NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1681 8.2845 120.7665 52.5131 43.5979 173.8659 4 S 4.0122 8.1834 120.9387 58.2740 62.6942 175.2792 5 Q 4.1801 9.1339 129.2283 60.3679 28.7876 176.0698 6 D 4.7074 8.3822 125.3671 59.3092 39.6595 181.1851 7 E 4.3734 8.1770 121.9452 61.2769 29.7282 181.7147 8 I 4.1480 8.2696 122.3283 65.7829 35.5215 182.6452 9 D 4.6684 8.2029 123.6980 59.2985 39.7439 182.4411 10 D 4.7055 8.2066 124.8918 58.7522 39.7983 181.5532 11 L 4.2525 7.9906 126.1367 60.3032 41.0614 181.7643 12 K 4.0925 8.4218 127.2105 60.8670 31.6558 180.8586 13 D 4.6004 9.0823 123.1061 59.5910 39.8736 182.5173 14 V 3.9983 8.2385 122.2508 66.5308 31.7629 181.0579 *15 F 4.2939 8.7134 124.2574 62.8792 37.6177 179.7349 16 E 4.2336 8.3693 120.6677 61.4224 29.3410 181.6663 17 L 4.1771 7.5451 124.4239 60.5198 41.2192 182.0320 *18 F 4.5182 8.1941 122.8335 61.9564 38.3298 180.4399 19 D 4.8748 8.8672 124.6529 58.7923 39.6580 182.2228 *20 F 4.3457 8.3701 121.9610 62.8794 38.0712 183.5187 *21 W 4.4129 8.0419 124.6021 60.5913 28.2176 178.6458 22 D 4.9670 8.1267 115.7542 53.1074 40.1017 179.1037 23 G 3.7019 8.0658 117.5566 46.1864 0.0000 175.0340 24 R 4.3347 8.4059 126.0396 56.8238 29.5841 174.3293 25 D 4.5185 8.9427 119.1456 52.4440 42.5419 172.3735 26 G 3.9485 9.0236 106.2729 47.0099 0.0000 173.6795 27 A 4.9458 7.9594 121.1911 50.8218 22.3797 177.5383 28 V 4.5243 9.0175 122.3812 59.7817 36.0280 174.9577 29 D 4.9909 8.6877 124.7679 53.3821 40.3587 176.3377 30 A 3.5312 9.4052 131.2583 54.5893 18.5390 179.3523 *31 F 4.5177 8.1346 114.2831 58.2989 38.5773 182.4514 32 K 4.6319 8.8516 126.9069 58.1201 32.6695 183.7938 33 L 4.3086 8.1790 121.0951 61.2150 40.5318 183.9513 34 G 4.0170 8.4288 107.3031 47.2794 0.0000 175.5138 35 D 4.5588 8.2171 128.4496 58.7453 40.2208 181.9113 36 V 3.9960 8.1004 121.8165 67.2858 31.7024 181.6019 37 C 4.5661 8.2500 120.5589 60.5968 39.6607 179.0229 38 R 4.9150 7.9066 124.4203 61.4835 29.0475 181.6662 39 C 4.8415 8.4983 119.7600 60.1946 39.8437 180.2160 40 L 4.6911 7.3516 118.2961 54.8081 39.9224 181.3970 41 G 4.3408 7.9848 118.9047 46.2606 0.0000 174.9962 42 I 3.6830 7.2542 118.7835 58.9157 37.1326 177.3856 43 N 5.3102 8.2404 119.9318 51.0370 38.2877 174.0682 44 P 4.6411 0.0000 0.0000 61.7762 32.4455 177.0936 45 R 4.7455 8.1891 119.6115 58.7145 32.4360 175.8468 46 N 4.5417 8.8439 124.2168 58.5805 37.2902 178.1045 47 E 4.2506 8.3831 121.4001 61.8731 29.8024 180.9456 48 D 4.7757 8.1439 123.9169 58.9180 39.9115 181.2011 49 V 3.9586 8.1989 123.4638 66.7355 31.4713 181.1044 *50 F 4.2338 7.9962 121.0237 61.7227 37.5006 179.0225 51 A 4.2389 7.7000 122.5755 55.6318 18.1591 179.5873 52 V 3.9834 8.1811 113.0158 60.4628 32.3480 180.4579 53 G 5.0359 7.3865 119.4496 46.7827 0.0000 172.9354 54 G 4.2837 7.8490 111.6203 46.6450 0.0000 173.0600 55 T 4.7493 8.0064 112.5101 59.4274 72.5075 175.2346 *56 H 4.4088 8.9203 120.6814 57.6973 28.3496 177.3442 57 K 4.7349 7.6855 119.8549 53.2062 35.6096 179.7732 58 M 4.3873 8.3475 116.1280 55.6254 32.5413 178.2415 59 G 4.0767 8.7161 109.6358 50.1474 0.0000 175.8427 60 E 3.9773 9.6147 116.8904 57.5236 30.0025 180.0351 61 K 4.4739 7.2681 122.8039 55.3215 35.5090 176.2723 62 S 5.3714 8.9647 121.5671 57.8642 66.0431 174.7713 63 L 4.8851 9.5072 124.2782 54.0442 45.7441 177.1198 64 P 4.6680 0.0000 0.0000 61.8752 32.7053 177.1278 *65 F 4.5118 8.5489 117.0990 63.0313 37.8165 174.2934 66 E 4.2714 8.1804 118.0624 62.4001 29.7449 184.2428 67 E 4.4940 8.1909 119.8317 60.6864 30.4163 180.8979 *68 F 4.4630 7.7093 121.2442 62.7053 38.1480 182.6579 69 L 4.2640 7.7692 125.4805 60.0149 40.6922 180.7151 70 P 4.6013 0.0000 0.0000 66.3406 30.7451 180.0655 71 A 4.3697 7.9378 120.6224 56.3837 18.0466 179.7598 *72 Y 4.1543 7.8863 120.1452 62.0712 37.1798 180.4556 73 E 4.4640 8.0425 118.2017 61.7150 29.8352 183.2794 74 G 3.8273 8.7578 109.8006 48.0393 0.0000 176.0456 75 L 4.0894 8.3890 121.1360 55.5393 41.1912 180.4841 76 M 4.3814 8.7349 121.4676 58.2368 32.2906 182.6317 77 D 4.7146 7.5653 117.2834 54.5708 39.8775 178.3536 78 C 4.5619 7.6024 119.0945 57.9746 28.9499 179.2147 79 E 4.1898 8.7668 121.8798 56.2516 29.9784 176.1380 80 Q 4.8003 8.4164 119.7468 52.4993 31.9075 174.2917 81 G 3.9755 8.5432 110.9289 45.4943 0.0000 175.4814 82 T 4.4415 8.2590 121.8791 62.3516 71.1736 174.2402 *83 F 4.2764 8.4409 119.2096 63.2314 37.9704 174.9081 84 A 4.2336 8.1935 123.3381 56.0023 18.2078 179.7070 85 D 4.3991 8.2444 120.8714 59.7097 39.7243 181.2843 *86 Y 4.3250 7.9367 124.2959 62.3258 36.5520 180.7549 87 M 4.3797 8.1168 122.8844 60.8513 31.8139 182.0640 88 E 4.1786 8.8031 119.6388 61.1048 29.2699 180.6195 89 A 4.2475 8.3507 122.9337 56.1014 18.4676 180.5440 *90 F 4.2149 8.0381 120.8275 62.1464 37.9922 180.3902 91 K 4.3271 8.2925 125.0588 60.9040 31.3136 183.9557 92 T 4.3459 7.5645 113.7019 64.8377 68.3540 177.3397 *93 F 4.7287 7.8088 119.6004 57.8184 38.4409 180.9003 94 D 4.7757 8.3863 123.0205 53.1982 39.2784 183.4256 95 R 4.3211 8.6052 127.4557 58.8374 29.9422 176.1623 96 E 4.0664 8.1484 113.6569 57.2715 29.7996 180.4925 97 G 4.0200 7.8780 107.7315 46.0313 0.0000 173.8990 98 Q 4.4817 7.7734 117.9860 55.1338 29.0074 181.3458 99 G 3.8720 8.3468 106.5812 47.9222 0.0000 174.4498 *100 F 5.2857 6.8921 115.9771 54.3558 41.5465 177.3833 101 I 4.0103 7.4994 116.1897 61.2119 38.4858 170.3262 102 S 5.2777 7.7115 118.7886 59.5526 65.6731 175.2603 103 G 3.7785 8.4864 106.8945 48.7413 0.0000 175.8717 104 A 4.0484 8.0980 125.7022 55.3206 18.3741 180.1735 105 E 3.9608 8.2408 118.4110 61.8192 30.0042 181.1714 106 L 4.2444 8.0327 126.3357 60.0902 40.8042 181.9148 107 R 4.1946 8.4593 124.4836 62.3450 29.3261 180.8418 *108 H 4.3872 8.1379 122.3057 60.2973 27.7784 180.3938 109 V 3.9225 8.1790 125.0225 66.3421 31.3289 180.9850 110 L 4.2956 8.0410 125.7001 60.3849 40.6922 182.0123 111 T 4.4688 8.3396 115.9330 64.7799 68.5441 177.4695 112 A 4.4149 8.4370 126.1603 54.1859 19.4739 178.2477 113 L 4.4642 7.4895 114.4939 53.1646 42.7260 179.9309 114 G 3.8775 8.6236 109.5826 46.6871 0.0000 173.7446 115 E 4.0780 8.8579 115.9588 56.4128 27.8641 172.7769 116 R 4.2670 7.9596 127.9003 55.4310 31.2008 175.1005 117 L 4.8046 8.3357 120.5688 54.4015 44.8723 177.8187 118 S 4.2047 9.1171 125.0168 58.8075 63.1531 172.7653 119 D 4.6160 8.9470 123.4669 59.0891 39.5624 180.5574 120 E 4.2678 8.1847 119.6524 62.4684 30.0485 184.3598 121 D 4.7032 8.2479 124.4211 58.8384 39.7321 181.2382 122 V 3.9247 7.5961 120.7611 66.9330 31.8014 182.4406 123 D 4.7288 8.1813 124.2631 59.2156 39.5251 180.4146 124 E 4.3749 8.7962 120.5301 60.8564 29.3675 183.2905 125 I 4.0081 7.7344 124.0820 66.2106 36.0261 180.7934 126 I 3.9582 8.0660 122.3613 66.0096 35.1355 183.0026 127 K 4.2285 8.0133 127.3285 61.0038 31.9418 181.0653 128 L 4.2223 8.6513 126.1705 60.2131 40.4304 181.2031 129 T 4.2411 8.2742 120.1563 64.0116 69.5467 176.2608 130 D 4.6182 7.8887 119.9145 55.5294 37.7243 180.4432 131 L 4.2777 8.0066 122.6291 55.1858 41.8929 179.4257 132 Q 4.6787 8.5050 123.0881 52.9908 31.8755 173.3049 133 E 5.1796 8.5778 118.5173 54.2510 32.2294 176.2070 134 D 4.9395 8.1398 119.8216 53.5283 42.2167 178.5007 135 L 4.0776 8.6542 116.8407 59.8351 40.9893 174.6489 136 E 4.2395 8.1360 112.2235 56.1746 30.3718 179.0645 137 G 3.8231 8.2021 108.3662 48.3192 0.0000 173.5191 138 N 5.5783 8.1188 119.0183 51.4777 41.4690 176.9331 139 V 4.7207 9.0021 119.1742 60.8551 36.6334 176.8096 140 K 5.0454 8.7269 129.4716 54.6609 31.9210 177.5927 *141 Y 4.1494 8.7678 131.7230 60.9147 36.5794 175.8453 142 E 4.2631 8.1492 119.4729 62.5463 30.2657 184.3941 143 D 4.7625 7.9684 124.9504 59.0173 39.8916 180.6515 *144 F 4.1773 8.2719 123.7217 62.9189 37.8825 180.4261 145 V 3.9229 7.9355 121.6499 66.7342 31.1091 181.4625 146 K 4.3058 7.9094 125.4411 60.2053 31.7459 182.0881 147 K 4.3791 8.2434 127.2928 60.3214 31.5331 182.1415 148 V 3.9034 7.9772 122.0245 67.1735 31.4722 180.7525 149 M 4.4251 7.9186 119.5069 59.3830 31.2744 179.8664 150 A 4.3236 8.0356 121.2708 54.9647 18.7540 177.3011 151 G 4.1168 7.7779 102.0648 43.0635 0.0000 172.6971 152 P 4.2797 0.0000 0.0000 64.5065 30.9413 175.0485 *153 Y 4.5113 7.7930 116.5787 55.4257 38.7768 178.1606 154 P 4.5801 0.0000 0.0000 61.2363 31.1115 172.7807 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 3 L 8.28 4.17 0.00 1.68 1.66 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.18 4.01 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.13 4.18 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 6 D 8.38 4.71 0.00 2.67 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 7 E 8.18 4.37 0.00 1.92 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 2.24 2.19 0.00 8 I 8.27 4.15 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 9 D 8.20 4.67 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.21 4.71 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.99 4.25 0.00 1.67 1.71 0.92 0.96 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 12 K 8.42 4.09 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 13 D 9.08 4.60 0.00 2.62 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 V 8.24 4.00 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 0.71 0.00 0.00 0.93 0.00 0.00 *15 F 8.71 4.29 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.37 4.23 0.00 2.01 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 2.24 2.20 0.00 17 L 7.55 4.18 0.00 1.83 1.67 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *18 F 8.19 4.52 0.00 2.29 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 0.00 0.00 0.00 0.00 19 D 8.87 4.87 0.00 2.63 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 *20 F 8.37 4.35 0.00 2.28 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 *21 W 8.04 4.41 0.00 2.61 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 0.00 0.00 0.00 0.00 22 D 8.13 4.97 0.00 2.67 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 23 G 8.07 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.41 4.33 0.00 1.84 1.77 0.00 3.20 0.00 0.00 3.92 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 25 D 8.94 4.52 0.00 2.62 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 26 G 9.02 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 27 A 7.96 4.95 1.18 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 0.00 0.00 28 V 9.02 4.52 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 0.72 0.00 0.00 0.93 0.00 0.00 29 D 8.69 4.99 0.00 2.36 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 30 A 9.41 3.53 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 F 8.13 4.52 0.00 2.32 2.20 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 32 K 8.85 4.63 0.00 1.67 1.80 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.28 7.81 33 L 8.18 4.31 0.00 1.64 1.75 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.43 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 35 D 8.22 4.56 0.00 2.78 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 36 V 8.10 4.00 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 0.71 0.00 0.00 0.93 0.00 0.00 37 C 8.25 4.57 0.00 2.87 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 38 R 7.91 4.92 0.00 1.92 1.88 0.00 3.19 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 0.00 39 C 8.50 4.84 0.00 2.82 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 40 L 7.35 4.69 0.00 1.68 1.56 0.92 0.95 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 41 G 7.98 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.25 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.91 0.00 0.00 43 N 8.24 5.31 0.00 2.66 2.57 0.00 0.00 6.62 7.75 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 44 P 0.00 4.64 0.00 2.08 1.88 0.00 3.70 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 1.94 1.58 0.00 45 R 8.19 4.75 0.00 1.80 1.82 0.00 3.24 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 46 N 8.84 4.54 0.00 2.72 2.88 0.00 0.00 6.84 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 47 E 8.38 4.25 0.00 2.06 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 2.24 1.97 0.00 48 D 8.14 4.78 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.20 3.96 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 0.71 0.00 0.00 0.93 0.00 0.00 *50 F 8.00 4.23 0.00 2.31 2.34 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 51 A 7.70 4.24 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.18 3.98 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 0.74 0.00 0.00 0.93 0.00 0.00 53 G 7.39 5.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.85 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 0.00 0.00 0.00 0.00 55 T 8.01 4.75 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 *56 H 8.92 4.41 0.00 2.92 3.01 0.00 7.11 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.69 4.73 0.00 1.71 1.55 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.96 7.81 58 M 8.35 4.39 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.11 0.00 59 G 8.72 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 60 E 9.61 3.98 0.00 2.01 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 2.27 2.19 0.00 61 K 7.27 4.47 0.00 1.39 1.64 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.19 0.83 7.81 62 S 8.96 5.37 0.00 3.35 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 63 L 9.51 4.89 0.00 1.18 1.48 0.92 1.07 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 64 P 0.00 4.67 0.00 1.99 1.99 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.58 0.00 *65 F 8.55 4.51 0.00 2.28 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 66 E 8.18 4.27 0.00 2.06 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 2.23 1.94 0.00 67 E 8.19 4.49 0.00 2.06 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 2.22 1.93 0.00 *68 F 7.71 4.46 0.00 2.41 2.32 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 69 L 7.77 4.26 0.00 1.61 1.73 0.92 0.98 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 70 P 0.00 4.60 0.00 2.07 2.08 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 71 A 7.94 4.37 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 *72 Y 7.89 4.15 0.00 2.43 2.22 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 73 E 8.04 4.46 0.00 2.01 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 2.24 2.19 0.00 74 G 8.76 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 0.00 0.00 0.00 75 L 8.39 4.09 0.00 1.65 1.58 0.92 0.77 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 76 M 8.73 4.38 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 77 D 7.57 4.71 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.60 4.56 0.00 2.67 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 79 E 8.77 4.19 0.00 1.98 1.77 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 2.23 1.88 0.00 80 Q 8.42 4.80 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 81 G 8.54 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 82 T 8.26 4.44 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 *83 F 8.44 4.28 0.00 2.28 2.32 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 84 A 8.19 4.23 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 85 D 8.24 4.40 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 Y 7.94 4.33 0.00 2.35 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 87 M 8.12 4.38 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 88 E 8.80 4.18 0.00 1.91 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 2.25 2.22 0.00 89 A 8.35 4.25 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *90 F 8.04 4.21 0.00 2.28 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 91 K 8.29 4.33 0.00 1.76 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 92 T 7.56 4.35 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 *93 F 7.81 4.73 0.00 2.20 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 0.00 0.00 0.00 0.00 94 D 8.39 4.78 0.00 2.55 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 95 R 8.61 4.32 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 96 E 8.15 4.07 0.00 1.98 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 2.23 1.88 0.00 97 G 7.88 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 98 Q 7.77 4.48 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.35 0.00 0.00 0.00 0.00 0.00 2.30 1.91 0.00 99 G 8.35 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 *100 F 6.89 5.29 0.00 2.30 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 0.00 0.00 0.00 0.00 101 I 7.50 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.30 0.91 0.00 0.00 102 S 7.71 5.28 0.00 3.71 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 0.00 103 G 8.49 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 0.00 104 A 8.10 4.05 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 0.00 105 E 8.24 3.96 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 2.31 1.94 0.00 106 L 8.03 4.24 0.00 1.66 1.73 0.92 0.76 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 0.00 107 R 8.46 4.19 0.00 1.78 1.98 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 *108 H 8.14 4.39 0.00 2.94 3.12 0.00 7.18 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.18 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 110 L 8.04 4.30 0.00 1.67 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.34 4.47 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 0.00 112 A 8.44 4.41 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 0.00 113 L 7.49 4.46 0.00 1.63 1.45 0.92 0.85 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 0.00 114 G 8.62 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.86 4.08 0.00 2.00 1.82 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 2.23 1.89 0.00 116 R 7.96 4.27 0.00 1.59 1.78 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 117 L 8.34 4.80 0.00 1.32 1.51 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 118 S 9.12 4.20 0.00 3.41 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 0.00 119 D 8.95 4.62 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.18 4.27 0.00 1.97 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 0.00 2.31 1.94 0.00 121 D 8.25 4.70 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.60 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 123 D 8.18 4.73 0.00 2.62 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 0.00 124 E 8.80 4.37 0.00 1.98 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 2.24 2.20 0.00 125 I 7.73 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.91 0.00 0.00 126 I 8.07 3.96 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 127 K 8.01 4.23 0.00 1.87 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.34 7.81 128 L 8.65 4.22 0.00 1.62 1.59 0.92 0.68 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 0.00 129 T 8.27 4.24 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 0.00 130 D 7.89 4.62 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.28 0.00 1.68 1.49 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.51 4.68 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.85 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 133 E 8.58 5.18 0.00 1.97 1.75 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 2.16 1.81 0.00 134 D 8.14 4.94 0.00 2.59 2.61 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 0.00 0.00 0.00 0.00 135 L 8.65 4.08 0.00 1.66 1.62 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.14 4.24 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.87 0.00 137 G 8.20 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 0.00 138 N 8.12 5.58 0.00 2.39 2.66 0.00 0.00 6.61 7.67 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 0.00 139 V 9.00 4.72 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 0.65 0.00 0.00 0.93 0.00 0.00 140 K 8.73 5.05 0.00 1.44 1.77 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 0.85 7.81 *141 Y 8.77 4.15 0.00 2.31 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 0.00 142 E 8.15 4.26 0.00 2.06 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 2.23 1.94 0.00 143 D 7.97 4.76 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *144 F 8.27 4.18 0.00 2.27 2.35 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 0.00 145 V 7.94 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 146 K 7.91 4.31 0.00 1.87 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.32 7.81 147 K 8.24 4.38 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 148 V 7.98 3.90 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 0.93 0.00 0.00 0.93 0.00 0.00 149 M 7.92 4.43 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 150 A 8.04 4.32 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 0.00 151 G 7.78 4.12 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 0.00 0.00 0.00 152 P 0.00 4.28 0.00 2.10 1.97 0.00 3.69 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 1.94 1.58 0.00 *153 Y 7.79 4.51 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.58 0.00 2.07 1.83 0.00 3.74 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 1.87 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.