NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3812 8.2549 119.0720 56.0778 30.2942 174.4152 9 R 4.6039 8.3855 122.5098 53.0222 33.4937 173.6137 10 C 4.9014 9.1971 119.7047 58.1108 32.6999 172.6895 11 Q 5.0152 8.7302 121.9704 54.9330 30.1702 174.7056 12 A 4.7265 8.8128 122.9135 50.7801 23.4676 174.6672 13 Q 5.0026 8.5499 117.6234 54.1705 31.2478 175.6282 14 V 4.5444 8.8383 122.9022 61.2265 34.7872 174.3802 15 S 5.4252 8.7962 122.2664 56.7836 66.6333 173.2599 16 R 4.7023 8.9880 122.5437 54.5553 33.3976 173.6914 17 R 5.3098 8.7402 125.8163 54.6757 32.3928 174.5854 18 I 5.0098 8.9142 118.6830 59.4178 41.8305 173.6625 19 S 5.4185 8.6681 115.9648 56.6828 66.1922 173.0106 20 F 5.2683 8.6940 114.5160 55.6613 41.9299 173.1523 21 S 5.2995 9.1703 116.0126 57.1404 64.9366 173.2710 22 A 5.2486 9.0114 125.0064 50.8470 22.6333 175.0128 23 S 5.2884 8.8000 114.4349 57.3570 66.4525 172.6043 24 H 4.7936 8.7653 115.8323 55.1674 32.2763 172.0196 25 R 4.7253 9.2594 118.6157 54.5660 32.8691 174.1001 26 L 4.1173 8.5143 126.3687 53.8184 42.8752 175.4191 27 Y 4.7952 7.8738 122.8686 56.5282 41.8068 173.1165 28 S 4.6175 8.8216 124.1425 56.5249 64.5714 175.6164 29 K 3.9933 8.7699 128.9961 57.2400 31.5888 174.7987 *30 F 4.3010 7.7448 114.6427 59.2296 38.9281 175.9581 31 L 4.5093 7.1097 120.0641 52.9953 43.5027 176.5781 32 S 4.5518 8.3354 117.6884 58.5462 64.9850 175.4782 33 D 4.7844 8.9921 127.8445 59.6366 39.1697 180.6176 34 E 4.2353 8.1152 117.3100 61.2047 29.9651 182.2555 35 E 4.2989 8.5202 119.5536 58.4653 29.6418 178.8322 36 N 4.3945 8.9002 119.8199 56.6462 38.5491 177.9142 37 L 4.1470 7.6833 126.1018 60.1325 40.8110 182.6293 38 K 4.1928 7.4500 123.8564 59.3405 31.6861 180.4992 39 L 4.1021 7.7971 120.6661 57.4209 42.4133 178.1915 40 F 4.8605 8.5566 116.3997 56.2112 39.9425 177.3935 41 G 3.8438 8.8101 108.2395 46.2475 0.0000 177.3186 42 K 3.9491 8.6839 122.4439 59.2733 32.1007 178.3255 43 C 4.0930 8.0507 115.6106 61.6518 28.0477 174.1910 44 N 4.9610 8.0849 116.8121 52.0735 38.8912 173.9936 45 N 4.1207 8.0383 116.1682 54.1841 39.2434 173.3485 46 P 4.1953 0.0000 0.0000 65.6944 31.5149 176.8214 47 N 4.5322 8.1395 112.1295 52.8518 38.6765 175.3173 48 G 3.9063 9.4935 106.1725 45.2359 0.0000 171.1387 49 H 4.8062 8.5626 112.4275 55.3066 32.0032 172.0989 50 G 4.4516 8.2307 104.2526 46.2723 0.0000 171.8563 51 H 4.8135 8.8466 115.3562 54.2791 33.6276 173.5635 52 N 4.9360 8.5119 119.3388 52.3230 38.1416 174.2726 53 Y 4.2537 8.5508 122.2836 57.6277 39.4124 174.9767 54 K 5.1566 8.9069 122.0890 54.6425 35.5142 175.3241 55 V 5.0608 9.1951 123.8250 61.1618 34.9648 174.1170 56 V 4.8299 9.1481 128.0989 61.3081 33.7996 174.1101 57 V 4.7993 8.8281 128.7314 61.6451 33.6115 174.3761 58 T 5.1697 9.0327 124.5665 62.0031 71.2968 173.8314 59 V 5.0055 8.9658 119.9539 60.0412 34.9516 174.3217 60 H 5.3345 9.6181 117.3097 53.7158 32.1587 173.2283 61 G 3.9391 7.5191 104.1514 46.2137 0.0000 170.8581 62 E 4.6797 8.0050 120.6712 55.8924 31.0341 176.4760 63 I 3.9405 8.5864 128.2550 60.8584 37.8442 175.6397 64 D 4.3548 9.0235 128.8177 53.5514 41.2916 175.4472 65 P 4.4541 0.0000 0.0000 65.3063 31.5657 177.2726 66 A 4.2775 8.5386 121.9122 53.6267 18.9888 177.9818 67 T 4.2909 8.0945 103.7900 61.0136 70.4626 175.5823 68 G 3.9366 8.9817 109.7023 45.7798 0.0000 172.8523 69 M 4.8258 7.5337 117.6747 53.2980 35.8529 176.5117 70 V 3.8530 8.4843 121.6641 64.5357 32.2434 175.9130 71 M 4.7995 7.4680 116.0260 52.4983 35.4035 174.0189 72 N 4.4734 8.6629 122.8884 53.4979 40.4166 175.9093 73 L 4.1743 8.5781 127.1083 56.4389 41.8914 179.1026 74 A 3.9348 8.4223 122.0270 55.0982 18.3241 179.2929 75 D 3.9426 7.8361 116.8598 57.4691 41.0122 178.5845 76 L 4.0970 8.0481 120.7694 57.9587 41.9880 178.7606 77 K 3.8547 7.9523 119.4604 59.5457 32.0512 178.9124 78 K 3.8938 7.6724 117.9556 59.7363 31.9033 178.8991 79 Y 4.3166 7.7050 116.9846 61.6369 37.7943 178.8963 80 M 4.1037 8.2530 119.5412 58.1079 32.0050 178.3723 81 E 3.9422 8.2929 119.7580 59.2780 29.5772 178.5753 82 E 4.4582 8.5513 119.6038 58.4034 29.8734 177.9553 83 A 4.2624 8.1894 119.2280 53.2158 19.2588 176.9358 84 I 4.2356 7.7221 115.6375 63.3090 39.8785 177.7945 85 M 3.9799 8.0295 118.8116 58.7811 32.5201 178.7424 86 Q 4.0085 8.3769 117.9192 58.5601 28.9653 177.6598 87 P 4.4052 0.0000 0.0000 64.4727 31.8527 176.7667 88 L 4.3652 7.5449 117.2882 54.9255 43.4054 176.4278 89 D 4.5924 8.1270 118.7936 55.2898 41.8172 175.5458 90 H 4.1100 9.2106 123.7780 57.2868 26.9714 174.4621 91 K 4.6345 7.6540 115.9656 54.5028 36.3000 175.4407 92 N 5.1866 9.1637 119.6353 51.3637 39.3010 175.7479 93 L 3.9328 9.0396 127.5070 58.1457 41.8287 179.7354 94 D 4.4857 7.8011 116.2781 56.4966 40.9781 177.1617 95 M 4.4592 8.1636 116.7562 55.7145 33.6303 176.3332 96 D 4.5829 8.5492 117.0540 54.1958 42.3533 176.3173 97 V 4.2372 7.4012 119.6327 60.2675 31.9069 173.9552 98 P 4.2641 0.0000 0.0000 65.8675 31.4924 178.0731 99 Y 3.9386 8.1956 117.5749 60.6929 38.4654 176.7460 100 F 4.6724 8.0811 115.3085 57.3440 39.0498 176.5008 101 A 4.2354 8.0725 126.8585 54.7172 18.1643 178.6376 102 D 4.9501 7.7350 113.5461 52.9543 40.1467 175.2270 103 V 4.3435 7.5381 117.8992 61.4716 34.3411 175.0275 104 V 3.7755 8.4741 127.0765 63.1269 32.1366 176.1390 105 S 4.3515 8.3544 123.9293 58.3190 63.2886 174.8838 106 T 4.1823 7.5786 110.9408 62.8345 70.9716 174.2755 107 T 3.9790 8.5208 118.7026 66.8010 68.5390 176.5306 108 E 3.9732 8.2808 120.0619 59.8432 29.5314 179.1656 109 N 4.5498 8.1775 115.5572 55.9625 38.5711 177.8010 110 V 3.8967 8.1133 119.9848 65.9488 31.5554 177.9446 111 A 4.1199 8.3812 120.8219 55.0899 18.1372 179.8537 112 V 3.1004 7.6683 116.6933 66.0159 31.4869 177.5123 113 Y 3.6867 8.2188 119.3912 60.7432 38.5154 178.2807 114 I 3.5185 8.0961 120.6179 63.9620 37.1910 177.9970 115 W 4.1374 8.4321 129.2520 60.8387 30.3267 177.7275 116 D 4.4181 8.3355 117.4770 57.3925 40.3976 178.2362 117 N 4.2167 7.9464 117.1330 56.2446 38.4401 177.4530 118 L 3.8223 7.8307 120.3762 57.8691 41.4704 179.6380 119 Q 3.7742 7.6942 116.6054 58.1027 28.6340 177.9817 120 K 4.2398 7.2437 117.5591 57.2240 32.1933 177.7347 121 V 4.2506 7.0378 110.3124 61.3850 34.4113 176.1916 122 L 3.5365 7.4438 118.7104 52.8908 42.4823 175.0163 123 P 4.1733 0.0000 0.0000 62.6928 31.8467 176.4080 124 V 3.6092 8.1346 121.4556 64.3995 31.8708 176.2361 125 G 3.9403 8.6768 112.6761 46.1075 0.0000 174.2507 126 V 3.9511 7.2492 119.3185 64.1778 32.2974 176.2272 127 L 4.0754 7.5760 121.1620 55.3540 42.3528 174.7003 128 Y 4.7325 8.7070 126.9590 58.8596 40.6817 175.6461 129 K 4.8696 7.8290 117.9934 55.2092 36.1056 174.2931 130 V 4.9116 9.1046 126.3060 61.0177 34.4968 173.8646 131 K 5.0165 9.3429 129.5157 54.5732 35.0321 174.5460 132 V 4.9613 8.8663 127.5163 61.4474 34.4068 173.6965 133 Y 4.8764 9.3519 126.9026 56.7230 38.3920 176.3929 134 E 3.5340 8.8419 127.0665 58.5555 29.6335 176.1760 135 T 4.6634 7.3397 106.6245 59.6866 72.1020 173.7897 136 D 4.4723 8.7839 120.4330 56.9736 40.6851 177.4715 137 N 4.8937 8.2478 113.2893 52.7826 39.8446 173.8976 138 N 5.0141 8.1119 115.8909 51.5254 41.8225 173.4904 139 I 4.8929 8.3780 123.8146 59.2709 41.0450 175.1587 140 V 4.4799 8.8277 125.1481 61.0219 34.7461 174.2593 141 V 4.8782 8.4324 126.2022 61.2279 33.6549 173.7690 142 Y 4.7680 9.0849 128.4187 55.5742 41.7891 175.6397 143 K 4.0846 7.3561 123.1191 55.6283 33.4813 176.8677 144 G 2.4820 5.3800 105.3511 44.4751 0.0000 173.9236 145 E 4.0135 6.9259 123.8445 56.1673 29.6335 176.1218 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 8 R 8.25 4.38 0.00 1.85 1.84 0.00 3.17 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 9 R 8.39 4.60 0.00 1.81 1.94 0.00 3.33 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 10 C 9.20 4.90 0.00 2.81 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 11 Q 8.73 5.02 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 12 A 8.81 4.73 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 13 Q 8.55 5.00 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.63 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 14 V 8.84 4.54 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 1.06 0.00 0.00 0.94 0.00 0.00 15 S 8.80 5.43 0.00 3.80 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 16 R 8.99 4.70 0.00 1.88 1.76 0.00 3.07 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 17 R 8.74 5.31 0.00 1.88 1.80 0.00 3.12 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 18 I 8.91 5.01 1.97 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 1.39 1.16 0.97 0.00 0.00 19 S 8.67 5.42 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.69 5.27 0.00 3.24 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 21 S 9.17 5.30 0.00 3.57 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 9.01 5.25 1.51 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 23 S 8.80 5.29 0.00 3.96 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 24 H 8.77 4.79 0.00 3.23 3.31 0.00 5.22 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.26 4.73 0.00 1.66 1.70 0.00 3.37 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 26 L 8.51 4.12 0.00 1.23 0.13 0.88 0.38 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 27 Y 7.87 4.80 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.82 4.62 0.00 3.94 3.81 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 29 K 8.77 3.99 0.00 1.81 1.74 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.05 7.81 *30 F 7.74 4.30 0.00 2.52 2.33 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 31 L 7.11 4.51 0.00 1.45 1.53 0.86 0.84 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 32 S 8.34 4.55 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 33 D 8.99 4.78 0.00 2.70 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 34 E 8.12 4.24 0.00 1.97 1.98 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 2.31 1.96 0.00 35 E 8.52 4.30 0.00 1.92 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 2.27 2.32 0.00 36 N 8.90 4.39 0.00 2.83 3.07 0.00 0.00 6.96 6.60 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 37 L 7.68 4.15 0.00 1.50 1.68 0.92 0.83 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 38 K 7.45 4.19 0.00 1.80 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 39 L 7.80 4.10 0.00 1.28 1.18 0.65 0.22 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 40 F 8.56 4.86 0.00 3.25 2.98 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 41 G 8.81 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 42 K 8.68 3.95 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.47 7.81 43 C 8.05 4.09 0.00 3.24 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 44 N 8.08 4.96 0.00 2.87 3.08 0.00 0.00 7.04 8.45 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 45 N 8.04 4.12 0.00 2.95 2.75 0.00 0.00 7.16 7.30 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 46 P 0.00 4.20 0.00 2.07 2.10 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 47 N 8.14 4.53 0.00 2.70 2.83 0.00 0.00 7.09 7.65 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 48 G 9.49 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 49 H 8.56 4.81 0.00 3.11 3.36 0.00 5.28 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 50 G 8.23 4.45 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 0.00 51 H 8.85 4.81 0.00 1.96 2.57 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.51 4.94 0.00 2.51 2.71 0.00 0.00 7.00 7.46 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 53 Y 8.55 4.25 0.00 1.43 2.31 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 54 K 8.91 5.16 0.00 1.62 1.61 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.23 7.81 55 V 9.20 5.06 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 1.24 0.00 0.00 1.29 0.00 0.00 56 V 9.15 4.83 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 1.07 0.00 0.00 1.12 0.00 0.00 57 V 8.83 4.80 2.14 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 0.92 0.00 0.00 1.00 0.00 0.00 58 T 9.03 5.17 4.46 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 1.43 0.00 0.00 59 V 8.97 5.01 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 1.02 0.00 0.00 60 H 9.62 5.33 0.00 3.00 3.02 0.00 5.74 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 61 G 7.52 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 62 E 8.00 4.68 0.00 2.04 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 2.36 2.32 0.00 63 I 8.59 3.94 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.88 0.00 0.00 64 D 9.02 4.35 0.00 2.72 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 65 P 0.00 4.45 0.00 2.21 2.17 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 66 A 8.54 4.28 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 67 T 8.09 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 68 G 8.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 M 7.53 4.83 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 70 V 8.48 3.85 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 0.91 0.00 0.00 0.98 0.00 0.00 71 M 7.47 4.80 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 72 N 8.66 4.47 0.00 2.79 2.67 0.00 0.00 7.11 6.66 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 73 L 8.58 4.17 0.00 1.73 1.70 0.93 1.07 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 74 A 8.42 3.93 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 75 D 7.84 3.94 0.00 2.98 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 76 L 8.05 4.10 0.00 1.81 1.70 1.02 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.95 3.85 0.00 2.03 1.93 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 78 K 7.67 3.89 0.00 1.64 1.65 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.46 7.81 79 Y 7.71 4.32 0.00 2.97 2.84 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 80 M 8.25 4.10 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 81 E 8.29 3.94 0.00 2.18 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 0.00 2.30 2.36 0.00 82 E 8.55 4.46 0.00 2.27 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 2.32 2.05 0.00 83 A 8.19 4.26 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 84 I 7.72 4.24 2.00 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 1.29 0.82 0.78 0.00 0.00 85 M 8.03 3.98 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.55 0.00 86 Q 8.38 4.01 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 87 P 0.00 4.41 0.00 2.30 2.24 0.00 3.69 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 2.13 2.00 0.00 88 L 7.54 4.37 0.00 0.84 0.92 0.56 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.13 4.59 0.00 2.71 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 90 H 9.21 4.11 0.00 3.30 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.65 4.63 0.00 1.86 1.66 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.54 7.81 92 N 9.16 5.19 0.00 2.68 2.82 0.00 0.00 7.11 6.25 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 93 L 9.04 3.93 0.00 1.48 1.19 0.53 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.80 4.49 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 95 M 8.16 4.46 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 96 D 8.55 4.58 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.40 4.24 2.44 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 0.91 0.00 0.00 0.99 0.00 0.00 98 P 0.00 4.26 0.00 2.27 2.13 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 99 Y 8.20 3.94 0.00 2.82 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 0.00 100 F 8.08 4.67 0.00 3.29 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 0.00 101 A 8.07 4.24 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 0.00 102 D 7.73 4.95 0.00 2.69 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 0.00 103 V 7.54 4.34 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 0.85 0.00 0.00 0.43 0.00 0.00 104 V 8.47 3.78 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 0.78 0.00 0.00 1.05 0.00 0.00 105 S 8.35 4.35 0.00 3.56 3.45 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 0.00 106 T 7.58 4.18 4.49 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 1.30 0.00 0.00 107 T 8.52 3.98 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 1.33 0.00 0.00 108 E 8.28 3.97 0.00 2.09 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 2.43 2.50 0.00 109 N 8.18 4.55 0.00 3.19 3.24 0.00 0.00 6.72 8.22 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 0.00 110 V 8.11 3.90 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 1.03 0.00 0.00 0.77 0.00 0.00 111 A 8.38 4.12 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 0.00 112 V 7.67 3.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.12 0.00 0.00 113 Y 8.22 3.69 0.00 2.78 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 0.00 114 I 8.10 3.52 2.14 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.97 0.00 0.00 115 W 8.43 4.14 0.00 3.78 3.39 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 0.00 116 D 8.34 4.42 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 7.95 4.22 0.00 2.59 2.60 0.00 0.00 7.05 7.60 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 0.00 118 L 7.83 3.82 0.00 1.64 1.43 0.86 0.94 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 0.00 119 Q 7.69 3.77 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 1.78 2.12 0.00 120 K 7.24 4.24 0.00 1.74 1.77 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.56 7.81 121 V 7.04 4.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.79 0.00 0.00 122 L 7.44 3.54 0.00 1.31 1.27 0.63 0.36 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 0.00 123 P 0.00 4.17 0.00 2.11 1.95 0.00 3.37 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 124 V 8.13 3.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.89 0.00 0.00 125 G 8.68 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 0.00 126 V 7.25 3.95 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 127 L 7.58 4.08 0.00 1.22 0.93 0.69 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.71 4.73 0.00 2.64 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 0.00 129 K 7.83 4.87 0.00 1.47 1.65 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.29 7.81 130 V 9.10 4.91 2.47 0.00 0.00 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 0.00 0.00 1.18 0.00 0.00 131 K 9.34 5.02 0.00 1.87 1.82 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.58 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 1.22 7.81 132 V 8.87 4.96 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 1.22 0.00 0.00 1.09 0.00 0.00 133 Y 9.35 4.88 0.00 2.88 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 0.00 134 E 8.84 3.53 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 135 T 7.34 4.66 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 1.13 0.00 0.00 136 D 8.78 4.47 0.00 2.70 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 0.00 137 N 8.25 4.89 0.00 2.70 2.83 0.00 0.00 6.78 7.61 0.00 0.00 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 N 8.11 5.01 0.00 2.60 2.68 0.00 0.00 6.71 7.08 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 0.00 139 I 8.38 4.89 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.48 0.52 0.00 0.00 140 V 8.83 4.48 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 1.07 0.00 0.00 0.95 0.00 0.00 141 V 8.43 4.88 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 0.80 0.00 0.00 0.90 0.00 0.00 142 Y 9.08 4.77 0.00 2.95 2.74 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 0.00 0.00 0.00 0.00 143 K 7.36 4.08 0.00 1.46 1.31 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.50 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.94 1.11 7.81 144 G 5.38 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 6.93 4.01 0.00 1.78 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 0.00 2.11 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.