NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3418 8.3444 121.7048 56.1030 29.1727 174.0283 3 N 4.1811 8.2826 122.1383 51.4058 40.4887 173.9955 4 A 3.7006 8.6881 121.2894 54.5922 19.0137 178.7981 5 D 4.1903 7.9057 117.5219 57.8409 40.9347 178.4746 6 D 4.4106 7.6154 118.8251 57.3466 40.7073 179.0990 7 F 4.1368 7.8310 117.6302 60.6961 39.1979 177.3873 8 I 3.6469 7.9906 118.3638 64.0862 37.7821 177.6099 9 K 3.8367 8.4530 120.9998 59.3509 31.8929 178.8651 10 F 3.9294 8.4586 117.8033 60.7015 38.9512 176.7857 11 L 4.0940 8.4794 117.0529 54.4188 41.7480 176.5629 12 E 3.7516 7.5663 117.3625 57.2953 27.4538 175.0996 13 L 4.2544 8.0699 117.3836 55.1128 42.7557 179.2500 14 E 4.5547 9.0778 123.7902 55.4250 32.9541 174.1486 15 Q 4.5140 8.5368 122.9378 55.1851 31.0809 176.2071 16 H 4.3162 8.7163 127.7611 55.6135 30.6898 175.7987 17 V 3.6782 7.8767 125.4242 64.5364 31.7336 177.4943 18 E 4.2530 8.1413 115.9526 56.7174 29.4381 175.5948 19 G 3.9376 7.1821 109.2473 49.2334 0.0000 173.7994 20 G 3.7224 6.8644 113.6982 44.5448 0.0000 169.7078 21 F 5.0923 7.8612 118.5330 55.7773 42.5376 174.0332 22 Y 4.5925 8.3264 121.9643 57.3456 40.9541 173.7390 23 R 4.3654 8.5573 121.2893 56.0832 32.0783 173.5487 24 S 4.3691 8.9479 120.9171 59.0158 61.9331 173.4005 25 S 4.5152 8.3366 126.9939 59.8226 62.2407 174.9774 26 Y 4.9967 8.5491 116.6517 56.6701 43.3368 174.1628 27 R 4.3579 8.1977 118.9773 54.4646 33.4753 174.9687 28 S 3.6812 6.9685 119.6280 57.8488 63.1923 173.5752 29 E 4.7554 8.1641 118.2188 55.2567 30.4499 175.2281 30 T 4.5085 7.2325 105.5618 60.8566 71.7665 172.2053 31 A 4.7611 8.1343 124.5281 50.0893 22.4759 176.2244 32 F 4.6242 8.5585 121.0341 61.2561 39.8093 175.2228 33 D 4.5778 7.5369 116.7773 51.8427 41.3000 174.5512 34 P 4.4772 0.0000 0.0000 63.4438 30.8361 177.0854 35 S 4.4987 8.5889 114.7303 59.2891 64.2336 174.0300 36 R 4.6842 7.8180 117.2877 53.9892 33.1150 174.4658 37 Q 4.6863 8.0414 117.3750 55.3746 30.8510 175.6836 38 L 4.3502 8.3905 119.2701 57.3459 43.0518 177.0308 39 W 5.9555 6.9931 114.1307 55.4644 31.7603 173.4751 40 S 5.0169 8.5564 114.5077 56.8354 63.2458 172.9584 41 S 4.8839 9.4486 122.8495 59.1930 63.9648 172.4076 42 I 5.1727 8.9343 118.6487 60.1107 41.5458 173.8903 43 Y 5.0590 8.3575 120.9720 57.6363 40.2506 174.6137 44 F 4.7522 8.0042 116.9515 58.0709 43.6401 172.6639 45 L 5.5615 8.7871 128.0600 53.2207 46.0914 174.6342 46 L 5.0212 9.0745 126.4926 53.4450 44.6477 176.2928 47 R 4.7829 8.8407 126.4851 55.2526 31.3477 176.6957 48 T 4.0557 8.6909 117.3170 66.1473 68.4229 174.8048 49 G 4.3027 7.9983 109.3729 45.4163 0.0000 172.0721 50 E 4.9381 8.6046 118.3689 54.5647 32.6155 175.7663 51 V 4.6381 7.9699 112.4037 60.4122 35.8030 174.0096 52 S 4.9424 9.4200 119.7914 57.3797 63.1179 173.0880 53 H 4.5612 9.1551 125.7962 55.0617 29.5947 175.2432 54 F 4.7953 8.6573 121.1655 58.4936 39.9428 174.1969 55 H 5.3953 9.1766 118.7731 54.1687 32.2602 171.9070 56 R 5.2691 8.3718 116.8357 55.2488 33.4290 173.4409 57 L 5.3055 8.7119 122.3618 53.1700 46.4890 176.8342 58 T 4.5105 8.6413 114.6480 63.5659 68.5175 174.2731 59 A 4.9020 7.4786 123.0677 50.8185 22.3721 176.0017 60 D 4.7266 8.4691 119.1807 54.8717 42.7126 175.4044 61 E 4.4156 8.4664 119.2547 55.2894 33.5028 173.4927 *63 W 4.8242 8.5535 118.5531 57.0979 30.6433 174.0496 64 Y 4.7084 8.2003 122.8174 56.3810 38.7141 175.2903 65 F 3.9239 9.3507 128.6682 59.1660 39.6612 172.9537 66 H 4.7813 8.1892 121.7450 56.1212 29.8393 175.9812 67 A 4.5307 7.0607 118.9344 51.6361 23.7748 175.0916 68 G 2.6011 8.4261 103.9877 44.1822 0.0000 173.0491 69 Q 4.0946 8.6720 120.9042 56.0680 29.4903 176.9578 70 S 4.6858 8.3139 117.2658 57.1806 63.6100 174.5329 71 L 4.6055 8.4696 126.4908 55.9717 42.6454 176.1366 72 T 4.7801 7.8217 113.3667 63.1749 73.6924 173.2049 73 I 4.8061 7.8212 124.2609 59.7080 41.0082 174.2488 74 Y 4.8004 8.4374 121.1116 55.9810 42.1805 174.3808 *76 I 4.7910 8.2987 119.9723 61.1695 39.5097 175.2318 77 S 4.6146 8.1414 123.3488 56.2190 64.4936 173.0572 78 P 4.4137 0.0000 0.0000 64.4151 30.8807 176.5133 79 E 4.3983 7.7813 117.6614 56.2846 31.0311 176.5518 80 G 3.7745 7.9698 108.0141 45.0575 0.0000 172.6971 81 E 4.1388 8.5140 122.2387 55.0195 30.8020 175.0528 82 L 4.5045 8.5120 130.2867 54.1308 42.4581 175.5284 83 T 4.5902 7.9561 117.5231 60.9780 71.3970 173.6117 84 T 4.4896 7.7644 108.3839 60.9354 71.3137 172.3753 85 A 4.5114 7.9995 124.0433 50.4423 23.8926 174.6209 86 Q 4.4860 7.9900 116.3673 53.9944 32.5094 174.4582 87 L 4.7856 7.5041 126.4092 54.0468 43.5197 175.5222 88 G 3.0255 7.9801 112.8897 46.7888 0.0000 173.1713 89 L 4.4429 8.0344 119.9341 54.4964 40.6992 176.7204 90 D 4.6070 7.2352 120.3189 52.4243 39.8994 176.6363 91 L 4.3646 8.4019 125.1281 56.3266 42.2810 178.6357 92 A 4.0218 7.4573 119.5883 55.1290 18.1258 177.5609 93 A 4.4323 7.6807 118.2626 51.3095 20.7442 178.0123 94 G 3.8173 8.4599 104.2427 46.6558 0.0000 174.0882 95 E 4.1487 7.6508 120.1016 56.4593 30.2558 176.0793 96 R 4.6507 8.3076 120.3188 53.9106 34.2827 174.6142 97 P 4.4589 0.0000 0.0000 64.4052 32.4815 176.1926 98 Q 5.0894 7.8272 116.1403 53.5657 31.3448 174.8493 99 F 4.6924 8.1686 122.2787 57.2549 42.6973 172.7120 100 L 4.8930 6.3861 123.3876 52.9220 45.3063 175.6300 101 V 4.2714 8.3244 125.5352 58.7772 33.1143 173.5220 102 P 4.8281 0.0000 0.0000 62.2274 32.4658 176.0408 103 K 4.2361 8.7674 121.1480 58.1394 33.2156 177.4436 104 G 4.0170 8.5337 109.5372 45.2835 0.0000 173.1476 105 C 4.3314 7.4024 119.8402 59.0503 32.3238 173.1227 106 I 4.6521 8.0949 128.1327 60.1957 37.3877 174.7394 107 F 5.0878 8.7484 122.2362 55.2166 41.5809 173.6854 108 G 4.8326 9.2929 104.7818 48.2120 0.0000 171.3384 109 S 5.2399 8.5515 111.4848 58.4012 65.3060 177.1096 110 A 4.4000 8.2368 126.3576 52.6615 25.2174 177.3586 *112 N 4.7375 9.1325 110.0851 53.3460 41.5011 174.8030 113 Q 4.7852 7.8667 119.9531 56.0166 30.7913 172.4160 114 D 5.0993 8.5053 116.3031 53.2076 43.0366 176.8629 115 G 4.0859 9.5413 119.3241 47.1887 0.0000 175.2432 116 F 5.1945 8.4561 121.8157 58.8254 41.5993 172.6853 117 S 4.3936 8.2018 110.2769 58.0689 67.1683 174.5674 118 L 5.2039 8.4344 125.7969 53.3482 44.6880 175.3551 119 V 4.6622 9.3044 125.0590 61.2805 36.1336 174.2780 120 G 4.4244 8.8967 112.8408 44.4121 0.0000 172.5671 121 C 4.4205 7.9251 125.4114 58.8855 29.3999 172.3684 *123 V 4.2716 8.0856 111.2619 63.2825 32.8542 176.0803 124 S 3.5395 9.2976 110.6825 55.7465 65.3572 174.9255 125 P 5.4785 0.0000 0.0000 60.6428 33.5266 175.6129 126 G 3.7832 8.7378 107.4503 46.6468 0.0000 172.9680 127 F 4.5478 8.7289 128.9647 58.8699 40.2720 174.6065 128 T 4.1330 6.5121 117.6651 60.4894 69.6401 174.4166 129 F 4.0919 8.3758 125.3893 59.3089 39.1483 177.1238 130 D 4.6473 7.8547 120.3176 57.1744 41.0623 177.5726 131 D 5.0529 8.0321 118.1442 56.6872 41.0576 176.8119 132 F 4.5288 7.3288 120.2389 59.4513 40.3797 175.1584 133 E 4.1385 6.9169 120.5394 55.5950 31.8625 174.0993 134 L 4.2958 7.6729 128.4312 53.9246 43.6872 175.1000 135 F 4.9769 8.2351 120.2983 55.3448 43.0864 174.8244 136 S 4.3874 8.6811 115.1172 57.7415 62.9008 174.5951 137 Q 4.2374 8.9267 129.8589 58.7345 28.8188 178.7178 138 E 4.0932 8.1556 118.6322 59.3153 29.7587 178.5540 139 A 4.0083 8.1038 120.2677 55.4467 18.2426 179.2769 140 L 4.1208 8.3525 115.1864 56.5347 41.8390 178.2294 141 L 4.5158 8.3497 120.0751 55.5835 42.3901 177.2030 142 A 4.2507 7.4075 119.6027 53.2670 18.3231 177.7133 *144 Y 4.8514 7.8149 113.7015 58.7873 39.1207 173.5394 145 P 4.6113 0.0000 0.0000 65.9644 32.2287 179.5294 146 Q 3.8293 8.0340 117.8022 58.9859 28.9284 179.1250 147 H 3.8786 8.7585 116.6367 57.6230 29.0401 180.6902 148 K 3.6952 8.3331 116.3765 55.5216 35.1666 175.5588 149 A 4.0033 6.4711 126.6796 54.5493 18.9378 179.4986 150 V 3.7207 7.8016 117.0567 63.5824 32.5234 178.4110 151 V 3.7601 7.9584 117.0231 65.0405 31.3545 176.9093 152 Q 4.5343 7.7176 117.3074 56.8469 29.6816 176.7756 153 K 4.2708 7.1640 116.9941 57.0501 32.3434 176.9457 154 L 4.4283 7.3401 117.7941 54.4875 43.5364 175.4656 155 S 4.5798 7.0231 109.8160 57.9903 64.7764 175.6319 156 R 4.8590 8.5740 125.1606 53.4705 33.3263 173.5109 157 P 4.4438 0.0000 0.0000 63.3384 32.4758 176.1835 158 E 4.1161 8.7868 119.2062 57.1315 29.5356 174.4070 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 Q 8.34 4.34 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 3 N 8.28 4.18 0.00 2.75 2.68 0.00 0.00 7.08 7.28 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 4 A 8.69 3.70 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.91 4.19 0.00 2.60 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 6 D 7.62 4.41 0.00 2.40 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 7 F 7.83 4.14 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.99 3.65 1.70 0.00 0.00 0.36 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 0.96 0.86 0.00 0.00 9 K 8.45 3.84 0.00 1.81 1.86 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.13 1.30 7.81 10 F 8.46 3.93 0.00 3.26 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 11 L 8.48 4.09 0.00 1.59 1.20 0.76 0.98 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 12 E 7.57 3.75 0.00 2.02 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 2.19 2.39 0.00 13 L 8.07 4.25 0.00 1.45 1.68 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.08 4.55 0.00 1.35 1.83 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 2.08 2.01 0.00 15 Q 8.54 4.51 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.97 0.00 0.00 0.00 0.00 0.00 1.90 1.45 0.00 16 H 8.72 4.32 0.00 2.93 2.89 0.00 6.00 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.88 3.68 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 0.60 0.00 0.00 0.92 0.00 0.00 18 E 8.14 4.25 0.00 2.50 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 19 G 7.18 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 20 G 6.86 3.72 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 0.00 0.00 0.00 21 F 7.86 5.09 0.00 2.95 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 22 Y 8.33 4.59 0.00 3.39 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 23 R 8.56 4.37 0.00 1.71 1.83 0.00 3.15 0.00 0.00 3.40 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.26 0.00 24 S 8.95 4.37 0.00 4.07 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 25 S 8.34 4.52 0.00 4.25 4.13 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 26 Y 8.55 5.00 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 4.36 0.00 1.66 1.58 0.00 3.28 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 28 S 6.97 3.68 0.00 2.72 3.35 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 29 E 8.16 4.76 0.00 1.94 1.86 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 2.17 2.25 0.00 30 T 7.23 4.51 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 31 A 8.13 4.76 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 32 F 8.56 4.62 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.54 4.58 0.00 2.70 2.42 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 34 P 0.00 4.48 0.00 2.04 2.10 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 35 S 8.59 4.50 0.00 3.88 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 36 R 7.82 4.68 0.00 1.91 2.12 0.00 3.34 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 37 Q 8.04 4.69 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 38 L 8.39 4.35 0.00 2.04 1.63 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 39 W 6.99 5.96 0.00 3.52 3.18 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 0.00 0.00 0.00 0.00 40 S 8.56 5.02 0.00 3.95 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 41 S 9.45 4.88 0.00 4.17 4.16 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 42 I 8.93 5.17 2.14 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 1.14 0.00 0.00 43 Y 8.36 5.06 0.00 2.94 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 44 F 8.00 4.75 0.00 3.01 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 45 L 8.79 5.56 0.00 1.85 1.59 1.16 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.07 5.02 0.00 2.03 1.69 1.38 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.84 4.78 0.00 2.05 1.95 0.00 3.30 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 48 T 8.69 4.06 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 1.32 0.00 0.00 49 G 8.00 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 0.00 0.00 0.00 0.00 50 E 8.60 4.94 0.00 2.34 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 0.00 2.42 2.70 0.00 51 V 7.97 4.64 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 0.59 0.00 0.00 0.86 0.00 0.00 52 S 9.42 4.94 0.00 4.21 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 53 H 9.16 4.56 0.00 3.26 3.32 0.00 5.91 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 54 F 8.66 4.80 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.18 5.40 0.00 2.94 3.35 0.00 5.45 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 56 R 8.37 5.27 0.00 2.00 2.00 0.00 3.19 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 57 L 8.71 5.31 0.00 2.03 1.80 1.30 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.64 4.51 4.56 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 1.29 0.00 0.00 59 A 7.48 4.90 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 60 D 8.47 4.73 0.00 2.68 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 61 E 8.47 4.42 0.00 2.20 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 2.43 2.35 0.00 *63 W 8.55 4.82 0.00 3.26 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 64 Y 8.20 4.71 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.35 3.92 0.00 3.19 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 66 H 8.19 4.78 0.00 2.92 2.99 0.00 5.69 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 67 A 7.06 4.53 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 68 G 8.43 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 0.00 0.00 0.00 69 Q 8.67 4.09 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 70 S 8.31 4.69 0.00 3.70 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 71 L 8.47 4.61 0.00 1.70 1.74 1.26 0.85 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 72 T 7.82 4.78 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 0.82 0.00 0.00 73 I 7.82 4.81 1.24 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.63 0.57 0.00 0.00 74 Y 8.44 4.80 0.00 3.21 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 *76 I 8.30 4.79 1.50 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.62 0.60 0.00 0.00 77 S 8.14 4.61 0.00 3.95 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 78 P 0.00 4.41 0.00 2.22 2.23 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 79 E 7.78 4.40 0.00 1.89 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 2.21 2.33 0.00 80 G 7.97 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 81 E 8.51 4.14 0.00 1.97 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 2.21 2.20 0.00 82 L 8.51 4.50 0.00 1.26 1.42 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.96 4.59 4.16 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 1.15 0.00 0.00 84 T 7.76 4.49 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 0.80 0.00 0.00 85 A 8.00 4.51 0.23 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 86 Q 7.99 4.49 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.80 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 87 L 7.50 4.79 0.00 1.45 1.54 1.21 1.41 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 88 G 7.98 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 0.00 0.00 0.00 89 L 8.03 4.44 0.00 1.51 1.63 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.24 4.61 0.00 2.74 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 91 L 8.40 4.36 0.00 1.64 1.68 0.90 0.85 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 92 A 7.46 4.02 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 93 A 7.68 4.43 1.23 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 94 G 8.46 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.15 0.00 2.21 1.71 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 2.17 2.16 0.00 96 R 8.31 4.65 0.00 1.79 1.96 0.00 3.14 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 97 P 0.00 4.46 0.00 2.13 2.18 0.00 3.82 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 2.11 2.07 0.00 98 Q 7.83 5.09 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.74 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 99 F 8.17 4.69 0.00 2.84 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 0.00 100 L 6.39 4.89 0.00 1.37 1.02 0.80 0.61 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 0.00 101 V 8.32 4.27 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 -0.30 0.00 0.00 102 P 0.00 4.83 0.00 2.08 2.13 0.00 3.49 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 103 K 8.77 4.24 0.00 1.98 2.05 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.42 7.81 104 G 8.53 4.02 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 0.00 0.00 0.00 105 C 7.40 4.33 0.00 3.00 3.13 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 0.00 106 I 8.09 4.65 1.67 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.76 0.00 0.00 107 F 8.75 5.09 0.00 3.17 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 0.00 108 G 9.29 4.83 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 0.00 0.00 0.00 109 S 8.55 5.24 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 0.00 110 A 8.24 4.40 1.23 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 *112 N 9.13 4.74 0.00 2.77 2.96 0.00 0.00 6.44 7.69 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 0.00 113 Q 7.87 4.79 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 114 D 8.51 5.10 0.00 2.73 2.41 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 0.00 115 G 9.54 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.46 5.19 0.00 3.24 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 0.00 117 S 8.20 4.39 0.00 3.86 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 0.00 118 L 8.43 5.20 0.00 1.37 1.13 1.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.30 4.66 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 0.72 0.00 0.00 1.04 0.00 0.00 120 G 8.90 4.42 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 0.00 121 C 7.93 4.42 0.00 2.65 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 *123 V 8.09 4.27 2.29 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 0.77 0.00 0.00 1.16 0.00 0.00 124 S 9.30 3.54 0.00 4.12 3.43 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 0.00 125 P 0.00 5.48 0.00 2.18 2.26 0.00 3.96 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.03 0.00 126 G 8.74 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 0.00 127 F 8.73 4.55 0.00 2.93 3.05 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 0.00 0.00 0.00 0.00 128 T 6.51 4.13 4.09 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 1.10 0.00 0.00 129 F 8.38 4.09 0.00 3.07 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 0.00 130 D 7.85 4.65 0.00 2.63 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 0.00 131 D 8.03 5.05 0.00 2.96 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 0.00 132 F 7.33 4.53 0.00 3.51 3.38 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 0.00 133 E 6.92 4.14 0.00 1.79 1.65 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 1.47 1.74 0.00 134 L 7.67 4.30 0.00 1.58 1.46 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.24 4.98 0.00 3.09 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 0.00 136 S 8.68 4.39 0.00 3.91 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 0.00 137 Q 8.93 4.24 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 138 E 8.16 4.09 0.00 2.08 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 2.41 2.39 0.00 139 A 8.10 4.01 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 0.00 140 L 8.35 4.12 0.00 1.73 1.94 1.29 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.35 4.52 0.00 1.88 1.83 0.96 0.92 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 0.00 142 A 7.41 4.25 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 *144 Y 7.81 4.85 0.00 3.01 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 0.00 145 P 0.00 4.61 0.00 2.22 2.42 0.00 3.92 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 146 Q 8.03 3.83 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.80 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 147 H 8.76 3.88 0.00 3.31 3.49 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.33 3.70 0.00 1.99 2.00 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.42 7.81 149 A 6.47 4.00 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 0.00 150 V 7.80 3.72 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 0.96 0.00 0.00 0.84 0.00 0.00 151 V 7.96 3.76 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 1.07 0.00 0.00 1.14 0.00 0.00 152 Q 7.72 4.53 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 153 K 7.16 4.27 0.00 1.87 1.66 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 154 L 7.34 4.43 0.00 0.95 0.76 0.49 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.02 4.58 0.00 3.55 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 0.00 156 R 8.57 4.86 0.00 1.83 1.80 0.00 3.27 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 157 P 0.00 4.44 0.00 2.19 2.06 0.00 3.93 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 1.99 1.99 0.00 158 E 8.79 4.12 0.00 2.11 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 2.22 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.