NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.1543 8.4444 116.7539 53.6981 32.2624 171.7568 12 K 3.6699 8.0869 127.5664 54.6678 32.8972 172.8451 13 L 4.2258 9.1941 130.0615 54.3370 43.6954 176.0896 14 L 4.3811 8.3117 126.4341 53.8836 40.5295 175.5998 15 T 4.7183 7.9932 116.4368 59.8405 70.6751 173.2676 16 V 4.3391 8.1883 125.1407 61.0281 34.5922 174.3372 17 D 4.6571 8.5109 126.5053 52.6978 41.1886 176.1049 18 T 2.9275 8.1238 115.6242 62.1649 68.6701 175.0972 19 T 4.4264 7.9515 111.2082 61.8886 69.6893 174.9059 20 A 4.3475 7.7870 124.3592 53.3583 19.1538 176.5356 21 H 4.9970 7.8001 111.3113 53.5907 32.9355 171.4035 22 P 4.8092 0.0000 0.0000 62.2858 32.2032 176.1720 23 F 4.4979 8.8383 118.1025 57.5237 40.1002 174.9765 24 L 4.4252 8.8772 122.2077 54.7009 42.3533 176.7693 25 K 4.6518 9.2580 124.1636 56.6404 33.2164 177.1254 26 A 3.9136 8.8635 124.2996 52.2856 16.3106 175.7520 27 L 2.0000 8.1950 122.5262 55.5622 42.8435 177.4485 28 G 3.7942 7.2420 113.5365 46.4055 0.0000 174.1604 29 G 3.8750 8.1353 105.7190 45.6351 0.0000 174.9893 30 H 4.6009 8.0965 118.5270 54.1448 27.4738 174.2050 31 E 4.0270 8.4966 123.3079 58.2507 30.0260 178.1961 32 G 3.9378 9.2185 110.6722 45.0854 0.0000 172.4877 33 T 4.5943 7.6718 116.1927 62.0724 70.2393 172.8292 34 D 5.4999 8.5927 127.0342 52.3734 43.8871 175.8614 35 I 5.1613 8.8091 114.6383 59.1782 41.7685 173.9895 36 F 4.6033 8.8592 125.5483 55.4747 41.1808 172.8978 37 P 4.4004 0.0000 0.0000 62.6306 32.3001 174.8533 38 L 4.6543 8.5189 118.3307 55.9114 43.7956 176.2263 39 F 5.6499 7.9522 116.1518 55.4419 42.8886 174.0411 *41 D 4.2685 8.1959 120.2765 53.2774 40.5164 173.5929 42 P 4.0893 0.0000 0.0000 64.4091 31.6664 177.3563 43 Y 4.4420 7.5150 114.4139 59.2494 38.3409 175.7769 44 N 4.7094 8.2857 114.5272 52.1492 39.9029 174.4874 45 G 3.7931 7.8928 106.3648 46.4507 0.0000 171.8001 46 L 5.5655 7.9179 117.8955 51.9332 46.3712 174.7643 *48 V 4.2800 7.8004 118.4575 62.7921 33.0401 174.2112 *50 R 4.6969 8.2899 123.4353 56.1440 31.9030 174.2552 51 A 5.2041 9.1395 123.6857 50.1959 23.1878 174.8501 52 S 4.9801 8.9999 115.2588 56.5404 65.5522 172.6346 53 F 5.5461 9.1864 126.1377 55.5154 41.4740 175.5029 54 A 4.9186 8.6754 125.0378 50.4675 19.2235 175.5226 55 P 4.2832 0.0000 0.0000 63.0685 32.3735 176.5591 56 G 3.8374 8.2174 109.3804 46.9022 0.0000 173.4975 57 L 4.8084 8.2760 118.7827 53.1787 44.7316 176.6469 58 T 4.8419 8.1721 117.3111 62.1140 71.5041 173.8647 59 L 4.3962 8.7242 127.3808 53.2799 43.1078 175.1885 60 P 4.5645 0.0000 0.0000 61.9327 32.6728 176.6998 61 L 4.2782 8.4605 121.6429 55.4773 42.9102 175.8142 62 H 5.1785 9.1981 121.7122 53.7977 31.7234 172.9447 63 F 4.7545 9.2515 127.1922 58.1275 40.7076 173.4458 64 H 5.2489 8.2221 126.2578 54.7486 31.8713 174.6893 65 T 3.9178 8.8098 116.2871 63.7706 70.6966 174.7303 66 G 4.5977 7.3513 108.7223 43.3152 0.0000 172.8599 67 T 4.6096 8.3097 109.1133 61.5000 70.5923 173.7928 68 V 4.8161 8.3983 122.3268 61.5804 34.9957 174.0581 69 H 5.3685 8.8355 123.0264 54.0886 33.3936 171.7893 *71 Y 5.0225 8.1760 120.3372 58.1521 40.3654 173.6326 72 T 4.6587 8.2300 123.7469 62.7049 69.3432 175.5853 73 I 4.0566 9.0083 128.8784 63.8027 38.6281 176.1167 74 S 4.3782 8.0135 114.2177 57.9555 66.1468 174.2767 75 G 4.0766 10.4648 105.9052 45.3927 0.0000 171.8652 76 C 5.1773 8.5783 120.4268 58.3876 35.1969 174.2177 77 W 5.4518 8.7350 122.5575 55.6201 31.9644 172.9373 78 Y 4.6094 8.1683 116.8487 56.0028 41.2437 173.2318 79 Y 5.1313 8.4245 118.3721 57.5492 39.1680 176.7895 80 T 3.9994 8.7265 121.0126 66.7222 68.7138 174.9502 81 E 4.2114 8.1593 115.8157 56.8764 30.9671 176.0913 82 Y 4.8255 8.1196 117.5942 56.4595 38.8421 174.3168 83 P 4.3032 0.0000 0.0000 65.1593 32.2123 178.2560 84 G 3.8587 8.0036 106.1220 46.0078 0.0000 173.7946 85 Q 4.5145 7.6317 117.1645 53.9465 29.0151 175.4405 86 K 4.0633 7.6041 117.5823 56.5282 33.8043 177.7764 87 Q 4.3703 8.5790 123.0729 54.4176 31.0222 175.0846 88 T 5.0678 8.1142 112.3297 58.3614 73.1727 172.3925 89 A 4.1400 8.0534 122.6397 53.6779 18.2741 178.1439 90 G 4.4120 8.7004 111.7212 45.0921 0.0000 173.0922 91 C 4.4725 7.8058 118.5503 59.2794 29.5016 171.9637 92 Y 5.2042 8.6980 124.0249 55.7873 40.7927 174.3341 93 L 4.5227 7.8175 126.6731 53.1729 45.3012 174.4948 94 Y 4.6722 8.4312 126.5957 55.8453 40.9684 174.2397 95 E 4.4249 8.3722 127.2724 53.6408 31.6865 174.2970 96 P 4.4191 0.0000 0.0000 61.8328 32.6267 176.4292 97 G 3.8718 7.7871 107.5028 46.6576 0.0000 174.1093 98 G 3.9807 8.6642 112.3715 45.3311 0.0000 174.7119 99 S 4.5967 7.4321 118.0060 57.7219 64.7269 178.1024 100 I 4.9130 8.0789 118.0744 60.6406 40.1558 173.9169 101 H 5.2727 8.7373 123.7585 53.8561 32.9018 172.1525 102 Q 4.6913 9.0116 119.0767 54.4868 32.0743 173.5100 103 F 4.8155 8.9983 129.4476 58.0973 41.0990 173.7773 104 N 5.3381 7.9306 121.9977 51.4950 43.0113 173.2201 105 T 4.8376 8.5751 112.8907 58.9690 71.5638 171.8302 106 P 4.4582 0.0000 0.0000 62.5887 32.0005 177.6802 107 R 4.0068 8.9723 122.8076 59.2931 30.1354 177.1987 108 D 4.7154 7.9595 114.3599 53.0387 39.8650 176.1554 109 N 4.4195 7.9495 118.1388 54.1758 38.9402 175.0752 110 E 4.2673 8.8301 121.6604 58.3405 30.4753 176.1850 111 G 4.1381 7.4722 103.8774 45.2833 0.0000 172.3536 112 Q 4.6276 8.8058 118.2444 56.2465 30.6231 175.4356 113 T 4.8666 9.1691 119.2035 62.2248 70.8423 173.1870 114 E 5.2585 8.9705 126.8124 54.9645 31.8035 175.8376 115 V 5.2048 9.0442 116.3480 59.8912 36.8968 173.9251 116 I 4.9285 9.1169 123.0396 59.2761 40.1900 174.4693 117 F 5.2843 7.8787 125.6322 54.8747 38.8783 173.5831 *119 L 4.3615 8.4315 120.7275 55.2522 42.3501 176.4485 120 S 4.9510 8.8717 122.2440 58.1670 65.7339 175.0797 121 G 4.2338 9.8106 110.5052 45.9082 0.0000 173.1498 122 C 4.8778 9.2112 119.6756 57.4070 33.8318 172.2318 123 N 5.4517 9.2199 116.4448 51.4816 41.4837 174.0952 124 V 4.3183 8.8758 124.2997 61.6106 33.0568 174.2869 125 N 5.2015 8.4241 125.9934 51.9446 39.6327 175.5032 126 F 4.8425 8.4732 123.7843 57.0018 39.3687 175.2959 *135 L 4.2950 7.9564 116.7768 54.8185 43.2625 177.6698 136 S 4.6633 9.1420 119.1592 56.9196 66.2427 173.0584 137 D 5.1771 8.4741 123.2257 50.3653 42.5270 176.4942 138 A 4.0662 8.7297 120.3485 55.4545 17.8253 180.0317 139 G 3.4184 7.8918 103.3642 47.9680 0.0000 175.9089 140 V 3.5991 8.0300 121.3129 65.7231 31.4690 178.1926 141 I 3.7680 7.7812 119.5685 64.1349 36.8060 178.3804 142 K 3.8743 8.4260 121.0615 59.5267 31.9546 178.6073 143 N 4.3059 8.4805 117.1107 55.9475 38.4367 177.2502 144 W 3.9093 8.2362 129.7513 60.3440 30.7824 177.9904 145 V 3.4894 8.2356 118.5767 66.3941 30.7683 177.7142 146 D 4.2999 8.2074 118.4884 57.3771 40.5343 178.8589 147 R 3.7405 7.6476 118.7203 59.0236 30.0445 178.4252 148 A 3.4104 7.6530 121.0345 54.7200 18.1621 179.4291 149 I 3.4676 7.5866 118.5755 64.6675 37.2101 178.7800 150 R 3.8194 7.5272 118.5081 59.4724 29.7759 179.0673 151 E 3.8975 8.1435 117.2748 59.0300 29.5775 178.1406 152 Q 4.3331 8.4571 115.4417 54.5906 29.0379 174.7960 153 D 4.2489 7.5559 116.4134 54.9693 40.2370 172.9445 154 N 4.6956 8.0497 115.5342 52.3940 39.9994 174.2020 155 G 3.9941 8.5227 114.2661 45.3759 0.0000 173.6012 156 L 3.9659 7.7069 120.3798 54.7536 41.2535 176.2196 157 R 4.6722 8.1694 114.7108 54.5554 32.3266 173.3546 158 Y 5.0490 7.7216 116.4279 55.6718 42.1336 173.7864 159 I 4.4690 8.9949 120.0017 59.8945 39.1529 175.2763 160 A 4.6851 8.2278 126.3485 50.0369 22.4168 174.8380 161 A 4.6155 8.2364 122.1170 50.2952 20.2947 177.3928 162 A 4.3444 8.6165 125.9525 51.0791 19.5592 177.3291 163 V 2.7246 7.6644 119.4970 60.3453 31.9048 174.7771 164 P 4.2716 0.0000 0.0000 63.2513 31.6907 175.1884 165 T 4.5482 7.7548 109.5191 59.9279 72.0018 172.9020 166 Y 4.1326 8.2687 118.7334 57.8692 38.3129 176.4773 167 A 4.1567 8.5181 126.3858 51.8124 19.3505 177.4770 168 A 4.1909 8.4905 123.1175 52.5113 18.4944 177.6172 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 11 E 8.44 4.15 0.00 2.01 1.94 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 2.13 1.88 0.00 12 K 8.09 3.67 0.00 2.22 1.86 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.31 1.06 7.81 13 L 9.19 4.23 0.00 1.63 1.55 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.31 4.38 0.00 1.72 1.69 0.97 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 15 T 7.99 4.72 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 16 V 8.19 4.34 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 0.95 0.00 0.00 1.14 0.00 0.00 17 D 8.51 4.66 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 2.93 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 19 T 7.95 4.43 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 1.22 0.00 0.00 20 A 7.79 4.35 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 21 H 7.80 5.00 0.00 3.38 3.24 0.00 5.70 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 22 P 0.00 4.81 0.00 2.28 2.14 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 23 F 8.84 4.50 0.00 2.81 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 24 L 8.88 4.43 0.00 1.88 1.79 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.26 4.65 0.00 1.75 1.81 0.00 1.91 0.00 0.00 1.98 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.59 7.81 26 A 8.86 3.91 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 27 L 8.19 2.00 0.00 1.11 1.13 -0.34 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.24 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 29 G 8.14 3.87 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 0.00 0.00 0.00 30 H 8.10 4.60 0.00 3.17 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.50 4.03 0.00 1.98 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 2.36 2.31 0.00 32 G 9.22 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 33 T 7.67 4.59 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 1.06 0.00 0.00 34 D 8.59 5.50 0.00 2.60 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 35 I 8.81 5.16 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.34 0.80 0.00 0.00 36 F 8.86 4.60 0.00 1.51 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 37 P 0.00 4.40 0.00 1.57 1.61 0.00 3.15 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.46 0.00 38 L 8.52 4.65 0.00 1.90 1.75 0.87 0.84 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 39 F 7.95 5.65 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 D 8.20 4.27 0.00 2.74 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 42 P 0.00 4.09 0.00 0.94 1.73 0.00 3.36 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 43 Y 7.51 4.44 0.00 3.06 3.03 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 44 N 8.29 4.71 0.00 3.01 2.93 0.00 0.00 6.97 7.64 0.00 0.00 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 G 7.89 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 46 L 7.92 5.57 0.00 1.64 1.70 1.01 0.98 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 *48 V 7.80 4.28 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 1.22 0.00 0.00 0.94 0.00 0.00 *50 R 8.29 4.70 0.00 1.73 2.01 0.00 3.18 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.64 0.00 51 A 9.14 5.20 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 52 S 9.00 4.98 0.00 3.43 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 53 F 9.19 5.55 0.00 3.09 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 54 A 8.68 4.92 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 55 P 0.00 4.28 0.00 1.99 2.15 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.34 0.00 56 G 8.22 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 57 L 8.28 4.81 0.00 1.66 1.65 1.16 0.77 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 58 T 8.17 4.84 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 59 L 8.72 4.40 0.00 1.54 1.57 0.70 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.56 0.00 1.89 1.95 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 61 L 8.46 4.28 0.00 1.84 1.67 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.20 5.18 0.00 2.89 3.08 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.25 4.75 0.00 3.31 3.34 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 0.00 64 H 8.22 5.25 0.00 3.09 2.90 0.00 5.82 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.81 3.92 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 1.45 0.00 0.00 66 G 7.35 4.60 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 0.00 0.00 0.00 67 T 8.31 4.61 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 1.28 0.00 0.00 68 V 8.40 4.82 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 1.06 0.00 0.00 0.88 0.00 0.00 69 H 8.84 5.37 0.00 3.29 3.48 0.00 5.70 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 *71 Y 8.18 5.02 0.00 3.35 3.07 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 0.00 72 T 8.23 4.66 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 1.33 0.00 0.00 73 I 9.01 4.06 2.00 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 1.64 1.41 1.04 0.00 0.00 74 S 8.01 4.38 0.00 3.88 3.96 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 75 G 10.46 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 0.00 0.00 0.00 76 C 8.58 5.18 0.00 2.94 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 77 W 8.74 5.45 0.00 2.57 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 78 Y 8.17 4.61 0.00 2.86 2.78 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 79 Y 8.42 5.13 0.00 3.19 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 80 T 8.73 4.00 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 1.25 0.00 0.00 81 E 8.16 4.21 0.00 1.63 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 0.00 2.24 2.17 0.00 82 Y 8.12 4.83 0.00 3.08 2.90 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 83 P 0.00 4.30 0.00 2.02 2.14 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 84 G 8.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.63 4.51 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 86 K 7.60 4.06 0.00 1.48 1.56 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.55 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.20 1.41 7.81 87 Q 8.58 4.37 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 88 T 8.11 5.07 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 1.16 0.00 0.00 89 A 8.05 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 90 G 8.70 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 7.81 4.47 0.00 2.86 2.90 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 92 Y 8.70 5.20 0.00 3.20 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 93 L 7.82 4.52 0.00 1.67 1.42 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.43 4.67 0.00 3.03 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 95 E 8.37 4.42 0.00 1.75 1.66 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 2.11 2.20 0.00 96 P 0.00 4.42 0.00 2.06 2.15 0.00 3.59 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 97 G 7.79 3.87 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 0.00 0.00 0.00 98 G 8.66 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 0.00 0.00 0.00 99 S 7.43 4.60 0.00 3.43 3.76 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 I 8.08 4.91 2.03 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 1.41 1.56 0.92 0.00 0.00 101 H 8.74 5.27 0.00 2.06 2.69 0.00 5.27 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 9.01 4.69 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 103 F 9.00 4.82 0.00 3.01 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 0.00 104 N 7.93 5.34 0.00 1.44 2.00 0.00 0.00 6.35 7.20 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 0.00 105 T 8.58 4.84 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 1.34 0.00 0.00 106 P 0.00 4.46 0.00 2.36 2.07 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 107 R 8.97 4.01 0.00 1.82 2.04 0.00 3.22 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 108 D 7.96 4.72 0.00 2.76 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 0.00 109 N 7.95 4.42 0.00 2.85 3.00 0.00 0.00 6.93 7.05 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 0.00 110 E 8.83 4.27 0.00 1.97 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 2.31 2.31 0.00 111 G 7.47 4.14 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 0.00 0.00 0.00 112 Q 8.81 4.63 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 113 T 9.17 4.87 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 114 E 8.97 5.26 0.00 1.99 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 2.29 2.44 0.00 115 V 9.04 5.20 2.43 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 0.94 0.00 0.00 1.30 0.00 0.00 116 I 9.12 4.93 2.00 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 1.33 0.87 1.15 0.00 0.00 117 F 7.88 5.28 0.00 3.37 3.03 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 *119 L 8.43 4.36 0.00 2.09 1.85 0.65 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.87 4.95 0.00 4.07 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.81 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 0.00 122 C 9.21 4.88 0.00 3.10 3.03 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 0.00 123 N 9.22 5.45 0.00 2.59 2.64 0.00 0.00 7.01 7.45 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 0.00 124 V 8.88 4.32 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 0.53 0.00 0.00 1.02 0.00 0.00 125 N 8.42 5.20 0.00 2.53 2.72 0.00 0.00 6.95 7.45 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 0.00 126 F 8.47 4.84 0.00 2.91 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 *135 L 7.96 4.30 0.00 1.50 1.62 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 136 S 9.14 4.66 0.00 3.62 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.47 5.18 0.00 2.84 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 0.00 138 A 8.73 4.07 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 0.00 139 G 7.89 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 0.00 0.00 0.00 140 V 8.03 3.60 2.17 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 1.02 0.00 0.00 0.94 0.00 0.00 141 I 7.78 3.77 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.80 0.88 0.00 0.00 142 K 8.43 3.87 0.00 1.84 1.92 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.51 7.81 143 N 8.48 4.31 0.00 2.95 2.87 0.00 0.00 6.67 8.51 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 0.00 144 W 8.24 3.91 0.00 3.39 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 0.00 145 V 8.24 3.49 2.07 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 0.69 0.00 0.00 1.04 0.00 0.00 146 D 8.21 4.30 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.65 3.74 0.00 1.78 1.84 0.00 3.02 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 148 A 7.65 3.41 0.07 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 0.00 0.00 0.00 149 I 7.59 3.47 1.94 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 1.38 0.81 0.92 0.00 0.00 150 R 7.53 3.82 0.00 1.84 1.89 0.00 3.13 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 1.58 1.59 0.00 151 E 8.14 3.90 0.00 1.83 1.92 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 2.26 2.22 0.00 152 Q 8.46 4.33 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 153 D 7.56 4.25 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 4.70 0.00 2.66 2.58 0.00 0.00 6.94 7.37 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 0.00 155 G 8.52 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 0.00 0.00 0.00 156 L 7.71 3.97 0.00 1.62 1.58 0.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.17 4.67 0.00 1.80 1.81 0.00 2.95 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 158 Y 7.72 5.05 0.00 3.15 3.07 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 0.00 159 I 8.99 4.47 2.18 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.38 1.07 0.00 0.00 160 A 8.23 4.69 1.08 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 0.00 0.00 161 A 8.24 4.62 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 0.00 162 A 8.62 4.34 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 0.00 163 V 7.66 2.72 0.98 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 0.52 0.00 0.00 0.41 0.00 0.00 164 P 0.00 4.27 0.00 1.94 1.97 0.00 3.38 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 165 T 7.75 4.55 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 166 Y 8.27 4.13 0.00 2.98 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 0.00 167 A 8.52 4.16 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 0.00 168 A 8.49 4.19 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 * Residues marked with a * may have inaccurate shift predictions.