NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2565 8.2501 119.7070 55.8717 31.5445 174.8290 5 A 4.0453 8.2699 122.4359 51.6327 19.6816 175.3791 6 T 4.3644 9.1778 118.4219 62.8609 70.6712 171.8904 7 Y 4.9066 8.6913 123.8171 56.5494 40.1614 175.1613 8 T 4.6435 9.1333 121.7121 61.5910 71.0937 173.7810 9 V 3.9934 8.5516 127.7645 63.2923 31.6344 175.6196 10 I 4.3219 9.0256 130.3732 63.5804 37.5782 176.0905 11 F 4.6106 7.6022 114.7714 56.6730 41.0329 172.5850 12 K 4.5292 9.1860 116.9006 55.4172 33.6736 175.5823 13 N 5.2482 8.4882 117.3339 52.1463 40.9234 174.1244 14 A 4.7354 8.9026 125.8816 50.5118 21.1985 176.4181 15 S 4.3573 7.8871 113.7546 56.9382 64.0384 173.5715 16 G 3.1697 6.2544 107.8532 45.1277 0.0000 173.1564 17 L 4.0888 8.3521 118.8272 53.9933 42.3146 175.8686 18 P 4.3732 0.0000 0.0000 62.1569 31.9806 175.6456 19 N 4.5271 8.6403 120.3661 55.2381 39.3577 175.2277 20 G 3.9582 9.2532 112.8380 45.5432 0.0000 171.6531 21 Y 4.8871 7.8623 116.1990 55.9860 41.0901 174.6602 22 D 5.0249 9.6103 123.3270 52.6764 44.9350 173.9440 23 N 5.5102 8.8672 118.8151 51.4763 40.6837 173.6307 24 W 4.9528 9.3391 126.5838 56.8766 30.1620 177.6051 25 G 4.0872 8.4036 110.9587 45.3576 0.0000 173.1436 26 W 4.9999 8.4323 115.1882 56.0863 31.0919 174.2688 27 G 3.9061 9.0690 105.2760 46.6402 0.0000 172.5463 28 C 5.2869 7.7744 114.0019 58.0747 32.7851 173.3956 29 T 4.6612 8.3703 116.2977 61.8336 71.2781 173.3499 30 L 5.0775 8.3916 124.5490 53.0950 44.2310 175.5677 31 S 4.6347 8.1931 116.3663 57.1932 66.8159 172.5048 32 Y 4.9355 8.0729 115.6755 56.0642 41.6914 174.5726 33 Y 4.5863 9.1583 120.8679 58.0751 41.5806 173.8596 34 G 3.9294 8.7733 112.8967 46.4060 0.0000 174.6395 35 G 4.1165 8.4592 105.0866 45.8855 0.0000 174.0192 36 A 5.0306 7.7957 129.2550 52.1276 17.5571 178.5856 *38 I 3.9082 8.1990 118.7467 62.9432 38.7562 174.1457 39 I 4.3396 8.3528 128.4984 59.8331 39.4844 174.8927 40 N 4.8729 8.7700 125.0694 50.6303 38.5457 172.3168 41 P 4.7120 0.0000 0.0000 62.3192 33.5844 174.6993 42 Q 4.6710 8.6428 121.2208 53.8880 31.0439 175.5055 43 E 4.1147 8.6466 123.0932 58.0725 29.9468 177.7113 44 G 3.8818 8.8390 112.1558 45.3408 0.0000 174.1467 45 K 4.3929 7.5490 116.8851 56.0986 33.0984 175.8835 46 Y 3.7876 7.5621 115.7076 58.6714 35.6936 171.2922 47 G 3.5193 7.7485 104.8912 46.3944 0.0000 173.2178 48 A 4.8379 6.7153 122.0830 49.7152 23.0468 175.9417 49 V 4.1397 8.0477 114.5326 61.2188 33.4353 175.7655 50 S 5.1543 9.5811 119.0407 55.3966 64.8800 171.9959 51 L 4.8570 9.3436 128.2548 54.0363 42.8499 175.8333 52 K 4.7840 9.1852 126.4348 54.2035 34.3472 175.0137 53 R 3.2806 8.5773 129.6793 55.9334 29.7147 176.0248 54 N 4.3412 8.5168 125.4724 55.6937 39.3216 175.7318 55 S 4.1460 7.7432 112.2924 58.5346 64.6215 172.7617 56 G 3.6629 9.7482 113.4695 44.7360 0.0000 171.5280 57 S 4.4404 7.5199 112.1133 57.2422 66.9530 174.1518 58 F 4.7149 8.2755 120.8821 55.8458 41.5830 175.0207 59 R 4.7456 8.3643 119.8456 54.5949 32.3689 176.5665 60 G 3.9236 10.4320 114.2731 45.0124 0.0000 173.7799 61 G 3.7740 8.7589 112.1684 46.5882 0.0000 173.0790 62 S 5.1127 9.1589 118.3201 57.1798 67.0292 172.8377 63 L 5.2751 9.1191 120.8415 52.9856 44.6698 175.6063 64 R 5.0152 9.1663 124.0819 54.5875 33.0583 174.2605 65 F 5.5795 8.1565 118.0639 57.3297 41.7927 172.9776 66 D 5.7251 9.1657 120.9895 52.2319 43.5573 175.4347 *68 K 4.3911 8.2701 117.9996 57.3008 34.3963 174.5155 69 N 5.2363 8.4871 115.0360 52.4495 40.2158 175.4054 70 E 4.1061 9.6099 123.0193 58.6800 30.3146 176.3725 71 G 4.6825 7.6922 104.2761 42.8721 0.0000 172.2827 72 K 4.5150 8.6580 118.6256 56.6360 33.3401 176.6016 73 V 4.7230 8.9995 124.1678 60.9677 34.6795 173.8579 74 K 4.8108 8.9133 129.0225 54.9764 34.2863 174.6962 75 I 4.5854 8.4260 128.4202 59.7672 39.1774 174.8359 76 L 5.0897 8.4122 125.6776 53.0538 46.5452 175.7586 77 V 4.8215 8.0256 112.7032 59.7385 35.1845 174.7982 78 E 5.1869 9.1169 121.3284 54.7404 34.3996 174.0815 79 N 5.2136 9.2239 121.5930 52.3015 40.4022 176.0327 80 S 4.3956 9.2750 123.5912 61.6075 63.5393 176.8180 81 E 4.0295 8.5662 118.7523 59.4278 29.2574 177.8134 82 A 4.1892 8.4084 118.2937 51.9430 19.4869 176.2355 83 D 4.4528 7.5102 113.4220 55.2368 40.1427 172.9482 84 E 4.8480 8.4128 119.2495 54.5654 33.5790 175.1350 85 K 4.9527 8.7547 125.0510 54.8395 35.1106 175.5548 86 F 4.4671 8.3161 124.5132 56.3170 42.5456 173.4760 87 E 4.0745 8.0988 126.3113 56.5785 29.3410 176.6525 88 V 4.0590 8.5113 125.2439 64.6585 32.7685 175.4817 89 E 4.7396 7.4558 117.4564 55.7343 32.9649 174.1630 90 T 4.9519 8.5518 120.7669 61.8740 71.0095 173.4590 91 I 4.3910 8.8154 127.8614 59.4703 39.2917 175.8920 92 S 4.6273 8.6578 122.6949 57.5126 63.7410 172.3383 93 P 4.5740 0.0000 0.0000 63.7022 32.0296 175.9694 94 S 4.6927 9.0331 117.5678 57.3706 65.7905 174.4257 95 D 4.4098 8.9417 125.7471 53.9274 40.0562 175.5743 96 E 4.5734 7.3068 120.5383 53.9044 32.1060 174.7909 97 Y 4.1365 8.3197 121.3322 58.4826 38.5589 175.9240 98 V 4.3905 8.3837 122.0133 61.3604 35.5807 173.9069 99 T 4.5305 8.1540 123.2809 62.6878 69.6360 173.6096 100 Y 4.4056 8.4402 124.4154 55.9554 41.1045 175.0365 101 I 4.5286 8.1769 123.1252 59.5886 40.0639 174.6151 102 L 4.8124 8.8580 128.0001 52.3939 44.5699 176.2285 103 D 4.8466 8.9325 123.8384 54.7757 41.6856 175.9141 104 V 4.2348 9.2492 123.8359 61.5276 32.9479 175.4816 105 D 4.8601 8.7075 126.7967 53.7475 41.3295 176.6266 106 F 3.4372 7.3856 121.8909 58.4033 39.6687 174.2246 107 D 4.7640 8.1151 124.7816 52.7278 39.5631 175.7017 108 L 4.5450 5.9419 117.6265 52.0842 45.0772 174.4973 109 P 4.7268 0.0000 0.0000 63.1245 32.1631 175.6853 110 F 5.4599 9.2064 117.6158 55.2405 41.0380 174.7734 111 D 5.0609 9.0684 119.3533 53.1577 40.9983 175.4377 112 R 5.8930 8.1267 117.8131 53.7094 34.7008 174.0056 113 I 5.0380 8.5541 122.3006 59.6178 41.1368 174.0311 114 D 5.4249 8.9519 126.0630 52.4113 44.6400 175.0326 115 F 4.6675 8.9529 120.2751 55.7903 42.4198 173.6447 116 Q 4.6851 8.9517 125.7084 54.0979 32.1194 174.5533 117 D 4.8530 8.9331 126.2956 53.7730 39.8109 176.0298 118 A 4.2237 8.4839 126.2473 54.2739 18.6229 177.1028 119 P 4.3818 0.0000 0.0000 63.2499 31.8731 176.5937 120 G 3.3014 7.8381 106.6155 46.5740 0.0000 174.3235 121 N 4.6311 8.3067 113.6280 52.3800 39.1906 175.8150 122 G 3.8438 8.3350 106.2703 45.0248 0.0000 173.6516 123 D 4.4719 7.8361 119.3149 54.7134 41.8926 176.5725 124 R 4.4610 9.3479 122.0948 55.9800 32.0185 175.5351 125 I 5.2554 7.6622 120.3573 59.5009 41.4693 174.4373 126 W 5.1455 9.5397 126.0672 54.9951 31.6957 175.1478 127 I 5.2010 8.6022 123.9848 59.7938 40.4691 174.6052 128 K 4.8538 8.8693 124.0445 54.4567 36.9373 175.4062 129 N 4.0706 8.1640 116.3949 54.2525 36.6027 174.3981 130 L 4.9207 7.0740 120.1188 54.1917 44.0609 176.3252 131 V 5.0168 9.1501 125.9482 61.6498 35.5814 172.9776 132 H 5.3525 9.3306 127.3987 54.5753 32.1387 173.0843 133 S 4.9230 8.5024 119.6168 56.3761 64.6900 174.9010 134 T 3.9402 8.2197 116.4274 64.0067 68.8614 175.0043 135 G 3.8806 7.9125 112.2754 43.9876 0.0000 173.0646 136 S 4.2907 8.2757 114.5780 57.7220 65.1617 174.8215 137 A 4.1897 9.3732 124.6793 55.4787 17.8726 179.3849 138 D 4.3381 8.2037 114.8402 57.5774 41.2936 177.5339 139 D 4.7889 7.9514 116.6960 53.7191 41.2900 176.2224 140 F 3.8174 7.5175 122.2175 58.7524 39.4430 174.5938 141 V 4.0241 8.5544 129.3029 60.8481 31.2281 174.9620 142 D 4.6631 8.6433 128.2690 53.6384 40.7918 174.3293 143 P 4.2484 0.0000 0.0000 64.3713 31.8409 176.4962 144 I 4.0171 7.7249 124.7203 61.4537 37.1505 175.2403 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 R 8.25 4.26 0.00 1.84 1.97 0.00 3.18 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 5 A 8.27 4.05 0.88 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 6 T 9.18 4.36 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 7 Y 8.69 4.91 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 9.13 4.64 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 9 V 8.55 3.99 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 0.82 0.00 0.00 1.00 0.00 0.00 10 I 9.03 4.32 1.98 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 1.43 0.83 0.58 0.00 0.00 11 F 7.60 4.61 0.00 3.04 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 12 K 9.19 4.53 0.00 1.77 1.75 0.00 1.95 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.31 7.81 13 N 8.49 5.25 0.00 2.79 2.76 0.00 0.00 6.54 7.54 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 14 A 8.90 4.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.36 0.00 3.81 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 16 G 6.25 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 0.00 0.00 0.00 17 L 8.35 4.09 0.00 1.67 1.69 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.37 0.00 2.13 2.20 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 19 N 8.64 4.53 0.00 2.72 2.83 0.00 0.00 7.14 7.98 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 20 G 9.25 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 0.00 0.00 0.00 21 Y 7.86 4.89 0.00 3.12 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 22 D 9.61 5.02 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 5.51 0.00 2.82 2.79 0.00 0.00 6.81 7.95 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 24 W 9.34 4.95 0.00 3.19 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 25 G 8.40 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 26 W 8.43 5.00 0.00 3.49 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.07 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 28 C 7.77 5.29 0.00 2.68 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 29 T 8.37 4.66 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 1.11 0.00 0.00 30 L 8.39 5.08 0.00 1.40 1.22 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.19 4.63 0.00 3.73 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 32 Y 8.07 4.94 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.16 4.59 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.77 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.46 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 36 A 7.80 5.03 1.56 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 0.00 0.00 0.00 *38 I 8.20 3.91 1.67 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 1.00 0.68 0.24 0.00 0.00 39 I 8.35 4.34 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.07 0.74 0.00 0.00 40 N 8.77 4.87 0.00 2.57 2.59 0.00 0.00 6.73 7.58 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 41 P 0.00 4.71 0.00 2.10 1.83 0.00 3.58 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 2.16 1.97 0.00 42 Q 8.64 4.67 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 43 E 8.65 4.11 0.00 1.90 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 2.25 2.27 0.00 44 G 8.84 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 45 K 7.55 4.39 0.00 1.95 2.08 0.00 1.98 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.59 7.81 46 Y 7.56 3.79 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.75 3.52 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 0.00 0.00 0.00 0.00 48 A 6.72 4.84 0.33 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 49 V 8.05 4.14 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 0.63 0.00 0.00 1.15 0.00 0.00 50 S 9.58 5.15 0.00 3.95 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 51 L 9.34 4.86 0.00 1.83 1.84 1.13 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.19 4.78 0.00 1.15 1.11 0.00 0.97 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.30 0.74 7.81 53 R 8.58 3.28 0.00 1.62 1.62 0.00 2.82 0.00 0.00 2.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.00 54 N 8.52 4.34 0.00 2.54 2.77 0.00 0.00 6.75 8.21 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 55 S 7.74 4.15 0.00 3.67 3.58 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 56 G 9.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.52 4.44 0.00 3.55 3.54 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 58 F 8.28 4.71 0.00 1.51 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 0.00 0.00 0.00 59 R 8.36 4.75 0.00 1.67 1.82 0.00 3.33 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 60 G 10.43 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 61 G 8.76 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 62 S 9.16 5.11 0.00 3.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 9.12 5.28 0.00 1.70 1.79 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 R 9.17 5.02 0.00 0.86 1.75 0.00 3.42 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.16 0.00 65 F 8.16 5.58 0.00 3.11 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 9.17 5.73 0.00 2.71 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 *68 K 8.27 4.39 0.00 1.70 1.36 0.00 1.01 0.00 0.00 0.72 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.37 0.51 7.81 69 N 8.49 5.24 0.00 2.82 3.03 0.00 0.00 7.29 7.25 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 70 E 9.61 4.11 0.00 1.98 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 2.47 2.59 0.00 71 G 7.69 4.68 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 0.00 0.00 0.00 72 K 8.66 4.51 0.00 1.75 1.76 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.66 1.46 7.81 73 V 9.00 4.72 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 1.05 0.00 0.00 1.03 0.00 0.00 74 K 8.91 4.81 0.00 1.85 1.63 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.33 7.81 75 I 8.43 4.59 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.59 0.00 0.00 76 L 8.41 5.09 0.00 1.49 1.49 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.03 4.82 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 -0.06 0.00 0.00 0.46 0.00 0.00 78 E 9.12 5.19 0.00 2.02 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 0.00 2.26 2.37 0.00 79 N 9.22 5.21 0.00 3.21 2.93 0.00 0.00 7.34 7.27 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 80 S 9.28 4.40 0.00 4.05 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 81 E 8.57 4.03 0.00 2.12 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 0.00 2.35 2.34 0.00 82 A 8.41 4.19 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 83 D 7.51 4.45 0.00 2.87 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 84 E 8.41 4.85 0.00 2.23 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 2.36 2.38 0.00 85 K 8.75 4.95 0.00 1.64 1.64 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.45 7.81 86 F 8.32 4.47 0.00 1.85 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 0.00 0.00 0.00 87 E 8.10 4.07 0.00 1.54 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 2.17 2.12 0.00 88 V 8.51 4.06 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 0.77 0.00 0.00 0.90 0.00 0.00 89 E 7.46 4.74 0.00 2.07 1.69 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 2.19 2.28 0.00 90 T 8.55 4.95 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 1.19 0.00 0.00 91 I 8.82 4.39 1.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.49 0.49 0.00 0.00 92 S 8.66 4.63 0.00 3.80 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 93 P 0.00 4.57 0.00 1.95 2.19 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 94 S 9.03 4.69 0.00 3.90 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 95 D 8.94 4.41 0.00 2.68 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 96 E 7.31 4.57 0.00 1.80 1.79 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 2.21 2.23 0.00 97 Y 8.32 4.14 0.00 2.90 2.88 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 98 V 8.38 4.39 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 0.28 0.00 0.00 0.96 0.00 0.00 99 T 8.15 4.53 4.05 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 1.09 0.00 0.00 100 Y 8.44 4.41 0.00 1.69 2.49 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 0.00 101 I 8.18 4.53 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.27 0.52 0.00 0.00 102 L 8.86 4.81 0.00 1.57 1.57 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.93 4.85 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 9.25 4.23 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 0.71 0.00 0.00 0.87 0.00 0.00 105 D 8.71 4.86 0.00 2.91 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 0.00 106 F 7.39 3.44 0.00 2.16 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 0.00 107 D 8.12 4.76 0.00 2.69 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 0.00 108 L 5.94 4.55 0.00 0.27 1.19 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.73 0.00 1.90 1.92 0.00 3.50 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 110 F 9.21 5.46 0.00 3.33 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 9.07 5.06 0.00 2.54 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.13 5.89 0.00 1.86 1.91 0.00 3.37 0.00 0.00 3.43 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00 113 I 8.55 5.04 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.10 0.61 0.00 0.00 114 D 8.95 5.42 0.00 2.44 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 F 8.95 4.67 0.00 2.91 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 0.00 116 Q 8.95 4.69 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 117 D 8.93 4.85 0.00 2.77 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 0.00 118 A 8.48 4.22 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 0.00 119 P 0.00 4.38 0.00 2.06 2.15 0.00 4.05 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 120 G 7.84 3.30 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 0.00 121 N 8.31 4.63 0.00 2.66 2.78 0.00 0.00 7.25 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 0.00 122 G 8.34 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 0.00 123 D 7.84 4.47 0.00 2.60 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 0.00 124 R 9.35 4.46 0.00 1.59 0.66 0.00 2.64 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 125 I 7.66 5.26 1.72 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.90 0.00 0.00 126 W 9.54 5.15 0.00 3.01 3.08 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 0.00 127 I 8.60 5.20 1.92 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.47 0.78 0.00 0.00 128 K 8.87 4.85 0.00 1.65 1.63 0.00 1.20 0.00 0.00 1.45 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.63 1.52 7.81 129 N 8.16 4.07 0.00 2.82 2.79 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.07 4.92 0.00 1.39 0.75 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 131 V 9.15 5.02 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 1.19 0.00 0.00 1.03 0.00 0.00 132 H 9.33 5.35 0.00 2.62 2.81 0.00 5.57 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 0.00 133 S 8.50 4.92 0.00 3.47 3.71 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 0.00 134 T 8.22 3.94 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 135 G 7.91 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 0.00 136 S 8.28 4.29 0.00 4.08 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 9.37 4.19 1.43 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 0.00 0.00 138 D 8.20 4.34 0.00 2.70 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 0.00 139 D 7.95 4.79 0.00 2.77 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 0.00 140 F 7.52 3.82 0.00 3.12 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 0.00 141 V 8.55 4.02 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 0.70 0.00 0.00 0.98 0.00 0.00 142 D 8.64 4.66 0.00 2.85 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 0.00 143 P 0.00 4.25 0.00 2.13 1.91 0.00 3.91 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.51 0.00 144 I 7.72 4.02 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.