55.6619 42.1362 174.2305 99 D 4.9083 9.3894 123.4340 52.8333 42.2337 177.4147 100 D 4.6052 8.8313 124.9850 57.2405 40.9651 177.5123 101 T 4.4138 7.7839 113.3755 62.9589 67.5255 174.4292 102 G 3.9164 8.8627 109.0556 46.9397 0.0000 173.3061 103 N 5.6519 8.2567 114.2386 50.0404 43.7588 174.7588 104 F 5.2187 8.0520 115.0875 55.2796 41.5679 173.1162 105 S 5.2790 8.2724 113.8934 56.5917 65.3713 173.2788 106 F 4.8588 8.0728 120.6186 55.7086 41.0347 174.1260 107 G 3.7903 8.4018 110.4225 45.5884 0.0000 171.1713 *128 L 3.9909 8.4463 123.2532 55.1856 42.9015 177.4387 129 D 4.7339 8.6347 126.6385 53.4021 43.5057 176.3771 130 V 4.4259 7.5146 120.2144 61.9729 34.6077 173.9868 131 T 4.9333 8.6364 124.3285 61.6317 72.3093 173.4044 132 V 4.4425 7.6956 122.7388 61.1404 34.9888 173.6929 133 N 4.7955 9.1426 127.6300 52.4126 39.8527 173.4005 134 L 5.2508 7.3830 124.9757 53.0818 44.1710 176.6149 135 V 4.0973 7.5537 118.6884 60.8275 34.2041 172.4496 136 R 3.5538 9.1127 121.5037 57.4481 30.2939 175.5073 137 P 3.1958 0.0000 0.0000 64.1538 33.0601 177.6043 138 G 4.0262 8.2789 112.1399 46.5028 0.0000 172.2881 139 Y 4.4248 7.7264 121.6544 59.4609 40.3943 177.0478 140 R 3.8826 8.2266 119.4345 59.5561 29.8146 177.9745 141 V 3.4770 7.9261 117.1755 65.7019 30.9946 177.0880 142 A 4.4625 7.6897 120.2897 52.3522 19.5547 178.5178 143 K 4.1611 7.4827 114.8863 57.1377 32.8855 177.0250 144 R 4.2198 7.9772 116.1197 55.9912 30.4866 175.5168 145 D 4.5737 8.2437 116.0300 56.1896 41.8108 177.4378 146 K 3.7998 8.0082 117.3752 58.0678 32.7012 177.3785 147 A 3.7248 8.6305 128.3919 52.8211 16.0400 175.6793 148 S 4.6068 7.6041 115.6692 59.3643 64.6242 174.2293 149 R 4.6003 8.5400 118.4458 55.2529 33.5524 173.8327 150 S 4.4829 8.5102 118.9871 57.6487 63.6686 173.5756 151 I 4.0236 8.1757 126.4368 60.0066 37.8313 174.4005 152 P 4.3320 0.0000 0.0000 62.8424 31.7264 177.2762 153 T 3.9469 8.7531 112.5517 65.0056 68.6049 175.6016 154 K 4.0938 8.2082 121.0679 59.8222 32.1780 178.2074 155 H 4.4554 8.0152 115.2361 57.2931 29.9065 175.4750 156 R 4.1920 7.2448 117.1113 56.2599 30.5446 176.3477 157 L 4.1430 8.3156 123.5310 55.1006 43.0280 176.2371 158 N 5.1041 8.2553 120.2480 50.5389 42.5643 174.0985 159 P 4.2198 0.0000 0.0000 66.3205 31.4701 178.3298 160 A 3.8479 7.9896 118.7010 55.2205 18.1620 178.8996 161 D 4.3596 8.1717 115.8603 57.1894 40.9572 179.4465 162 A 4.0902 8.0249 121.4719 55.0396 18.5184 179.3858 163 V 3.2368 7.5825 116.5824 66.9646 31.3975 177.1961 164 A 3.8883 8.2305 119.1835 54.8953 17.7093 179.0441 165 F 4.1047 8.1400 119.9243 61.3993 39.9545 177.9928 166 I 3.5510 7.8725 117.8466 64.2943 37.2113 177.3769 167 E 4.4604 8.8094 121.6196 58.7267 29.3183 180.0130 168 S 4.6018 8.5090 112.6540 57.4412 63.8490 174.8393 169 T 4.6960 8.5560 112.5846 62.6833 70.8289 173.6678 170 Y 3.2663 7.7134 117.3138 56.7544 34.2492 168.2272 171 D 4.5282 6.5825 121.3512 53.5519 41.0393 176.2038 172 V 4.6076 7.6889 118.9189 60.8927 35.1589 176.9592 173 E 4.5777 8.1772 126.9676 54.3027 28.1124 176.7613 174 V 3.5991 8.7739 119.8485 63.2352 32.6349 172.0478 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 10 F 8.17 4.87 0.00 3.36 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 11 H 5.29 3.47 0.00 3.02 2.37 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.21 4.20 0.00 1.64 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 2.18 0.00 13 M 7.61 4.49 0.00 2.05 2.11 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 2.65 2.65 0.00 14 R 7.14 4.39 0.00 1.90 1.91 0.00 3.31 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 15 E 8.14 3.85 0.00 2.15 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 2.43 2.20 0.00 16 P 0.00 4.49 0.00 0.72 1.60 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 17 R 7.21 4.11 0.00 1.84 1.90 0.00 2.93 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.36 0.00 18 I 8.39 4.68 1.94 0.00 0.00 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 1.41 0.83 1.00 0.00 0.00 19 E 9.10 4.47 0.00 1.81 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 0.00 2.27 2.26 0.00 20 K 7.50 5.33 0.00 1.80 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.21 7.81 21 V 8.26 4.83 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 1.47 0.00 0.00 0.98 0.00 0.00 22 V 8.10 5.17 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 1.00 0.00 0.00 0.86 0.00 0.00 23 V 8.11 4.78 1.90 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 0.14 0.00 0.00 0.78 0.00 0.00 24 H 8.80 5.25 0.00 3.19 2.98 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.40 4.61 0.00 1.89 1.85 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 2.49 2.43 0.00 26 G 8.49 3.56 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 0.00 0.00 0.00 27 I 10.13 3.90 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.78 0.80 0.00 0.00 28 G 5.57 3.15 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 29 H 7.57 5.09 0.00 3.17 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.42 4.37 1.11 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 0.00 0.00 36 N 9.51 4.34 0.00 2.83 2.97 0.00 0.00 5.89 7.26 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 37 A 7.84 4.14 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 38 E 8.60 3.81 0.00 2.03 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 2.31 2.55 0.00 39 D 7.66 4.27 0.00 2.68 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 40 I 7.37 4.04 1.88 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 1.73 2.03 0.91 0.00 0.00 41 L 8.08 4.13 0.00 1.82 1.67 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.03 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 0.00 0.00 0.00 43 E 7.94 4.06 0.00 2.27 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 2.33 2.48 0.00 44 I 8.03 3.80 1.99 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.93 0.99 0.00 0.00 45 T 7.94 4.15 4.07 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 0.85 0.00 0.00 46 G 6.97 4.04 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 0.00 47 Q 7.75 4.55 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 48 M 8.52 4.01 0.00 2.00 2.05 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 2.60 2.54 0.00 49 P 0.00 5.02 0.00 2.01 2.02 0.00 3.70 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 1.99 1.94 0.00 50 V 8.27 4.53 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 0.70 0.00 0.00 1.00 0.00 0.00 51 R 8.73 4.62 0.00 1.67 1.85 0.00 3.28 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 52 T 9.06 4.59 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 1.21 0.00 0.00 53 K 8.35 4.90 0.00 1.60 1.68 0.00 1.82 0.00 0.00 0.85 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.23 7.81 54 A 7.26 4.44 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 55 K 8.21 4.60 0.00 1.59 1.66 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.43 7.81 56 R 8.95 4.20 0.00 1.99 2.01 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 57 T 8.27 4.26 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 1.25 0.00 0.00 58 V 8.44 4.38 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 0.97 0.00 0.00 0.98 0.00 0.00 59 G 9.12 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 60 E 8.08 4.25 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 2.31 2.33 0.00 61 F 7.69 4.14 0.00 2.99 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 62 D 8.44 4.99 0.00 2.87 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 0.00 0.00 0.00 63 I 7.85 3.67 1.94 0.00 0.00 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 1.51 0.79 1.03 0.00 0.00 64 R 7.95 3.78 0.00 1.77 2.06 0.00 3.22 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 65 E 8.30 3.82 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 2.37 2.47 0.00 66 G 7.71 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 0.00 0.00 0.00 67 D 8.19 4.53 0.00 2.74 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 68 P 0.00 4.50 0.00 1.92 2.05 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 69 I 9.05 4.52 1.92 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 0.96 0.87 0.00 0.00 70 G 7.61 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 0.00 0.00 0.00 0.00 71 A 7.89 5.77 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 72 K 8.20 5.02 0.00 1.83 1.90 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.19 7.81 73 V 7.89 4.75 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 0.83 0.00 0.00 0.93 0.00 0.00 74 T 8.47 4.87 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 1.17 0.00 0.00 75 L 8.56 4.70 0.00 1.66 1.69 0.60 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.05 4.81 0.00 1.63 1.78 0.00 3.33 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 77 D 8.97 4.28 0.00 2.88 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 0.00 0.00 0.00 78 E 8.85 3.93 0.00 2.02 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 0.00 2.42 2.43 0.00 79 M 7.78 3.83 0.00 1.98 2.27 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 2.61 2.61 0.00 80 A 7.88 4.26 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 81 E 8.41 3.87 0.00 2.17 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 2.38 2.43 0.00 82 E 8.21 3.98 0.00 2.00 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 2.37 2.38 0.00 83 F 8.26 4.34 0.00 3.19 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 84 L 8.57 3.88 0.00 1.89 1.74 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.07 3.90 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.53 0.00 86 T 7.48 4.17 4.11 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 1.16 0.00 0.00 87 A 7.63 3.86 0.76 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 0.00 0.00 88 L 8.16 3.82 0.00 1.62 1.69 0.93 1.10 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 89 P 0.00 4.22 0.00 1.98 2.11 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 90 L 7.55 4.18 0.00 1.75 1.76 0.92 1.08 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 91 A 7.42 4.65 0.96 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 0.00 0.00 92 E 8.43 4.36 0.00 1.94 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 0.00 2.21 2.29 0.00 93 L 8.07 3.96 0.00 1.54 1.48 0.68 0.22 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 94 A 7.93 5.23 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 95 T 8.48 4.16 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 1.24 0.00 0.00 96 S 8.17 4.41 0.00 4.02 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 97 Q 8.72 4.63 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 98 F 8.07 5.15 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 99 D 9.39 4.91 0.00 2.80 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 0.00 100 D 8.83 4.61 0.00 2.73 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 0.00 101 T 7.78 4.41 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 102 G 8.86 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 0.00 103 N 8.26 5.65 0.00 2.87 2.70 0.00 0.00 7.10 8.13 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 0.00 104 F 8.05 5.22 0.00 2.73 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 0.00 0.00 0.00 0.00 105 S 8.27 5.28 0.00 3.87 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 0.00 106 F 8.07 4.86 0.00 3.17 3.27 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 0.00 107 G 8.40 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 *128 L 8.45 3.99 0.00 1.68 1.66 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.63 4.73 0.00 2.78 2.45 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 0.00 130 V 7.51 4.43 0.95 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 1.05 0.00 0.00 0.91 0.00 0.00 131 T 8.64 4.93 4.10 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 1.12 0.00 0.00 132 V 7.70 4.44 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 0.00 0.00 0.94 0.00 0.00 0.70 0.00 0.00 133 N 9.14 4.80 0.00 2.71 2.74 0.00 0.00 6.64 6.38 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 0.00 134 L 7.38 5.25 0.00 1.70 1.49 1.33 1.03 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 0.00 135 V 7.55 4.10 1.57 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 -0.23 0.00 0.00 0.72 0.00 0.00 136 R 9.11 3.55 0.00 1.58 1.76 0.00 3.31 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 137 P 0.00 3.20 0.00 2.20 1.86 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 2.03 2.11 0.00 138 G 8.28 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 0.00 0.00 0.00 139 Y 7.73 4.42 0.00 3.16 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 0.00 140 R 8.23 3.88 0.00 1.94 1.95 0.00 3.26 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 141 V 7.93 3.48 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 0.95 0.00 0.00 0.94 0.00 0.00 142 A 7.69 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.48 4.16 0.00 1.67 1.83 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.04 1.48 7.81 144 R 7.98 4.22 0.00 1.87 2.01 0.00 3.03 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 145 D 8.24 4.57 0.00 2.67 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 0.00 146 K 8.01 3.80 0.00 1.73 1.75 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.43 7.81 147 A 8.63 3.72 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 0.00 148 S 7.60 4.61 0.00 3.92 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 0.00 149 R 8.54 4.60 0.00 1.89 1.71 0.00 3.12 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 150 S 8.51 4.48 0.00 3.90 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 0.00 151 I 8.18 4.02 1.96 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 1.40 1.09 1.03 0.00 0.00 152 P 0.00 4.33 0.00 2.20 2.00 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 153 T 8.75 3.95 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 1.23 0.00 0.00 154 K 8.21 4.09 0.00 1.93 1.93 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.51 7.81 155 H 8.02 4.46 0.00 3.12 3.38 0.00 5.95 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.24 4.19 0.00 2.13 1.88 0.00 3.45 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 157 L 8.32 4.14 0.00 1.52 1.73 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.26 5.10 0.00 2.92 2.67 0.00 0.00 6.94 8.03 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 0.00 159 P 0.00 4.22 0.00 2.11 2.12 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.39 0.00 160 A 7.99 3.85 1.25 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 0.00 0.00 161 D 8.17 4.36 0.00 2.81 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 0.00 162 A 8.02 4.09 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.58 3.24 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 0.86 0.00 0.00 0.22 0.00 0.00 164 A 8.23 3.89 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 0.00 165 F 8.14 4.10 0.00 2.96 3.40 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 0.00 166 I 7.87 3.55 2.01 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.15 0.84 0.00 0.00 167 E 8.81 4.46 0.00 2.19 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 2.27 2.16 0.00 168 S 8.51 4.60 0.00 3.82 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 0.00 169 T 8.56 4.70 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 1.09 0.00 0.00 170 Y 7.71 3.27 0.00 2.97 3.08 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 0.00 171 D 6.58 4.53 0.00 2.93 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 0.00 172 V 7.69 4.61 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 8.18 4.58 0.00 2.05 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 2.42 2.25 0.00 174 V 8.77 3.60 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 0.90 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.