NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3228 8.1744 117.3844 63.4440 69.9129 172.3830 8 V 4.3186 8.3254 125.9290 61.3509 33.1452 173.2447 9 T 4.7197 9.8090 125.8862 61.9103 71.7189 172.7626 10 I 5.1059 8.2540 125.8942 59.5775 39.2385 174.9588 11 K 4.8375 9.0657 124.7749 54.9094 36.4790 173.3665 12 P 3.9378 0.0000 0.0000 62.2761 31.7312 176.4739 13 I 3.8274 8.0714 124.9311 61.3375 38.6544 175.3849 14 R 4.6412 8.4942 125.8112 54.1406 33.7469 176.7833 15 A 3.8731 8.3221 123.0960 55.3565 18.8929 179.6823 16 E 3.9297 8.0756 115.1561 59.6142 29.9058 178.0356 17 H 4.5927 8.6706 115.2694 56.9544 28.8813 177.5021 18 V 3.7311 7.5441 121.0770 66.0922 31.3092 177.2410 19 E 3.9268 8.2555 118.3445 59.6115 29.4529 178.6534 20 S 4.1586 8.1204 112.5015 61.0799 62.4067 175.5767 21 F 4.1748 8.4399 123.5036 61.6251 39.1178 176.2268 22 H 3.5922 8.1829 117.9124 59.6449 29.5137 177.0866 23 R 3.8123 7.7357 118.8325 59.0199 29.8329 179.0006 24 A 4.0435 7.9145 120.6927 54.9750 18.3807 179.4458 25 L 3.3498 7.4816 119.1391 58.0396 42.1658 178.5507 26 D 4.2782 7.9543 117.8983 57.3789 40.9045 178.1506 27 A 3.9962 7.6686 119.8392 55.1921 18.5535 179.4960 28 V 4.4164 7.9933 118.1498 65.8848 31.7411 178.4099 29 S 3.8761 8.3780 115.3364 61.5935 62.3818 176.8092 30 R 4.2824 7.6157 120.5118 58.0716 29.1916 178.4784 31 E 4.0208 8.0433 118.8438 57.0180 29.1258 177.6534 32 R 4.0352 7.7990 116.0304 56.9587 28.0761 176.6659 33 K 4.4721 7.2575 113.3770 56.3583 34.1854 175.6419 34 Y 4.5710 7.7918 115.2770 59.3737 40.1304 175.8180 35 L 4.6878 7.5599 117.0607 52.9324 43.5694 176.8674 36 S 4.4301 8.7411 114.6465 60.0186 63.5394 174.2780 37 F 5.0265 8.1150 115.5327 55.4607 39.9210 175.3857 38 L 4.5692 8.3704 120.1194 55.3709 42.7384 175.9670 39 E 4.7115 7.7896 116.7785 54.1941 32.6322 174.1229 40 A 4.4794 8.6912 125.9888 51.2133 18.9683 175.9626 41 P 4.4525 0.0000 0.0000 61.5218 32.3334 175.5662 42 P 4.4647 0.0000 0.0000 62.1682 33.3558 177.2052 43 L 3.6426 8.4152 121.2497 58.7521 41.6093 179.4917 44 E 3.9591 8.0432 117.4662 59.2144 29.6729 178.7103 45 A 4.0075 7.9792 120.3794 55.3920 18.3626 179.7451 46 V 3.7080 7.7275 116.0921 65.7460 31.4735 178.3757 47 R 3.8654 8.0011 118.1455 59.2814 30.0221 177.9660 48 A 3.9770 7.7340 120.3481 55.3343 18.1389 179.0106 49 F 4.0457 7.8766 117.1005 61.7684 39.5061 177.1970 50 V 3.4311 7.8335 116.1056 65.9754 31.5306 177.6967 51 L 4.1011 8.1067 118.8131 57.3350 41.4672 178.6800 52 D 4.2254 8.1578 115.0303 55.7377 41.0353 177.7375 *54 I 3.9111 7.5807 118.9341 61.4850 39.1106 177.3128 55 E 3.8543 8.2824 118.5898 59.8369 29.2232 178.5070 56 N 4.5352 7.7929 111.8381 52.9745 38.7474 174.5398 57 D 4.4231 7.6751 116.8504 55.5162 40.1309 173.1646 58 H 4.3040 8.0103 113.4692 53.8672 29.9402 173.6574 59 P 4.3918 0.0000 0.0000 62.9337 32.4408 175.5155 60 Q 4.7274 8.2308 126.6939 55.3436 31.4852 172.7188 61 F 5.1405 9.7877 126.0975 55.6252 42.5616 175.1128 62 V 5.0677 8.8898 115.1965 59.5720 35.4189 174.2651 63 A 5.1329 8.8899 125.4303 50.3610 21.4644 175.7069 64 I 4.9663 9.0167 123.4007 59.3290 40.6503 174.6171 65 A 4.7152 8.5542 128.0814 50.5264 21.8146 175.5862 66 D 4.2850 8.9259 123.4590 57.2762 37.2453 174.5002 67 G 4.1888 8.1815 101.7806 46.1615 0.0000 172.6219 68 D 4.9518 7.3707 118.3283 51.6623 43.1872 175.9836 69 V 4.1403 8.4119 124.1032 63.1993 31.7265 175.5895 70 I 4.4042 8.6280 120.5788 60.4104 38.8384 174.9977 71 G 4.4864 7.9207 108.5712 46.0713 0.0000 172.3492 72 W 5.9005 8.5771 116.8171 55.6345 31.7853 173.7780 73 C 5.0991 9.5048 121.4073 58.4152 34.8368 172.3997 74 D 5.3652 9.7365 124.8659 52.1760 43.2282 174.1887 75 I 4.9951 8.6544 120.5136 59.8410 39.9646 175.2919 76 R 4.4406 8.6605 127.4479 54.3237 31.4951 176.2963 77 R 4.2990 8.2259 125.0981 56.4199 30.7319 176.3444 78 Q 4.1660 8.8541 125.1514 55.8781 28.8245 176.3361 79 D 4.4393 8.4406 122.3018 56.1156 41.6774 176.0942 80 R 3.6127 7.4558 115.7646 55.4728 30.6491 176.9044 81 A 4.0300 8.9095 129.5737 55.6474 18.4066 178.4355 82 T 4.1244 7.9345 103.7162 63.4969 69.2698 175.0505 83 R 4.5571 8.1023 119.9376 55.8267 31.5491 177.1985 84 A 4.3542 8.3226 120.1834 54.1381 18.6254 177.7379 85 H 4.7317 8.4669 110.5319 56.6788 29.8235 174.6848 86 C 5.3403 8.5218 117.7344 58.1551 31.6631 173.1194 87 G 4.5121 9.0551 107.8030 44.8568 0.0000 171.3796 88 T 5.1382 8.7393 117.7093 61.4480 70.8079 173.5770 89 L 4.9153 8.8295 129.9146 54.5557 43.2179 175.8250 90 G 4.3059 9.3715 112.2388 44.4789 0.0000 171.5638 *92 G 3.0937 8.3961 107.2462 44.8396 0.0000 172.1423 93 I 4.8847 7.3354 119.8287 58.8341 41.2820 175.6557 94 L 4.2846 8.8621 124.8994 54.1270 42.3768 176.4219 95 P 4.1664 0.0000 0.0000 65.8577 31.3882 178.7176 96 A 3.8012 8.0743 118.9112 54.6914 18.1963 177.4275 97 Y 4.3028 7.6023 111.0351 57.9087 38.7302 176.4039 98 R 4.0565 7.4805 119.4862 56.6054 30.6990 175.1375 99 N 4.2115 8.6490 115.0676 54.8589 37.1627 174.4938 100 K 4.5350 8.0105 111.5727 55.7102 33.9126 177.5088 101 G 3.9508 8.4891 106.9785 45.5197 0.0000 175.7555 102 L 4.0903 7.8154 121.8158 57.6850 41.9158 178.8013 103 G 3.4906 7.9840 104.5486 47.4098 0.0000 174.8797 104 A 4.1799 7.9299 121.7621 55.2805 18.7056 179.4416 105 R 4.0469 7.6536 116.2091 59.1586 30.1517 179.7467 106 L 3.8751 8.0059 117.5218 55.7906 41.8643 178.6536 *108 R 4.2809 7.9518 118.1518 55.8434 32.2984 177.9829 109 R 3.6702 7.8422 116.7145 59.6645 29.8997 179.3063 110 T 3.8988 7.6295 115.1904 66.2446 68.3446 177.0477 111 L 4.1947 7.8573 120.5089 58.0184 41.7505 178.7972 112 D 4.2742 8.1338 118.5446 57.5503 40.7044 179.0177 113 A 4.0607 8.1929 120.7337 55.1971 18.4138 179.5428 114 A 4.0474 8.2811 119.3232 55.4715 18.5306 179.4651 115 H 3.5027 8.3508 117.1371 59.0669 29.6075 176.7677 116 E 3.8394 8.0497 120.2057 59.6832 29.4545 178.6239 117 F 4.1668 8.4017 119.2108 59.6011 39.3981 175.7952 118 G 4.0989 7.7062 105.8712 45.1404 0.0000 173.7137 119 L 4.3760 7.9317 119.1050 55.0600 42.3351 176.3740 120 H 4.9372 9.2642 121.0867 57.4654 31.9142 174.8733 121 R 4.7539 7.8131 118.3038 54.6403 33.4750 173.5967 122 I 4.9858 8.5162 127.7891 59.4163 39.7542 174.5187 123 E 5.2271 9.3193 125.0133 54.5528 32.6459 174.6904 124 L 5.0724 8.1214 119.9680 54.5491 44.7714 174.2534 125 S 5.0747 8.3867 112.7198 56.6060 65.4884 173.3088 126 V 4.6629 8.5888 124.9653 60.2136 35.0278 173.8745 127 H 4.7857 9.1244 120.6002 56.3268 29.1798 176.4701 128 A 4.0528 8.9582 125.5944 54.5336 18.4203 178.1551 129 D 4.6228 8.0193 113.2968 53.9770 40.6309 176.8990 130 N 4.6954 8.2238 121.9591 52.2603 37.5146 174.9236 131 A 4.0185 7.8951 124.3204 54.7884 18.9649 179.3329 132 R 3.6674 7.8722 116.5201 59.3892 30.2802 178.1470 133 A 3.4060 7.5209 120.2160 55.1644 18.2248 179.5280 134 I 3.6167 7.9141 118.1333 64.5214 37.2220 178.2587 135 A 3.9519 8.0325 121.6008 55.2321 18.0541 179.4078 136 L 3.8055 7.6982 118.4366 58.5092 42.1716 178.8110 137 Y 4.3719 7.6221 116.6418 61.2154 37.8090 178.3576 138 E 4.0526 8.5540 119.7583 59.3501 29.3666 179.3918 139 K 3.9566 7.8973 118.3320 59.7317 32.4028 178.6135 140 I 3.9483 7.9172 119.0826 63.4826 37.0725 176.6843 141 G 4.0430 7.6500 104.9036 44.9288 0.0000 174.0494 142 F 4.2677 8.3669 118.6770 57.4063 39.5264 174.5905 143 A 4.8715 8.4547 123.7045 50.2345 21.3506 176.2729 144 H 4.3528 8.8284 118.1274 55.9847 29.1768 175.4174 145 E 4.5217 10.5927 121.3819 55.7061 31.0957 176.5598 146 G 4.0370 6.8945 105.9482 44.1866 0.0000 171.1900 147 R 4.9228 7.8625 119.7300 54.7374 33.1773 175.0801 148 A 4.4397 9.4691 129.6850 50.5347 19.4720 176.3802 149 R 4.1811 8.5019 120.7831 57.9382 30.7350 176.8445 150 D 4.4228 9.4727 124.1502 55.3257 38.8404 175.3841 151 A 4.1287 8.2623 123.8326 54.0753 18.9273 178.9584 152 V 4.3980 8.0950 115.5166 60.9389 34.0354 174.1896 153 S 4.9843 8.7546 120.7005 56.9579 63.9146 172.2418 154 I 4.2382 8.3660 127.1916 62.7330 39.4608 176.4895 155 D 4.7464 7.3128 116.9780 53.1364 40.8465 177.3131 156 G 3.7723 7.8137 104.1557 46.0130 0.0000 171.8311 157 H 4.8300 7.2496 115.9619 54.0341 30.8386 173.0026 158 Y 5.2585 8.2000 120.4832 57.0688 39.4067 174.9875 159 I 4.6609 9.2103 124.9813 59.4443 40.7722 175.1173 160 D 5.1072 8.7389 125.5148 54.4427 42.5257 175.1977 161 S 5.2369 8.6472 116.3352 56.8637 66.5749 173.0582 162 L 4.9759 9.2985 124.2579 53.6366 43.4432 176.1492 163 N 5.4395 9.1692 120.7620 51.3545 41.1426 173.9326 *165 A 4.7336 8.2118 120.8468 52.1814 20.5075 175.4200 166 I 4.4626 8.3132 118.6758 59.0448 41.9197 174.1734 167 I 4.5937 7.6843 127.1496 59.1595 39.9919 175.2624 168 F 4.4944 8.7036 127.3072 57.3238 39.6592 176.0612 169 G 3.7836 8.7851 110.8755 45.8342 0.0000 173.4550 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 7 T 8.17 4.32 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 1.23 0.00 0.00 8 V 8.33 4.32 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 0.73 0.00 0.00 0.96 0.00 0.00 9 T 9.81 4.72 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 1.24 0.00 0.00 10 I 8.25 5.11 1.89 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 1.42 0.58 0.98 0.00 0.00 11 K 9.07 4.84 0.00 1.84 1.93 0.00 1.39 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.44 7.81 12 P 0.00 3.94 0.00 1.79 1.61 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 13 I 8.07 3.83 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.72 0.00 0.00 14 R 8.49 4.64 0.00 1.72 1.68 0.00 3.18 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 15 A 8.32 3.87 1.27 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 0.00 0.00 16 E 8.08 3.93 0.00 1.89 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 2.23 2.37 0.00 17 H 8.67 4.59 0.00 3.24 3.33 0.00 5.68 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 18 V 7.54 3.73 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 1.14 0.00 0.00 1.02 0.00 0.00 19 E 8.26 3.93 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 20 S 8.12 4.16 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 21 F 8.44 4.17 0.00 3.23 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 22 H 8.18 3.59 0.00 3.21 3.49 0.00 5.84 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 23 R 7.74 3.81 0.00 1.97 1.96 0.00 3.20 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 24 A 7.91 4.04 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.48 3.35 0.00 0.46 1.24 0.69 0.82 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 26 D 7.95 4.28 0.00 2.63 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 27 A 7.67 4.00 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 28 V 7.99 4.42 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 1.50 0.00 0.00 1.15 0.00 0.00 29 S 8.38 3.88 0.00 3.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.62 4.28 0.00 1.94 1.98 0.00 3.12 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 31 E 8.04 4.02 0.00 2.08 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 2.38 2.61 0.00 32 R 7.80 4.04 0.00 1.92 1.95 0.00 3.07 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 33 K 7.26 4.47 0.00 1.70 1.54 0.00 1.23 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 Y 7.79 4.57 0.00 2.88 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 35 L 7.56 4.69 0.00 1.25 1.27 0.79 0.99 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 36 S 8.74 4.43 0.00 4.13 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.12 5.03 0.00 3.37 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 38 L 8.37 4.57 0.00 1.74 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.79 4.71 0.00 1.89 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 2.21 2.50 0.00 40 A 8.69 4.48 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 41 P 0.00 4.45 0.00 1.95 1.87 0.00 3.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 42 P 0.00 4.46 0.00 2.13 1.95 0.00 3.59 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 2.09 2.13 0.00 43 L 8.42 3.64 0.00 1.55 1.60 0.87 0.82 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 44 E 8.04 3.96 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 45 A 7.98 4.01 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 46 V 7.73 3.71 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 1.20 0.00 0.00 0.93 0.00 0.00 47 R 8.00 3.87 0.00 2.18 1.92 0.00 3.34 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 48 A 7.73 3.98 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.88 4.05 0.00 3.08 3.42 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 0.00 50 V 7.83 3.43 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 0.79 0.00 0.00 1.08 0.00 0.00 51 L 8.11 4.10 0.00 1.68 1.64 0.93 0.83 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 52 D 8.16 4.23 0.00 2.75 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 *54 I 7.58 3.91 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.37 0.84 0.00 0.00 55 E 8.28 3.85 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 56 N 7.79 4.54 0.00 2.36 2.65 0.00 0.00 7.09 8.02 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 57 D 7.68 4.42 0.00 2.91 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 58 H 8.01 4.30 0.00 3.00 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.93 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 4.39 0.00 2.20 2.23 0.00 3.65 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 60 Q 8.23 4.73 0.00 1.96 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.85 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 61 F 9.79 5.14 0.00 3.03 2.97 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 0.00 0.00 0.00 62 V 8.89 5.07 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 0.64 0.00 0.00 0.80 0.00 0.00 63 A 8.89 5.13 1.19 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 64 I 9.02 4.97 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.92 0.00 0.00 65 A 8.55 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.93 4.28 0.00 2.90 2.87 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 67 G 8.18 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 68 D 7.37 4.95 0.00 2.82 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 69 V 8.41 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0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.52 5.34 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 87 G 9.06 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 88 T 8.74 5.14 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 1.23 0.00 0.00 89 L 8.83 4.92 0.00 1.67 1.44 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 G 9.37 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 0.00 0.00 0.00 0.00 *92 G 8.40 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 0.00 0.00 0.00 93 I 7.34 4.88 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 0.93 0.00 0.00 94 L 8.86 4.28 0.00 1.93 1.76 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.19 4.06 1.62 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 0.00 0.00 114 A 8.28 4.05 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.35 3.50 0.00 1.40 2.92 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.05 3.84 0.00 2.02 2.24 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 2.36 2.42 0.00 117 F 8.40 4.17 0.00 3.20 3.25 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 0.00 118 G 7.71 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 0.00 0.00 0.00 0.00 119 L 7.93 4.38 0.00 2.05 1.78 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.26 4.94 0.00 3.35 3.57 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.79 2.81 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 0.00 130 N 8.22 4.70 0.00 2.86 2.91 0.00 0.00 7.00 8.79 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 0.00 131 A 7.90 4.02 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 0.00 132 R 7.87 3.67 0.00 1.81 1.81 0.00 3.07 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 133 A 7.52 3.41 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 0.00 134 I 7.91 3.62 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.72 1.00 0.00 0.00 135 A 8.03 3.95 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 0.00 136 L 7.70 3.81 0.00 1.57 1.35 0.92 0.67 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 0.00 137 Y 7.62 4.37 0.00 3.05 2.71 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 0.00 0.00 0.00 138 E 8.55 4.05 0.00 2.05 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 2.43 2.52 0.00 139 K 7.90 3.96 0.00 1.88 1.98 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 140 I 7.92 3.95 2.31 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 1.72 1.07 1.13 0.00 0.00 141 G 7.65 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 0.00 142 F 8.37 4.27 0.00 3.08 2.97 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 0.00 0.00 0.00 143 A 8.45 4.87 1.19 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 0.00 144 H 8.83 4.35 0.00 3.10 3.30 0.00 5.65 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 0.00 145 E 10.59 4.52 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 146 G 6.89 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 0.00 147 R 7.86 4.92 0.00 1.79 1.77 0.00 3.24 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 148 A 9.47 4.44 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 0.00 149 R 8.50 4.18 0.00 1.67 1.86 0.00 3.34 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 150 D 9.47 4.42 0.00 2.57 2.27 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 0.00 151 A 8.26 4.13 1.37 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 0.00 0.00 0.00 152 V 8.09 4.40 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 0.95 0.00 0.00 0.97 0.00 0.00 153 S 8.75 4.98 0.00 3.99 3.75 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 0.00 154 I 8.37 4.24 1.83 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 1.30 0.74 0.89 0.00 0.00 155 D 7.31 4.75 0.00 2.58 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 0.00 0.00 0.00 0.00 156 G 7.81 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 0.00 157 H 7.25 4.83 0.00 3.20 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 8.20 5.26 0.00 2.93 2.92 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 0.00 159 I 9.21 4.66 1.79 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 1.21 1.13 0.85 0.00 0.00 160 D 8.74 5.11 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 5.24 0.00 3.81 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 0.00 162 L 9.30 4.98 0.00 1.64 1.68 1.00 0.86 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 0.00 163 N 9.17 5.44 0.00 2.67 2.74 0.00 0.00 6.72 7.34 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 *165 A 8.21 4.73 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 0.00 166 I 8.31 4.46 0.56 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.39 0.04 0.00 0.00 167 I 7.68 4.59 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 0.72 0.00 0.00 168 F 8.70 4.49 0.00 3.05 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 0.00 169 G 8.79 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.