NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.6640 0.0000 0.0000 62.8377 32.6196 175.2838 10 V 4.2225 8.3500 118.6338 58.5955 34.0092 171.4478 11 E 5.2697 8.6140 125.3226 54.2973 32.5130 174.9057 12 V 4.7623 8.9972 126.2337 60.1080 34.5238 174.6146 13 T 4.6119 8.8615 113.5911 60.6804 71.1707 171.4389 14 Y 5.0176 8.9100 122.0058 56.9808 43.1372 177.4123 15 K 3.6911 8.2151 120.6087 56.9080 31.9153 179.0894 16 N 4.4124 9.0113 122.6242 51.9709 37.1219 175.4021 *18 R 4.1088 7.4514 119.4211 56.8539 32.1864 174.6755 19 F 5.6115 9.6000 124.7188 55.6187 43.1909 174.1470 20 L 4.9476 9.0246 123.6738 53.5301 44.5867 175.5434 21 I 4.6483 8.8806 129.5321 60.7901 38.1303 175.1020 22 T 4.9130 8.3818 122.5791 60.6043 70.1838 172.8124 23 H 4.7325 8.6434 118.9692 53.8128 30.5523 174.5894 24 N 4.0113 8.3981 120.5604 52.7633 39.0886 173.4546 25 P 4.2949 0.0000 0.0000 61.6609 33.1994 174.8273 26 T 4.6372 7.4839 106.5478 59.6131 71.4291 174.5409 27 N 4.2310 8.9187 119.8274 56.3926 38.8646 176.5432 28 A 4.1372 8.0260 120.3216 54.8462 19.0292 178.6085 29 T 4.4748 7.7765 105.1841 61.8830 69.1217 176.5757 30 L 3.9271 7.5068 125.9179 58.6794 41.9509 178.7204 31 N 4.3480 8.1035 115.9857 56.4428 38.6398 177.4276 32 K 4.0045 8.0359 119.3244 59.1057 32.1402 179.0156 33 F 4.2369 8.2074 121.0277 61.5162 39.3053 177.2032 34 I 3.5378 8.1434 119.6572 64.2393 36.8074 177.8713 35 E 3.8888 8.3401 120.1939 59.4413 29.4255 178.8875 36 E 3.9162 8.2204 118.2816 59.3900 29.5905 179.0688 37 L 3.9858 7.7530 119.0189 58.0091 41.6942 179.7911 38 K 3.9516 8.1705 118.1816 59.5752 31.7572 179.5883 39 K 4.0025 7.5783 117.3672 59.2062 32.0201 178.2133 40 Y 4.3873 7.8201 114.7426 57.6643 38.3713 175.9939 41 G 3.9378 8.0536 108.6846 46.3095 0.0000 173.8702 42 V 4.7840 7.7810 112.3938 61.0500 32.2362 176.3918 43 T 4.6356 8.4411 118.5632 63.8376 71.0378 173.8316 44 T 5.1635 7.6853 117.2884 61.9916 73.5896 172.6276 45 I 4.9869 8.8937 125.5312 59.5213 41.0506 174.4961 46 V 4.4023 8.9185 127.3060 61.1959 33.7877 174.4797 47 R 4.5596 8.9240 128.4817 55.1124 31.3165 177.2608 48 V 4.4518 8.1159 116.7007 60.9573 32.6418 174.9865 49 C 5.1056 7.3491 118.7236 55.4786 43.7767 173.1117 50 E 3.8466 8.9644 121.8362 57.4351 29.7217 177.3748 51 A 4.2775 8.3836 128.6877 51.4407 18.7169 176.9779 52 T 4.4418 8.2886 112.3821 62.2740 70.2458 174.1390 53 Y 4.8904 6.8998 118.7121 54.6786 41.1954 174.2716 54 D 4.4668 8.7523 120.8415 54.6297 42.0943 176.6100 55 T 4.6209 8.3419 115.3716 61.8771 69.2910 176.5522 56 T 3.8537 7.8037 114.1097 65.3235 68.5537 176.0602 57 L 3.9676 7.9293 122.9836 57.5120 42.2937 178.9535 58 V 3.6370 7.8058 117.7300 66.2228 31.7206 177.7454 59 E 4.5983 8.7642 119.9820 58.8427 29.0250 179.3233 60 K 4.0594 8.1058 119.0504 59.2172 32.3272 177.8781 61 E 4.3665 7.6696 116.1858 56.4168 29.4078 177.3354 62 G 3.8345 7.9815 107.3971 45.2842 0.0000 173.2807 63 I 4.5361 7.5803 120.6531 59.4245 39.1563 174.4566 64 H 5.4287 8.8028 128.2529 55.2174 31.0966 173.9369 65 V 4.7025 8.7765 126.0001 61.0869 33.3949 174.5724 66 L 4.4461 8.8546 127.7857 52.9092 44.4073 175.2360 67 D 5.0190 8.6218 123.8400 52.5065 41.6037 176.3420 68 W 5.2141 8.4593 125.4518 54.3103 28.9622 173.2049 69 P 5.2050 0.0000 0.0000 61.8420 32.2415 176.7225 70 F 4.9332 7.8477 117.9751 56.5755 40.2377 173.4825 71 D 4.1906 8.2006 123.3330 49.8537 43.4034 175.8810 72 D 4.2771 8.6610 120.7034 55.8170 40.7378 177.3936 73 G 4.2334 9.0234 117.6583 45.9287 0.0000 173.3596 74 A 3.9120 8.2394 121.2076 51.7111 18.8044 175.6808 75 P 3.3660 0.0000 0.0000 61.0674 32.0262 174.9376 76 P 3.8371 0.0000 0.0000 62.0134 31.9458 177.4419 77 S 4.2447 8.2425 117.0144 58.2763 64.9402 175.0873 78 N 4.2951 8.6714 120.4136 56.7335 38.1859 177.4415 79 Q 3.8690 7.9138 120.3644 59.0990 29.1807 178.1163 80 I 3.3051 7.3638 121.0228 64.1802 37.0546 178.5397 81 V 3.7129 7.7235 119.0421 66.1521 31.3472 177.8026 82 D 4.3981 8.3083 118.7063 57.5683 40.6953 178.5414 83 D 4.2744 8.2791 119.7569 56.8856 40.5809 178.6879 84 W 4.8230 8.5671 129.2589 60.8797 30.8320 178.1099 85 L 3.9027 8.5555 119.3391 57.7573 40.9897 179.5317 86 S 4.0898 8.3596 113.3601 61.1104 62.2668 176.0028 87 L 3.9259 8.0877 123.1386 58.0519 41.7323 178.9956 88 V 3.3366 7.6926 118.4650 65.7578 29.8731 177.6521 89 K 3.8802 8.0527 119.2621 59.7095 32.0439 178.5600 90 I 3.8138 7.6468 118.5893 63.8321 37.8736 177.8549 91 K 3.7545 7.9399 119.3911 59.5554 31.7402 179.1122 92 F 4.4729 7.2246 114.9576 58.9750 38.8512 176.8092 93 R 4.3246 7.0219 116.5620 58.6065 30.7138 177.6750 94 E 4.2892 8.5900 116.8540 57.5411 31.0351 177.0131 95 E 4.6231 8.2551 118.6758 52.7616 29.9097 172.1118 96 P 4.5234 0.0000 0.0000 64.2058 32.1277 177.1071 97 G 3.9152 9.0637 110.4652 45.6782 0.0000 173.0122 98 C 4.6539 7.7642 114.8852 57.4196 31.3214 172.0057 99 C 5.2581 8.5705 118.1553 57.8879 35.1464 172.5473 100 I 4.9285 8.6089 124.9459 59.6351 39.3417 174.5941 101 A 5.3067 9.0866 129.3246 50.7912 21.5032 175.9406 102 V 5.0809 8.8255 119.6458 61.7134 35.6292 173.8760 103 H 5.1713 8.7964 120.7357 53.7565 32.4324 174.6506 104 C 4.8778 8.8280 117.6302 56.7094 42.8765 175.4335 105 V 4.1546 8.6585 112.6243 62.0038 32.7577 175.2960 106 A 4.3959 7.6630 122.0141 49.6112 19.2197 175.6584 107 G 3.8397 8.3456 107.6889 44.0405 0.0000 170.3703 108 L 3.9431 8.6292 117.3586 57.7881 42.6134 178.3323 109 G 3.7268 7.4169 105.5088 47.2755 0.0000 175.2072 110 R 4.3312 8.3831 123.1327 56.1515 31.0628 177.6475 111 A 3.9487 7.8143 121.2553 54.8009 18.2123 177.6979 112 P 4.2240 0.0000 0.0000 64.2257 31.4274 178.7486 113 V 3.8352 7.7571 118.2023 66.2541 31.5203 177.8598 114 L 3.5796 7.7379 118.0499 57.5314 41.2548 179.5875 115 V 3.2858 7.0348 117.3566 65.7966 31.3754 177.8793 116 A 4.0844 8.2908 120.6207 55.3134 18.2283 179.6160 117 L 3.7764 7.9362 117.2026 57.8002 41.6487 179.6547 118 A 4.3377 8.2893 120.9390 55.0830 18.1326 179.7396 119 L 4.0529 7.8569 116.9150 58.0169 41.9488 179.3679 120 I 3.9071 8.1013 119.9900 64.4584 36.8459 178.1110 121 E 4.2398 8.3119 119.2700 59.0812 29.5964 178.3763 122 G 3.7659 7.9177 103.3644 44.4074 0.0000 172.6976 123 G 3.9349 7.7659 110.6554 46.1598 0.0000 174.1137 *125 K 4.1756 7.6926 118.5920 55.8953 35.1086 176.2605 126 Y 4.1646 8.5329 119.2385 60.5529 37.6711 178.5913 127 E 3.3194 7.0638 119.6232 58.9909 29.4663 178.8757 128 D 4.2443 7.7938 118.1553 57.2275 40.9525 178.4760 129 A 3.9415 7.8656 121.2823 55.1006 18.2919 179.8397 130 V 3.4239 7.8955 116.9900 66.2472 31.5284 178.3445 131 Q 4.0001 8.1747 117.8103 58.9097 28.3282 178.3595 132 F 4.1081 8.4445 121.1323 61.3919 39.5637 176.9667 133 I 3.9977 8.0786 119.3981 64.3727 36.7885 178.5924 134 R 4.2212 8.5211 119.2118 59.1488 29.6031 178.8194 135 Q 4.0608 8.1404 118.7832 58.4040 28.9827 177.5939 136 K 4.5189 7.1525 118.5897 56.5071 33.4691 176.2838 137 R 4.3954 8.1521 119.8622 53.7662 31.1231 175.1242 138 R 3.9420 8.8290 121.9724 59.1668 29.1330 178.1069 139 G 3.9174 8.1373 104.5059 45.4585 0.0000 175.0190 140 A 3.1090 6.8553 118.5568 53.4114 19.2572 178.2580 141 F 4.9391 7.9626 115.3600 55.2769 42.0282 175.8476 142 N 4.9368 8.9036 121.5609 50.9844 40.6513 176.2024 143 S 4.0988 8.4991 115.2007 61.9624 62.7123 176.5935 144 K 3.9154 8.1734 122.0707 59.1489 31.7995 179.1693 145 Q 2.9000 8.6497 118.3462 58.4861 28.6710 178.6510 146 L 3.8151 7.8275 120.0414 57.6109 41.3923 179.5434 147 L 3.9108 7.6713 118.2947 57.8150 41.5103 178.7356 148 Y 4.3641 7.5525 116.2352 59.0499 38.1140 177.6257 149 L 4.0095 7.4722 121.4532 57.4347 41.4150 178.7400 150 E 2.5681 7.2968 118.9363 57.9766 29.5953 177.4388 151 K 4.2718 7.1954 115.3214 56.3189 32.8075 176.2337 152 Y 4.0433 7.4398 121.5982 57.6986 38.9639 175.5424 153 R 4.1935 7.6173 126.6052 53.3155 30.4937 174.1167 154 P 4.2594 0.0000 0.0000 62.1857 33.6903 175.7413 155 K 3.8769 8.6710 123.1053 58.1841 30.0435 178.9167 *157 R 4.3368 9.0877 128.7027 56.3243 32.6065 175.8923 158 L 4.0449 7.9268 117.9501 54.5597 42.2355 176.3722 159 R 4.6455 7.9057 121.1269 54.4864 32.4651 176.3108 160 F 4.3730 8.4519 118.3738 57.8233 39.9291 174.8638 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 9 P 0.00 4.66 0.00 1.99 2.17 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 10 V 8.35 4.22 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 0.63 0.00 0.00 0.92 0.00 0.00 11 E 8.61 5.27 0.00 1.86 1.82 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 2.23 2.42 0.00 12 V 9.00 4.76 2.20 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 1.13 0.00 0.00 1.38 0.00 0.00 13 T 8.86 4.61 4.29 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 1.26 0.00 0.00 14 Y 8.91 5.02 0.00 2.76 2.70 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 15 K 8.22 3.69 0.00 1.57 1.19 0.00 1.15 0.00 0.00 0.66 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 16 N 9.01 4.41 0.00 2.83 2.88 0.00 0.00 5.84 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 *18 R 7.45 4.11 0.00 1.82 2.02 0.00 3.39 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 19 F 9.60 5.61 0.00 3.19 3.09 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 20 L 9.02 4.95 0.00 1.61 1.48 0.25 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.88 4.65 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.85 0.00 0.00 22 T 8.38 4.91 4.33 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 1.50 0.00 0.00 23 H 8.64 4.73 0.00 3.11 3.17 0.00 5.95 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.40 4.01 0.00 2.79 2.77 0.00 0.00 7.03 7.69 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 25 P 0.00 4.29 0.00 1.35 0.49 0.00 3.09 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 26 T 7.48 4.64 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 1.13 0.00 0.00 27 N 8.92 4.23 0.00 2.74 2.97 0.00 0.00 6.94 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 28 A 8.03 4.14 1.26 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 0.00 0.00 0.00 29 T 7.78 4.47 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 1.17 0.00 0.00 30 L 7.51 3.93 0.00 2.00 1.71 0.61 0.65 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 31 N 8.10 4.35 0.00 2.78 2.86 0.00 0.00 7.16 7.95 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 32 K 8.04 4.00 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.51 7.81 33 F 8.21 4.24 0.00 3.12 3.22 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 34 I 8.14 3.54 2.03 0.00 0.00 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 1.46 0.71 0.91 0.00 0.00 35 E 8.34 3.89 0.00 2.08 2.16 0.00 0.00 0.00 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 2.35 0.00 36 E 8.22 3.92 0.00 2.18 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 2.51 2.57 0.00 37 L 7.75 3.99 0.00 1.65 1.61 0.41 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.17 3.95 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.63 7.81 39 K 7.58 4.00 0.00 1.67 1.65 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.59 7.81 40 Y 7.82 4.39 0.00 3.12 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 41 G 8.05 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 0.00 0.00 0.00 42 V 7.78 4.78 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 0.94 0.00 0.00 0.92 0.00 0.00 43 T 8.44 4.64 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 1.32 0.00 0.00 44 T 7.69 5.16 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 1.21 0.00 0.00 45 I 8.89 4.99 1.95 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 1.22 0.84 1.10 0.00 0.00 46 V 8.92 4.40 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 0.81 0.00 0.00 0.90 0.00 0.00 47 R 8.92 4.56 0.00 1.74 1.68 0.00 3.02 0.00 0.00 3.02 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 48 V 8.12 4.45 1.16 0.00 0.00 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 0.71 0.00 0.00 49 C 7.35 5.11 0.00 2.60 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 50 E 8.96 3.85 0.00 1.88 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 2.26 2.29 0.00 51 A 8.38 4.28 1.13 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 0.00 0.00 52 T 8.29 4.44 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 1.26 0.00 0.00 53 Y 6.90 4.89 0.00 3.00 2.85 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 54 D 8.75 4.47 0.00 2.68 2.67 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 55 T 8.34 4.62 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 1.07 0.00 0.00 56 T 7.80 3.85 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 1.28 0.00 0.00 57 L 7.93 3.97 0.00 1.83 1.76 0.95 0.90 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 58 V 7.81 3.64 2.36 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 1.21 0.00 0.00 1.15 0.00 0.00 59 E 8.76 4.60 0.00 2.14 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 2.51 2.36 0.00 60 K 8.11 4.06 0.00 1.85 2.09 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.64 7.81 61 E 7.67 4.37 0.00 2.10 1.97 0.00 0.00 0.00 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 2.48 0.00 62 G 7.98 3.83 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 0.00 0.00 0.00 63 I 7.58 4.54 2.03 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 1.12 1.33 0.93 0.00 0.00 64 H 8.80 5.43 0.00 3.27 3.16 0.00 5.78 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 65 V 8.78 4.70 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 0.75 0.00 0.00 1.06 0.00 0.00 66 L 8.85 4.45 0.00 0.75 0.40 0.46 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.62 5.02 0.00 2.55 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.46 5.21 0.00 3.36 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 69 P 0.00 5.21 0.00 1.95 1.93 0.00 3.77 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 70 F 7.85 4.93 0.00 2.80 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 71 D 8.20 4.19 0.00 2.77 2.67 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 72 D 8.66 4.28 0.00 2.76 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 73 G 9.02 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 0.00 0.00 0.00 0.00 74 A 8.24 3.91 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 75 P 0.00 3.37 0.00 1.67 1.15 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.29 0.00 76 P 0.00 3.84 0.00 1.60 1.19 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 77 S 8.24 4.24 0.00 3.98 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 78 N 8.67 4.30 0.00 2.72 2.90 0.00 0.00 6.51 8.05 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 79 Q 7.91 3.87 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 80 I 7.36 3.31 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.37 0.94 0.00 0.00 81 V 7.72 3.71 2.29 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 1.36 0.00 0.00 1.01 0.00 0.00 82 D 8.31 4.40 0.00 2.84 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 83 D 8.28 4.27 0.00 1.95 1.85 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 84 W 8.57 4.82 0.00 3.63 3.44 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 0.00 0.00 0.00 0.00 85 L 8.56 3.90 0.00 1.97 1.76 1.18 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.36 4.09 0.00 3.99 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 87 L 8.09 3.93 0.00 2.20 1.94 0.94 0.79 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 88 V 7.69 3.34 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 1.27 0.00 0.00 0.36 0.00 0.00 89 K 8.05 3.88 0.00 1.90 1.94 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.37 7.81 90 I 7.65 3.81 1.85 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 1.48 1.16 0.99 0.00 0.00 91 K 7.94 3.75 0.00 1.18 1.39 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.39 7.81 92 F 7.22 4.47 0.00 3.09 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 93 R 7.02 4.32 0.00 1.97 2.05 0.00 3.23 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 94 E 8.59 4.29 0.00 1.97 1.97 0.00 0.00 0.00 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 2.45 0.00 95 E 8.26 4.62 0.00 2.05 1.81 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 2.19 2.20 0.00 96 P 0.00 4.52 0.00 2.05 2.04 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 97 G 9.06 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 98 C 7.76 4.65 0.00 3.25 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 99 C 8.57 5.26 0.00 3.16 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 0.00 100 I 8.61 4.93 2.25 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.12 1.29 0.00 0.00 101 A 9.09 5.31 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 0.00 102 V 8.83 5.08 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 0.92 0.00 0.00 1.09 0.00 0.00 103 H 8.80 5.17 0.00 3.40 3.43 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.83 4.88 0.00 2.83 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 0.00 0.00 0.00 0.00 105 V 8.66 4.15 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 0.77 0.00 0.00 0.92 0.00 0.00 106 A 7.66 4.40 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 0.00 107 G 8.35 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 0.00 0.00 0.00 108 L 8.63 3.94 0.00 1.57 1.58 0.80 0.75 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 0.00 109 G 7.42 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 0.00 110 R 8.38 4.33 0.00 1.72 2.22 0.00 2.93 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 111 A 7.81 3.95 1.31 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 0.00 0.00 0.00 112 P 0.00 4.22 0.00 1.26 1.72 0.00 3.46 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 1.70 1.91 0.00 113 V 7.76 3.84 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 1.11 0.00 0.00 1.20 0.00 0.00 114 L 7.74 3.58 0.00 0.89 0.13 0.52 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.03 3.29 2.21 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 0.94 0.00 0.00 0.85 0.00 0.00 116 A 8.29 4.08 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.94 3.78 0.00 1.90 1.83 0.44 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.29 4.34 1.70 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 0.00 119 L 7.86 4.05 0.00 1.82 1.55 1.05 0.91 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 0.00 120 I 8.10 3.91 2.19 0.00 0.00 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 1.51 0.76 1.15 0.00 0.00 121 E 8.31 4.24 0.00 2.49 2.29 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 2.52 2.55 0.00 122 G 7.92 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 0.00 0.00 0.00 123 G 7.77 3.93 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 0.00 0.00 0.00 *125 K 7.69 4.18 0.00 1.77 1.92 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.51 7.81 126 Y 8.53 4.16 0.00 3.09 3.23 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 0.00 127 E 7.06 3.32 0.00 1.72 1.71 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 0.00 1.98 1.47 0.00 128 D 7.79 4.24 0.00 2.66 2.58 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 0.00 129 A 7.87 3.94 1.33 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 0.00 0.00 130 V 7.90 3.42 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 1.05 0.00 0.00 0.48 0.00 0.00 131 Q 8.17 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 132 F 8.44 4.11 0.00 3.01 3.22 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 0.00 133 I 8.08 4.00 2.35 0.00 0.00 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 2.09 1.17 0.92 0.00 0.00 134 R 8.52 4.22 0.00 1.95 2.01 0.00 3.20 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 135 Q 8.14 4.06 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 136 K 7.15 4.52 0.00 1.90 1.79 0.00 1.43 0.00 0.00 1.34 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.52 1.41 7.81 137 R 8.15 4.40 0.00 1.75 1.70 0.00 3.14 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 138 R 8.83 3.94 0.00 1.95 2.09 0.00 3.07 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 139 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 0.00 140 A 6.86 3.11 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 0.00 0.00 0.00 0.00 0.00 141 F 7.96 4.94 0.00 2.94 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 0.00 142 N 8.90 4.94 0.00 3.00 2.97 0.00 0.00 6.95 7.52 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 0.00 143 S 8.50 4.10 0.00 4.07 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 0.00 144 K 8.17 3.92 0.00 2.02 2.02 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.58 7.81 145 Q 8.65 2.90 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 146 L 7.83 3.82 0.00 1.81 1.72 0.95 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.67 3.91 0.00 1.79 1.73 0.91 0.83 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 0.00 148 Y 7.55 4.36 0.00 3.00 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 0.00 149 L 7.47 4.01 0.00 1.51 1.53 0.42 0.51 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 0.00 150 E 7.30 2.57 0.00 1.54 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 2.20 2.22 0.00 151 K 7.20 4.27 0.00 1.78 1.83 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.38 7.81 152 Y 7.44 4.04 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 0.00 153 R 7.62 4.19 0.00 1.58 1.69 0.00 3.21 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 154 P 0.00 4.26 0.00 2.26 2.25 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 155 K 8.67 3.88 0.00 1.78 1.48 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.43 7.81 *157 R 9.09 4.34 0.00 1.85 2.04 0.00 3.39 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 158 L 7.93 4.04 0.00 1.72 1.18 1.08 0.82 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 0.00 159 R 7.91 4.65 0.00 1.63 1.75 0.00 3.10 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 160 F 8.45 4.37 0.00 2.91 2.82 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 * Residues marked with a * may have inaccurate shift predictions.