NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3975 8.3344 115.4099 57.9954 64.0460 172.7029 5 V 3.9976 8.3128 126.1584 61.8938 32.4284 171.7600 6 E 4.8102 9.8957 127.8511 54.5489 33.2725 174.2716 7 L 5.3711 8.4422 123.7243 53.3680 44.1938 175.6914 8 R 4.6498 8.4242 117.2512 55.1087 33.2608 173.7972 9 D 4.8929 8.7237 119.6179 54.4569 41.4297 176.4288 10 A 4.5826 9.1869 125.1718 51.9865 19.5361 176.8593 11 T 4.5590 9.3535 110.7664 59.1781 71.7434 175.6815 12 V 3.1987 7.9720 113.9286 64.1424 31.5456 178.3685 13 D 4.3739 7.6396 118.0736 56.3361 40.9271 177.3468 14 D 4.5941 7.9228 118.2924 54.6925 40.8489 178.1173 15 L 3.8724 7.2271 120.5623 57.9112 41.7046 179.2316 16 S 4.3156 7.9649 112.7032 61.0544 63.1282 176.3990 17 G 3.7541 7.9040 109.1417 47.5012 0.0000 176.6369 18 I 3.5071 7.6312 120.9139 61.1667 36.9365 177.8813 *20 E 4.2621 8.2052 120.3235 56.5248 31.7834 178.0325 21 I 3.6619 7.6042 120.2069 64.2201 37.1414 177.6329 22 Y 3.6368 8.1741 120.6366 60.8565 38.6062 178.0304 23 N 4.3536 8.2005 116.8102 56.1395 38.5849 176.7519 24 D 4.2627 8.1817 119.3474 57.3805 41.3785 178.2322 25 A 4.0377 7.8642 121.1216 55.0741 18.0982 179.7744 26 V 3.4312 7.3301 116.1210 66.0025 31.6388 178.0941 27 V 3.8711 7.6712 116.9158 64.9614 31.6633 176.0592 28 N 4.7634 8.5390 114.6815 53.3315 39.9549 173.2867 29 T 4.8673 7.9863 106.7406 60.7620 71.6701 173.6138 30 T 4.6503 8.4792 108.1722 61.5558 68.9019 175.4614 31 A 4.1658 8.3434 127.4462 54.6132 18.5815 178.7255 32 I 4.5964 7.6776 115.8189 59.6447 40.3656 176.6780 33 W 4.6781 8.5591 128.5719 53.5681 27.4650 173.8329 34 N 4.3676 6.9706 116.1030 53.0930 39.2270 174.9501 35 E 4.5615 8.6827 114.1677 55.8981 30.8577 176.2110 36 V 3.9775 8.3330 114.2396 60.5133 31.8856 176.8207 37 V 4.1600 8.2199 118.4377 61.0507 32.3966 175.9005 38 V 4.4369 9.0372 115.3950 59.4639 34.5121 175.7483 39 D 4.8818 8.0511 122.2307 51.2980 43.1629 176.7808 40 L 3.8723 8.3267 119.6500 58.5349 41.7715 178.3464 41 E 3.9213 8.1810 118.4569 59.2823 29.6517 178.0214 42 N 4.2905 8.9146 117.4527 56.9763 39.0110 177.0963 43 R 4.1287 8.0620 119.3475 58.9452 30.2196 179.0834 44 K 4.0627 8.6255 118.8515 59.7447 32.0270 179.0879 45 D 4.4179 8.2803 119.0721 56.7449 40.8067 178.3476 46 W 4.2786 8.3277 129.0273 60.6106 30.6966 177.5775 47 F 3.3255 8.8815 120.3614 61.0469 38.8366 176.6395 48 A 3.6980 7.8726 119.6817 55.1311 18.1668 179.2446 49 A 3.7966 8.1128 119.2751 55.4901 18.4162 179.8198 50 R 3.8399 7.5072 116.1660 59.9111 30.1586 179.4285 51 T 3.5552 7.3253 115.0904 66.6830 68.1033 176.9322 52 S 4.0428 7.5673 116.0337 61.1463 62.9163 176.0989 53 R 3.8785 7.4343 118.3887 55.9294 29.9190 177.4658 54 G 3.7965 7.3098 106.9593 45.4305 0.0000 173.5717 55 F 4.7767 7.6868 118.7393 56.1845 39.3173 173.9470 56 P 4.3446 0.0000 0.0000 62.6712 33.3325 175.5038 57 V 4.5744 8.1670 120.5151 61.5412 33.4915 173.1069 58 I 4.9779 8.8277 127.6972 59.5760 39.7563 175.1065 59 V 5.1118 8.7778 118.1776 59.5840 35.7702 174.3348 60 A 5.0807 9.4896 126.3111 50.5625 21.1982 175.7217 61 I 4.8472 9.2388 125.0243 59.8598 39.6296 174.8347 62 L 4.8242 8.6930 128.9955 53.4675 45.1172 176.1183 63 D 4.6737 9.6285 127.3045 55.6712 38.1875 174.5396 64 G 3.9499 8.5185 102.9641 45.9638 0.0000 173.6609 65 K 4.5806 7.5758 117.5313 53.9285 36.0595 175.9419 66 V 4.1977 8.3339 120.2049 62.8186 31.1156 175.5178 67 A 4.5514 9.5646 130.7839 51.2560 19.4631 176.2880 68 G 4.8737 7.1899 107.3879 46.7242 0.0000 171.1092 69 Y 5.6592 8.4709 117.7943 55.9482 42.0875 173.4675 70 A 5.0596 9.3512 121.0700 51.2249 23.5288 174.8485 71 S 4.8484 9.3859 113.2178 59.2671 66.5884 173.9334 72 Y 5.2662 7.6827 118.0833 56.5312 41.0977 174.3546 73 G 3.6887 8.6495 106.1446 45.6633 0.0000 172.2018 74 D 4.8998 8.8605 120.4831 54.4590 41.6775 175.9663 75 W 4.7081 8.8640 131.7306 58.9930 30.9824 176.7188 76 R 4.3036 7.3631 114.8053 53.8484 33.2639 175.8887 77 A 3.9514 8.1643 122.7662 54.1722 18.8408 178.2324 78 F 4.4838 7.4721 117.1102 56.8803 39.8105 176.4482 79 D 4.5460 9.1066 124.6759 55.7042 39.3530 178.6658 80 G 3.6160 8.3081 108.2859 48.2802 0.0000 173.6587 81 Y 4.6289 8.6268 117.6921 57.9246 38.0511 177.1938 82 R 3.9238 7.7354 122.9683 59.8605 30.1942 176.7343 83 H 4.9586 8.2283 112.0127 56.0354 29.9517 174.4727 84 T 5.2119 8.4728 116.2951 61.9021 70.7125 173.9708 85 R 4.8931 8.9347 123.9708 54.3531 35.0503 173.6355 86 E 5.2792 9.3683 123.1612 54.0954 31.5695 174.8654 87 H 5.5516 8.9040 122.3465 54.6294 31.2768 174.4109 88 S 4.4937 9.5926 114.9202 56.8666 67.3837 173.3958 89 V 4.5849 7.8526 122.7609 61.2503 34.1833 173.9400 90 Y 4.6317 8.9984 125.5318 56.1086 40.9716 174.5423 91 V 4.7349 8.3642 124.1649 60.9071 33.6790 174.7399 92 H 4.3110 9.1081 128.4405 56.2861 30.2254 176.2120 93 K 3.9045 8.9126 123.9691 59.6204 32.3279 177.1562 94 D 4.8666 8.4978 116.4989 53.9653 41.0035 175.9346 95 A 4.8446 8.0741 120.9116 51.8672 19.7658 177.3344 96 R 4.0909 8.0440 117.3487 58.7306 30.7719 177.0765 97 G 3.8454 8.7618 107.2208 46.5886 0.0000 173.7365 98 H 4.7608 7.9898 114.4178 54.8231 29.2796 175.4059 99 G 4.0688 8.1878 106.8259 46.8307 0.0000 176.2520 100 I 3.8712 7.4757 123.7541 63.8954 36.7719 178.3526 101 G 3.7076 8.0944 105.2044 47.9243 0.0000 175.0989 102 K 4.1212 7.9071 120.4098 59.1903 32.6141 178.6999 103 R 4.1697 7.8229 118.5888 59.0107 29.9075 179.2363 104 L 3.9231 8.1038 115.7342 55.7142 41.3041 178.6196 *106 Q 4.2460 8.1058 122.5738 56.0871 31.0348 177.1461 107 A 4.0982 8.0160 119.8341 54.9921 18.3317 179.6498 108 L 4.1290 8.1036 117.5933 58.0753 41.7601 179.6748 109 I 3.7328 7.8316 119.2639 64.6143 36.8484 178.1001 110 D 4.3880 8.0056 118.6385 57.4958 41.0025 178.0538 111 H 4.3228 8.4702 118.6511 59.1953 29.9242 177.1237 112 A 4.3167 8.3109 124.5083 54.6958 17.9715 179.7954 113 G 3.7668 8.2335 103.1993 47.0640 0.0000 175.0867 114 G 4.1960 7.5250 104.8960 43.9983 0.0000 172.9844 115 N 4.9968 7.9749 118.8401 53.0568 39.5649 174.0237 116 D 4.5576 8.3818 111.9163 54.6123 39.8309 172.6357 117 V 4.1963 7.1905 117.0167 61.5487 32.6519 174.7124 118 H 4.7262 9.2783 127.3153 57.4264 31.7517 174.9427 119 V 4.7686 7.5067 117.1789 61.0141 35.0549 173.8869 120 L 5.0135 8.6551 127.6680 53.1585 43.9055 175.4199 121 I 4.7196 8.7141 124.1131 59.2961 40.4467 174.3961 122 A 4.6398 8.4494 126.1749 49.9427 22.2639 174.9072 123 A 4.3706 8.4644 123.2162 50.2681 20.5977 175.0336 124 I 4.3116 8.3077 122.3057 59.7487 40.2040 175.2593 125 E 4.5984 8.9113 127.4326 56.6224 29.8849 177.1405 126 A 4.0823 8.9779 131.0009 55.6651 18.5137 178.1327 127 E 4.2661 8.5598 112.6580 57.7305 30.2965 178.0082 128 N 4.7029 8.3216 119.9125 52.6367 35.9713 174.8435 129 T 3.8602 7.9096 121.4813 66.1821 69.1057 175.4964 130 A 3.9831 7.9784 122.1645 55.2772 18.4563 179.5071 131 S 4.0604 8.3557 111.6461 61.4168 62.3668 176.4167 132 I 3.6830 7.7619 122.6122 64.5038 36.8265 178.6247 133 R 4.2124 8.2893 120.5771 58.5011 29.5882 178.8666 134 L 3.9273 7.9860 120.1355 58.6427 42.1333 178.8650 135 H 4.2722 8.2983 116.0652 58.8031 28.2730 177.7012 136 E 4.4002 8.8521 122.3723 58.8158 29.1512 179.0984 137 S 4.4081 8.2513 112.1812 59.8790 63.0373 174.6700 138 L 4.5979 7.4063 121.8629 54.6214 41.8609 177.3964 139 G 3.9399 8.2308 108.8265 44.8770 0.0000 174.6568 140 F 4.3364 8.2366 119.2199 57.7459 40.0123 174.6390 141 R 4.7496 8.6340 120.8814 53.9598 33.5051 175.6996 142 V 3.7733 8.5110 122.5675 63.6456 31.6803 175.4101 143 V 4.0720 9.0071 127.8793 63.2415 32.9631 175.6265 144 G 3.9158 6.9570 105.8077 46.2478 0.0000 171.2659 145 R 5.0840 8.0681 119.3355 54.3558 32.5258 174.5994 146 F 4.4269 9.6417 126.5073 57.2333 40.4249 174.6022 147 S 4.8706 8.8681 118.6059 57.7132 63.3157 173.4926 148 E 3.9623 10.0617 128.6059 57.5942 27.3912 175.9314 149 V 4.0110 8.0990 109.6504 62.0744 32.4863 176.1861 150 G 4.0021 8.0988 108.3906 44.0052 0.0000 171.4637 151 T 4.7935 7.5067 112.4421 60.3185 70.5471 172.7295 152 K 3.8726 8.6420 126.1313 56.6513 35.3983 174.6239 153 F 3.7009 9.0930 120.4506 58.6186 36.4068 175.8277 154 G 3.7998 8.9104 105.6668 45.9340 0.0000 174.0922 155 R 4.4357 7.4644 114.2785 53.6318 32.6193 174.1107 156 W 5.0518 8.3015 118.7665 56.8925 30.1733 175.7654 157 L 4.9083 9.4486 122.9954 53.1517 45.0897 175.5074 158 D 5.4414 8.8024 121.4126 52.8912 44.1937 175.0937 159 L 5.2151 9.1863 122.9941 53.9176 44.8768 175.1499 160 T 4.9934 9.0764 124.4073 62.6325 70.4878 174.5419 161 C 5.9416 9.1976 124.3135 57.2298 31.7370 172.3730 *163 E 4.5555 8.3681 116.5554 56.4504 31.1265 174.8209 164 L 4.4360 8.3865 122.6793 53.0240 44.9542 175.0322 165 K 4.3656 8.4677 128.4331 55.7772 33.1332 176.4473 166 L 4.2732 8.5588 126.9451 54.8230 41.3716 176.4361 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 4 S 8.33 4.40 0.00 4.00 3.97 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 5 V 8.31 4.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 6 E 9.90 4.81 0.00 1.91 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 2.22 2.40 0.00 7 L 8.44 5.37 0.00 1.53 1.61 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.42 4.65 0.00 1.91 2.01 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 9 D 8.72 4.89 0.00 2.64 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 10 A 9.19 4.58 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 11 T 9.35 4.56 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 1.22 0.00 0.00 12 V 7.97 3.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.89 0.00 0.00 13 D 7.64 4.37 0.00 2.65 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 14 D 7.92 4.59 0.00 2.63 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 15 L 7.23 3.87 0.00 1.54 1.68 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.96 4.32 0.00 3.99 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 17 G 7.90 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 0.00 0.00 0.00 18 I 7.63 3.51 1.71 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 1.10 0.69 -0.37 0.00 0.00 *20 E 8.21 4.26 0.00 2.18 2.25 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 2.47 2.37 0.00 21 I 7.60 3.66 2.17 0.00 0.00 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 1.42 1.15 1.11 0.00 0.00 22 Y 8.17 3.64 0.00 2.84 2.75 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 23 N 8.20 4.35 0.00 2.78 2.86 0.00 0.00 6.70 8.08 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 24 D 8.18 4.26 0.00 2.85 2.80 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 25 A 7.86 4.04 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 26 V 7.33 3.43 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 0.79 0.00 0.00 0.50 0.00 0.00 27 V 7.67 3.87 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 0.90 0.00 0.00 0.97 0.00 0.00 28 N 8.54 4.76 0.00 2.68 2.80 0.00 0.00 7.04 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.99 4.87 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 1.26 0.00 0.00 30 T 8.48 4.65 4.52 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 1.44 0.00 0.00 31 A 8.34 4.17 1.34 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 0.00 0.00 32 I 7.68 4.60 1.79 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 0.89 0.00 0.00 33 W 8.56 4.68 0.00 3.20 3.11 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 34 N 6.97 4.37 0.00 2.77 2.83 0.00 0.00 6.14 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 35 E 8.68 4.56 0.00 1.88 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 2.05 2.17 0.00 36 V 8.33 3.98 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 0.68 0.00 0.00 1.09 0.00 0.00 37 V 8.22 4.16 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 0.71 0.00 0.00 0.94 0.00 0.00 38 V 9.04 4.44 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 0.67 0.00 0.00 0.74 0.00 0.00 39 D 8.05 4.88 0.00 2.90 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 40 L 8.33 3.87 0.00 1.75 1.71 0.88 0.75 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 41 E 8.18 3.92 0.00 2.12 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 2.38 2.44 0.00 42 N 8.91 4.29 0.00 2.72 2.99 0.00 0.00 7.27 7.49 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 43 R 8.06 4.13 0.00 2.02 2.02 0.00 2.75 0.00 0.00 2.62 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 44 K 8.63 4.06 0.00 1.99 1.92 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.74 7.81 45 D 8.28 4.42 0.00 2.78 2.75 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 46 W 8.33 4.28 0.00 3.41 3.41 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 47 F 8.88 3.33 0.00 3.10 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 48 A 7.87 3.70 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 49 A 8.11 3.80 1.34 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 0.00 0.00 50 R 7.51 3.84 0.00 1.46 1.80 0.00 2.30 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.29 0.00 51 T 7.33 3.56 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 0.95 0.00 0.00 52 S 7.57 4.04 0.00 3.85 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 53 R 7.43 3.88 0.00 1.00 0.66 0.00 3.15 0.00 0.00 3.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 54 G 7.31 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 0.00 0.00 0.00 55 F 7.69 4.78 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.34 0.00 1.89 1.49 0.00 2.33 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 57 V 8.17 4.57 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 1.07 0.00 0.00 0.63 0.00 0.00 58 I 8.83 4.98 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 1.01 0.00 0.00 59 V 8.78 5.11 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 1.01 0.00 0.00 1.01 0.00 0.00 60 A 9.49 5.08 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 61 I 9.24 4.85 1.89 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 1.15 1.23 0.96 0.00 0.00 62 L 8.69 4.82 0.00 1.65 1.46 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.63 4.67 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 64 G 8.52 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 0.00 0.00 0.00 65 K 7.58 4.58 0.00 1.92 1.65 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.34 7.81 66 V 8.33 4.20 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 0.91 0.00 0.00 0.95 0.00 0.00 67 A 9.56 4.55 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 68 G 7.19 4.87 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 69 Y 8.47 5.66 0.00 3.38 3.12 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 70 A 9.35 5.06 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 71 S 9.39 4.85 0.00 4.17 4.06 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 72 Y 7.68 5.27 0.00 2.90 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.65 3.69 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 0.00 0.00 0.00 74 D 8.86 4.90 0.00 2.77 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 75 W 8.86 4.71 0.00 3.18 3.26 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 76 R 7.36 4.30 0.00 0.67 1.02 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 77 A 8.16 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.47 4.48 0.00 3.83 3.16 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 0.00 0.00 0.00 79 D 9.11 4.55 0.00 2.97 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 80 G 8.31 3.62 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 0.00 81 Y 8.63 4.63 0.00 3.29 3.21 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 0.00 82 R 7.74 3.92 0.00 1.99 1.78 0.00 3.26 0.00 0.00 3.53 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 83 H 8.23 4.96 0.00 3.21 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.47 5.21 4.76 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 1.25 0.00 0.00 85 R 8.93 4.89 0.00 1.28 1.66 0.00 3.21 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 86 E 9.37 5.28 0.00 2.18 1.89 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 2.18 2.16 0.00 87 H 8.90 5.55 0.00 3.42 3.34 0.00 5.53 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.59 4.49 0.00 3.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.85 4.58 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 0.75 0.00 0.00 0.91 0.00 0.00 90 Y 9.00 4.63 0.00 2.49 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 91 V 8.36 4.73 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 0.82 0.00 0.00 0.94 0.00 0.00 92 H 9.11 4.31 0.00 3.32 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.91 3.90 0.00 1.92 1.96 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.55 7.81 94 D 8.50 4.87 0.00 2.65 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 95 A 8.07 4.84 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 96 R 8.04 4.09 0.00 1.80 1.87 0.00 3.55 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 97 G 8.76 3.85 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 0.00 0.00 0.00 98 H 7.99 4.76 0.00 3.20 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.84 1.97 1.14 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.83 3.73 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.79 0.85 0.00 0.00 110 D 8.01 4.39 0.00 2.86 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 0.00 111 H 8.47 4.32 0.00 3.42 3.65 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.31 4.32 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.23 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 0.00 114 G 7.53 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 0.00 0.00 0.00 115 N 7.97 5.00 0.00 2.97 2.90 0.00 0.00 6.87 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.38 4.56 0.00 2.89 2.79 0.00 0.00 0.00 0.00 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0.00 0.00 133 R 8.29 4.21 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 134 L 7.99 3.93 0.00 1.83 1.79 0.90 0.88 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 0.00 135 H 8.30 4.27 0.00 3.32 3.14 0.00 5.87 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 0.00 136 E 8.85 4.40 0.00 2.18 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 2.37 2.51 0.00 137 S 8.25 4.41 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.41 4.60 0.00 1.97 1.80 0.97 1.02 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 0.00 139 G 8.23 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 0.00 140 F 8.24 4.34 0.00 3.20 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.63 4.75 0.00 1.62 1.78 0.00 3.13 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 142 V 8.51 3.77 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 0.75 0.00 0.00 0.94 0.00 0.00 143 V 9.01 4.07 2.23 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 0.83 0.00 0.00 0.92 0.00 0.00 144 G 6.96 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 0.00 145 R 8.07 5.08 0.00 1.78 1.76 0.00 3.27 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 146 F 9.64 4.43 0.00 3.12 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 0.00 147 S 8.87 4.87 0.00 3.88 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 0.00 148 E 10.06 3.96 0.00 1.44 1.15 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 2.19 2.09 0.00 149 V 8.10 4.01 2.19 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 0.80 0.00 0.00 1.23 0.00 0.00 150 G 8.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.79 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 152 K 8.64 3.87 0.00 1.23 1.00 0.00 1.45 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.62 7.81 153 F 9.09 3.70 0.00 3.18 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 0.00 154 G 8.91 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 0.00 0.00 0.00 155 R 7.46 4.44 0.00 1.93 1.92 0.00 2.80 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 156 W 8.30 5.05 0.00 3.21 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 9.45 4.91 0.00 0.73 1.25 -0.08 1.13 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 0.00 158 D 8.80 5.44 0.00 2.72 2.79 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 0.00 159 L 9.19 5.22 0.00 1.91 1.70 0.33 0.79 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 0.00 160 T 9.08 4.99 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 1.27 0.00 0.00 161 C 9.20 5.94 0.00 3.02 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 *163 E 8.37 4.56 0.00 1.95 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 2.22 2.23 0.00 164 L 8.39 4.44 0.00 0.27 0.43 0.55 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 165 K 8.47 4.37 0.00 1.66 1.56 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.17 7.81 166 L 8.56 4.27 0.00 1.59 1.48 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.