NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4262 8.3349 115.3955 58.1202 64.1790 173.5220 3 R 3.3781 8.1252 119.3096 56.2531 30.1868 175.7827 4 G 3.7786 5.8247 105.1969 43.8992 0.0000 170.4933 5 H 5.5680 8.7123 119.0714 54.5950 33.1789 172.4729 6 C 5.3691 9.1800 123.2398 58.1221 30.9033 172.6821 7 I 4.8324 8.6977 124.7239 59.6223 39.2330 174.5843 8 L 5.0064 9.0596 128.1319 53.0160 44.1530 175.5369 9 A 5.0219 9.0880 128.1174 50.4137 20.3323 176.2868 10 H 4.6683 9.1035 118.5441 55.8951 29.9226 175.7945 11 G 4.0385 8.1668 106.5441 45.0344 0.0000 172.3041 12 F 4.6080 8.7963 122.1908 59.5702 39.2904 175.8392 13 E 3.7221 9.1901 126.9648 56.8726 28.6040 175.9705 14 S 4.0237 7.6321 113.1275 59.0420 63.5480 175.8317 15 G 3.7864 7.6372 105.5526 44.1848 0.0000 172.1675 16 P 4.4283 0.0000 0.0000 64.6587 31.4438 176.8134 17 D 4.7068 7.8384 117.3331 53.9399 41.3646 176.7714 18 A 4.0764 7.6915 122.5210 51.9622 20.1770 178.4025 19 L 3.8612 8.5814 124.4973 58.5939 42.0653 180.0555 20 K 3.9808 7.9142 117.3478 59.5328 32.2818 179.7614 21 V 3.6429 7.7297 112.0812 64.4415 31.4049 178.6196 22 T 3.8409 8.0265 115.5655 66.5440 68.3173 176.3816 23 A 3.9844 7.9348 122.6209 55.2639 18.3047 179.7429 24 L 3.9114 7.9580 117.2545 57.7244 41.4910 179.5844 25 A 3.8807 8.1208 120.8805 55.0223 18.2190 179.5358 26 E 3.8723 8.3527 117.3331 59.4248 29.4990 179.7524 27 V 3.5424 7.9610 118.0431 65.8227 31.5949 177.7594 28 A 3.8713 8.2513 120.7479 55.2018 18.3018 178.9445 29 E 3.9638 8.3522 117.8613 59.8019 29.5178 179.1094 30 R 3.9615 8.0045 117.0167 58.9423 30.2051 177.4809 31 L 4.5386 7.9741 116.2593 54.3756 42.3073 177.0162 32 G 3.9129 8.3678 107.8165 45.6406 0.0000 172.9640 33 W 5.1652 8.4450 118.7457 54.8107 31.5444 176.3119 34 T 4.7080 8.8945 113.2574 61.7805 70.4468 173.0669 35 H 5.5391 8.2964 116.2198 54.8232 31.3887 172.3797 36 E 4.7699 9.1146 116.8197 55.2439 33.4677 174.4190 37 R 5.1054 8.3498 119.8664 52.7005 31.5013 173.6810 38 P 4.2645 0.0000 0.0000 62.1595 32.5559 175.3796 39 D 4.6528 8.1234 121.3354 53.1076 42.0788 175.9882 40 F 5.0102 8.8034 124.0923 57.5281 40.0418 177.5770 41 T 4.0136 8.8145 115.5849 64.6364 68.6553 176.2637 42 D 4.3633 8.0871 121.7536 56.4710 39.4639 178.4618 43 L 3.9852 7.9708 120.2280 57.5618 41.5165 179.0955 44 D 4.6370 8.2016 117.5734 57.1609 40.8220 178.1692 45 A 4.2853 7.7496 119.1668 53.1472 19.8196 178.6453 46 R 4.3400 7.1501 116.8012 54.9463 28.7512 177.1467 47 R 4.1478 8.0397 122.3074 58.7278 30.8321 178.2355 48 D 4.4254 8.1912 116.4703 55.5852 39.3593 176.8398 49 L 4.4172 9.4518 118.0136 53.7364 42.1560 175.8359 50 G 4.3159 7.1805 108.7777 43.6648 0.0000 175.2659 51 Q 4.1111 8.1363 118.2101 56.8885 28.1939 174.9732 52 L 3.5050 7.5564 114.9121 54.3714 42.5747 178.4219 53 G 3.9146 7.6684 108.1273 46.2964 0.0000 175.5378 54 D 4.6290 8.3675 114.1215 53.0695 38.5208 177.7754 55 V 3.5898 7.6643 123.1405 65.5421 32.0178 177.1507 56 R 4.0417 8.0619 117.6953 59.0840 29.9172 179.0479 57 G 3.6377 8.3765 105.5797 47.7221 0.0000 175.7720 58 R 3.9938 8.1350 120.6104 59.1333 30.1049 178.9159 59 L 3.9522 8.1005 118.7093 57.9853 41.6755 179.5395 60 Q 3.9672 8.2742 119.3069 59.1156 29.0312 178.1142 61 R 3.9489 8.4948 120.2088 59.4691 30.1369 178.2564 62 L 4.1291 8.3285 120.2043 57.9458 42.0400 178.4043 63 L 3.9672 8.1250 120.4168 58.4890 42.0114 178.9870 64 E 4.0208 8.2911 118.2319 59.4447 29.2573 179.4684 65 I 3.7460 7.9368 119.6877 64.3222 37.2276 178.3738 66 A 4.0750 8.5045 122.0849 55.1749 17.9743 179.8551 67 R 3.8835 8.2668 115.8829 59.4709 30.2580 178.8868 68 A 4.0978 8.0121 119.0187 54.7981 18.7374 178.8986 69 A 4.2489 7.7788 119.3222 54.4207 18.9360 179.3513 70 T 4.1515 7.7633 109.3261 64.6196 68.6130 175.5576 71 E 4.2369 7.4030 116.4086 56.3842 29.6618 182.2350 *75 V 4.2638 7.5863 118.6562 62.5852 33.4976 174.1167 76 V 4.7179 8.9235 123.0668 61.7988 33.2237 174.3469 77 L 5.2339 8.6569 128.0207 53.2907 43.7639 175.5826 78 A 5.6836 8.3640 124.3451 49.7629 23.2888 174.6425 79 G 4.2063 8.0340 104.7994 45.9210 0.0000 172.4586 80 S 4.5756 7.8836 113.3909 56.7491 65.9113 173.6655 81 S 4.3171 9.0383 120.9668 57.9517 62.7242 173.3590 82 L 4.0180 9.1551 119.2089 58.3107 41.3754 177.6338 83 G 3.9171 8.1031 106.7166 47.2864 0.0000 175.9127 84 S 4.0521 7.7381 116.9632 61.4331 62.8945 175.8292 85 Y 3.8397 7.8645 122.3961 60.6960 38.4566 178.3501 86 I 3.5591 7.7640 113.5254 63.5493 37.7659 177.9045 87 A 3.9168 8.0490 122.3865 54.8901 17.7619 179.3449 88 A 3.8710 7.8818 119.0557 55.5497 18.5850 179.8689 89 Q 3.8142 7.7449 116.4444 59.1460 28.7602 179.4058 90 V 3.6529 8.1233 119.7743 65.7033 31.2882 178.0495 91 S 4.7377 7.7427 114.8185 60.7650 62.6630 176.2665 92 L 4.1695 7.7456 120.7455 56.5224 41.4322 177.4738 93 Q 4.6239 8.3101 115.9027 55.5753 30.4799 175.8855 94 V 4.5069 7.3599 109.7123 58.4300 35.6239 173.1530 95 P 4.2569 0.0000 0.0000 63.4066 31.6655 176.0463 96 T 4.7775 8.3559 119.8855 61.5934 71.0319 174.8930 97 R 4.1461 9.2127 128.1804 59.3790 30.9520 175.8719 98 A 4.7193 7.5713 117.6156 51.3149 22.8549 174.9643 99 L 5.3461 8.8403 118.7364 52.9689 45.7913 175.8783 100 F 5.3295 9.2158 124.9610 56.7940 42.2686 173.6886 101 L 4.6054 8.1735 126.9522 52.1319 45.6976 176.1823 *103 V 4.2993 7.7130 109.0075 61.2583 31.5924 174.0818 104 P 4.6233 0.0000 0.0000 61.3478 32.6588 175.4017 105 P 4.3456 0.0000 0.0000 62.8446 32.1748 176.3362 106 T 3.9981 8.2283 109.7866 62.2871 69.7372 173.8681 107 K 4.9520 7.4064 119.9311 54.6330 36.5281 176.5424 *109 G 3.9656 7.9239 108.0777 45.4202 0.0000 173.9885 110 P 4.1862 0.0000 0.0000 63.6282 31.4571 176.3885 111 L 4.4033 6.9795 119.2172 53.0707 42.5681 174.7642 112 P 4.3308 0.0000 0.0000 62.7493 31.7559 176.5421 113 A 4.3114 8.4316 122.9260 51.7346 19.2611 177.0397 114 L 3.9449 8.2991 121.7348 56.2298 42.4366 175.9230 115 D 5.1929 8.4403 123.4058 53.9982 44.6073 173.3234 116 A 4.7613 8.4810 121.1758 51.7706 21.7438 176.0157 117 A 4.1977 8.5032 123.2087 51.9815 19.2637 178.9666 118 A 4.3407 8.1244 123.4901 51.2793 16.6402 176.7236 119 V 4.5916 7.1602 114.2316 57.6132 36.4920 173.9847 120 P 4.4379 0.0000 0.0000 63.2137 32.3758 175.7440 121 I 5.0793 8.4747 124.2796 59.5293 41.0509 174.1341 122 S 5.1891 9.2687 121.4671 56.5353 65.3628 172.5933 123 I 4.8031 8.7461 127.2395 59.3377 40.7470 174.4805 124 V 4.6653 8.1669 126.2719 61.4318 33.2197 174.1321 125 H 4.9178 9.2639 127.1892 54.1890 34.1948 171.5371 126 A 4.9581 7.5610 123.2097 49.8389 20.3205 177.9763 127 W 4.4251 9.0404 124.0830 59.9258 29.2670 176.9344 128 H 4.9170 8.1318 113.7230 55.3506 28.4180 174.4674 129 D 4.4571 7.9655 120.2892 54.8468 40.9736 176.6562 130 E 4.3399 8.8172 125.9417 57.5454 30.1051 177.2359 131 L 4.3756 8.3218 118.0613 55.0730 43.0624 176.3918 132 I 4.4012 7.6107 117.2705 58.2709 38.9965 172.7163 133 P 4.2729 0.0000 0.0000 62.6315 31.9777 177.5465 134 A 3.9934 9.0618 124.1844 55.5666 18.1760 179.6749 135 A 3.9751 8.1811 118.4346 55.4877 18.3076 179.5189 136 D 4.3004 8.1690 117.5575 57.5394 40.8229 179.1216 137 V 3.5961 7.5808 118.3047 65.7447 31.5151 177.7922 138 I 3.6575 8.0133 119.7499 64.5085 37.0969 178.2336 139 A 4.0053 8.2109 121.4285 54.8056 17.8669 179.4451 140 W 3.9752 8.3167 126.7107 60.6330 30.8281 178.1086 141 A 3.9696 8.6422 121.1509 55.1808 17.7676 179.3327 142 Q 3.8718 8.5112 118.2961 59.2998 28.9094 178.4074 143 A 4.1135 7.7653 120.5944 53.7448 18.3329 178.1294 144 R 4.3294 6.7254 111.5576 54.8752 29.9684 175.6246 145 S 3.6150 7.6620 111.7028 59.6504 61.1103 172.5076 146 A 4.2241 7.6931 120.1990 51.5846 19.3301 178.6993 147 R 4.0184 8.6078 122.0438 56.4521 31.3010 175.2139 148 L 5.1268 8.4704 127.5258 53.1864 45.1852 174.7695 149 L 4.6560 8.9735 128.6667 53.2457 44.4722 174.6345 150 L 4.7612 8.3361 126.1670 53.0556 43.1957 176.2422 151 V 4.3874 8.0335 116.7622 59.3878 35.3755 175.0197 152 D 4.8248 8.7108 123.2163 53.5415 39.8532 174.1175 153 D 4.5376 8.2159 123.0657 53.7488 45.6043 172.9923 154 G 4.6281 8.1652 108.7761 44.0191 0.0000 173.3246 155 H 4.3084 8.7107 117.1135 58.6607 29.8390 177.2150 156 R 4.0370 7.9664 116.0604 56.4462 30.4731 176.1119 157 L 3.8460 8.1692 117.6184 55.3806 39.7731 177.0920 158 G 3.5564 8.4578 108.7742 48.1059 0.0000 174.9687 159 A 4.5898 8.3064 120.3205 52.3105 19.4430 176.4440 160 H 4.9520 8.1855 114.4245 55.1096 30.4037 176.3932 161 V 3.6207 8.0727 121.0499 66.0269 31.3623 176.6067 162 Q 3.9307 8.0379 118.7005 59.1678 29.0690 177.8526 163 A 4.0239 8.0387 121.1279 55.1159 18.4678 179.3476 164 A 4.1517 8.3093 119.3655 55.3647 18.4009 179.9444 165 S 4.1012 8.5716 114.1422 61.9699 62.8560 177.2698 166 R 3.8936 8.4330 120.7766 59.1491 29.8072 179.0007 167 A 4.0258 8.1902 120.6537 54.9880 18.3049 179.4874 168 F 3.2978 8.0675 118.9031 61.0795 39.2990 177.0804 169 A 3.6121 8.0383 120.7078 55.1519 17.9002 179.2327 170 E 3.7970 8.0625 116.8076 59.0788 29.9887 178.4693 171 L 4.0365 7.7546 120.3241 58.2537 42.3339 178.9653 172 L 3.5378 7.4743 119.0185 57.7819 41.2214 179.5600 173 Q 4.2038 8.1424 116.9681 58.0861 28.6812 178.0259 174 S 4.4353 7.7062 114.1021 59.5873 63.5904 174.1234 175 L 4.2680 7.7054 126.7013 55.0154 41.5245 176.3597 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 4.43 0.00 4.02 3.90 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 0.00 0.00 0.00 0.00 3 R 8.13 3.38 0.00 0.67 0.74 0.00 3.16 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 4 G 5.82 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 5 H 8.71 5.57 0.00 3.30 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 9.18 5.37 0.00 2.98 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 7 I 8.70 4.83 1.94 0.00 0.00 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 1.44 0.75 0.99 0.00 0.00 8 L 9.06 5.01 0.00 1.56 1.53 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.09 5.02 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 10 H 9.10 4.67 0.00 3.19 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.17 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 12 F 8.80 4.61 0.00 2.85 3.04 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 13 E 9.19 3.72 0.00 1.80 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 1.47 1.47 0.00 14 S 7.63 4.02 0.00 3.94 3.99 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 15 G 7.64 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 16 P 0.00 4.43 0.00 2.18 2.41 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 17 D 7.84 4.71 0.00 2.66 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 18 A 7.69 4.08 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 19 L 8.58 3.86 0.00 1.76 1.70 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.91 3.98 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.51 7.81 21 V 7.73 3.64 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 0.89 0.00 0.00 1.00 0.00 0.00 22 T 8.03 3.84 4.43 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 1.20 0.00 0.00 23 A 7.93 3.98 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 24 L 7.96 3.91 0.00 1.63 1.10 0.39 0.54 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 25 A 8.12 3.88 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 26 E 8.35 3.87 0.00 2.19 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 2.42 0.00 27 V 7.96 3.54 2.40 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 0.87 0.00 0.00 0.98 0.00 0.00 28 A 8.25 3.87 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.35 3.96 0.00 2.20 2.15 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 2.36 2.44 0.00 30 R 8.00 3.96 0.00 2.03 2.09 0.00 3.31 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 31 L 7.97 4.54 0.00 1.88 1.90 0.77 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.37 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.45 5.17 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 34 T 8.89 4.71 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 1.25 0.00 0.00 35 H 8.30 5.54 0.00 3.15 3.36 0.00 5.70 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 36 E 9.11 4.77 0.00 2.05 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 0.00 2.25 2.33 0.00 37 R 8.35 5.11 0.00 1.69 1.92 0.00 3.54 0.00 0.00 2.25 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 38 P 0.00 4.26 0.00 0.99 1.61 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 39 D 8.12 4.65 0.00 2.54 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.80 5.01 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.81 4.01 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 1.19 0.00 0.00 42 D 8.09 4.36 0.00 2.92 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 43 L 7.97 3.99 0.00 2.01 1.85 1.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.20 4.64 0.00 2.79 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 45 A 7.75 4.29 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 46 R 7.15 4.34 0.00 2.07 2.05 0.00 3.32 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 47 R 8.04 4.15 0.00 1.98 1.95 0.00 3.30 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.19 0.00 48 D 8.19 4.43 0.00 2.83 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 49 L 9.45 4.42 0.00 1.77 1.73 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.18 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.26 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 2.30 1.89 0.00 131 L 8.32 4.38 0.00 1.47 1.54 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 132 I 7.61 4.40 1.95 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 1.35 0.52 0.88 0.00 0.00 133 P 0.00 4.27 0.00 2.19 2.02 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 134 A 9.06 3.99 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 0.00 135 A 8.18 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.17 4.30 0.00 2.82 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 0.00 137 V 7.58 3.60 1.74 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 1.01 0.00 0.00 0.61 0.00 0.00 138 I 8.01 3.66 2.04 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 1.39 0.56 0.94 0.00 0.00 139 A 8.21 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 W 8.32 3.98 0.00 3.50 3.31 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 0.00 141 A 8.64 3.97 1.45 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 0.00 0.00 142 Q 8.51 3.87 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 143 A 7.77 4.11 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 0.00 144 R 6.73 4.33 0.00 1.49 1.62 0.00 2.21 0.00 0.00 2.78 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.17 0.00 145 S 7.66 3.62 0.00 3.91 3.91 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 0.00 0.00 0.00 146 A 7.69 4.22 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 0.00 147 R 8.61 4.02 0.00 1.97 2.00 0.00 3.07 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 148 L 8.47 5.13 0.00 1.61 1.45 0.83 0.87 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 0.00 149 L 8.97 4.66 0.00 1.76 1.46 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.34 4.76 0.00 0.86 0.13 0.33 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.03 4.39 1.74 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 0.65 0.00 0.00 0.79 0.00 0.00 152 D 8.71 4.82 0.00 2.83 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 0.00 153 D 8.22 4.54 0.00 2.69 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.17 4.63 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 0.00 0.00 0.00 155 H 8.71 4.31 0.00 3.22 3.38 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.97 4.04 0.00 1.85 1.97 0.00 3.43 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 157 L 8.17 3.85 0.00 1.85 1.73 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.46 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 0.00 159 A 8.31 4.59 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 0.00 160 H 8.19 4.95 0.00 3.24 3.29 0.00 5.82 0.00 0.00 0.00 0.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.07 3.62 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 1.03 0.00 0.00 0.98 0.00 0.00 162 Q 8.04 3.93 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 163 A 8.04 4.02 1.45 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 0.00 0.00 164 A 8.31 4.15 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 0.00 165 S 8.57 4.10 0.00 4.05 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 0.00 166 R 8.43 3.89 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 167 A 8.19 4.03 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 0.00 168 F 8.07 3.30 0.00 1.93 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 0.00 169 A 8.04 3.61 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 0.00 170 E 8.06 3.80 0.00 2.02 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 2.31 2.30 0.00 171 L 7.75 4.04 0.00 1.83 1.59 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 172 L 7.47 3.54 0.00 1.28 1.03 -0.49 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 8.14 4.20 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 174 S 7.71 4.44 0.00 4.06 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 0.00 175 L 7.71 4.27 0.00 2.10 1.79 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.