NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5190 8.2827 119.1728 53.1288 39.2417 174.4815 3 E 3.7899 8.5449 127.8300 58.8124 29.6153 176.9573 4 R 3.9573 8.2287 117.9416 59.4225 30.6555 177.7971 5 Y 4.5107 8.3140 119.3874 60.7100 38.7582 177.7903 6 E 3.8183 8.0286 119.1335 59.4299 29.5897 179.4825 7 K 3.9736 8.4198 118.7805 59.2590 32.0271 179.1819 8 F 4.2080 8.0561 121.0720 61.4241 39.3841 177.2399 9 L 3.8739 7.7693 118.3884 57.5416 41.1159 179.5063 10 R 3.8460 7.8227 117.7617 59.7405 30.1897 178.4071 11 Q 4.0613 7.9309 116.1262 58.0576 28.9660 176.4411 12 H 4.7582 8.1516 114.5561 53.7798 31.5402 172.3829 13 Y 5.2119 8.1910 120.2223 56.1443 41.8383 174.4337 14 D 4.1260 8.2029 124.9794 53.3879 42.7486 175.3696 15 A 4.2276 8.0972 128.1841 53.4518 18.4806 177.6587 16 K 4.3316 7.4973 120.0228 54.1300 32.8404 174.0484 17 P 4.6581 0.0000 0.0000 61.6395 32.5663 175.7535 18 Q 4.2188 7.9411 118.6830 55.6908 31.6615 172.9904 19 G 4.2370 8.8519 115.9814 45.3139 0.0000 174.7184 20 R 2.7414 6.8594 115.6202 56.5270 27.8941 175.0837 21 D 5.2467 7.2302 117.8956 51.6755 42.5044 175.6638 22 D 4.4810 8.8466 117.2434 58.2377 40.8327 178.7278 23 R 3.9952 8.1627 118.5099 59.3626 30.0157 177.7729 24 Y 4.0380 8.1835 119.5858 60.6874 38.6923 177.3706 25 C 4.1200 8.0990 117.2934 60.0443 38.6288 175.9149 26 E 4.0401 8.0895 119.7174 59.5045 28.9547 179.7230 27 S 4.1605 7.9092 114.8976 61.6974 62.9034 176.5977 28 M 3.6580 7.7154 121.3991 58.6687 31.5571 178.7041 29 M 4.0721 8.0603 119.0731 58.2101 32.1061 178.9137 30 K 3.9267 7.7506 119.8905 59.4576 32.2247 178.5712 31 E 3.9363 8.0990 118.5884 58.9671 29.6005 178.0168 32 R 4.2690 8.1390 115.5409 54.9974 30.9194 176.2317 33 K 3.8564 7.7753 116.5911 58.2713 29.7370 175.9393 34 L 4.7308 8.3269 114.6187 54.9371 42.3867 178.3488 35 T 4.7286 8.0449 106.5657 61.3804 69.1790 174.7916 36 S 4.5110 7.6085 117.1283 55.9403 62.7881 171.6906 37 P 4.6781 0.0000 0.0000 61.9523 33.0149 177.1057 38 C 4.4523 8.5035 115.9186 57.0025 40.2179 174.0694 39 K 4.2678 8.7380 126.9492 56.2359 32.7225 176.1508 40 D 4.6144 8.9011 125.9735 57.0322 41.9698 175.7712 41 V 5.0439 7.6187 115.6745 61.3911 35.1281 173.6066 42 N 5.0096 9.0575 124.6669 52.7875 42.7326 172.9118 43 T 4.9328 8.5961 122.1359 61.7489 71.7831 172.8700 44 F 4.6907 9.0239 124.6583 55.8483 41.8270 174.7076 45 I 4.5907 8.7999 124.0559 60.2152 39.2722 174.8779 46 H 5.4237 8.3222 123.0799 53.5070 31.3700 174.0492 47 G 4.0753 8.4159 102.7229 44.8805 0.0000 173.1308 48 T 5.1326 8.4718 111.0800 59.3321 71.5308 175.6956 49 K 3.9382 8.4351 120.4551 58.7723 32.2613 179.7136 50 K 4.0660 8.1091 118.7130 59.4418 31.7895 178.6756 51 N 4.6227 7.7755 115.1439 55.6936 38.6615 177.2485 52 I 4.0897 7.4576 121.7945 64.9005 37.3337 179.1071 53 R 3.9382 8.1445 121.0658 60.9762 29.1940 180.5458 54 A 4.3081 7.9495 119.2571 55.1919 17.8270 179.6257 55 I 4.0928 7.5274 118.3740 64.1485 36.8916 177.0406 56 C 4.5650 8.3133 116.2033 58.7711 40.7714 174.5148 57 G 4.0322 8.2070 111.1129 44.6251 0.0000 174.6211 58 K 4.0154 8.9047 118.9731 59.9609 32.2484 178.9387 59 K 4.6332 7.9699 117.5001 56.1641 32.0670 176.8117 60 G 4.3276 8.2343 106.1570 45.5499 0.0000 172.9028 61 S 5.0078 8.8354 114.6764 55.7598 67.7291 172.3511 62 P 4.7008 0.0000 0.0000 63.0723 31.7843 175.9343 63 Y 4.5596 9.2026 123.7782 54.3710 37.7788 174.5115 64 G 3.7279 8.0432 106.9385 43.8850 0.0000 170.3100 65 E 4.1622 8.5905 116.6935 58.3645 29.7555 177.3329 66 N 4.7109 8.2581 112.8880 52.8662 40.1614 173.8108 67 F 5.0921 8.0867 116.2791 55.5678 43.3535 174.0860 68 R 5.1802 9.0146 118.1034 54.5418 34.0979 174.6698 69 I 4.8092 8.6529 122.3966 58.8926 41.0820 175.0770 70 S 4.7956 8.6555 122.8116 58.5847 63.5157 174.0072 71 N 4.9037 8.6988 118.5292 54.7855 38.9205 175.1038 72 S 4.9411 8.0307 111.7872 55.8557 66.5291 172.0337 73 P 4.1035 0.0000 0.0000 62.1582 32.0817 175.7419 74 F 4.6753 8.7246 119.4468 55.4681 43.3243 174.2885 75 Q 4.9014 8.9294 123.8035 56.2449 30.3014 174.6741 76 I 5.0584 9.0590 118.8438 59.7603 41.9013 173.8471 77 T 5.1236 8.9124 120.3150 62.3358 71.7644 172.9797 78 T 4.9719 9.0622 123.8976 62.3714 70.9781 173.1172 79 C 5.4364 9.5610 124.0871 55.7327 41.8955 172.8118 80 T 5.2946 8.7858 121.1938 61.7842 70.6014 173.8484 81 H 4.1127 9.1408 126.7516 55.8786 30.5936 176.1882 82 S 4.3118 8.1810 122.2023 57.8944 60.3112 173.5829 83 R 3.6214 7.1494 119.1414 58.1741 29.0299 173.9400 84 G 3.0866 9.5528 110.0961 46.1996 0.0000 171.5605 85 S 4.0956 8.5501 124.4385 58.3900 58.3372 168.2787 86 P 4.4920 0.0000 0.0000 63.6674 31.5500 177.8604 *87 W 4.2555 7.5711 119.9324 56.1283 28.7521 179.3792 88 P 4.2526 0.0000 0.0000 66.1583 30.7934 175.1700 89 P 4.4105 0.0000 0.0000 62.2051 30.5290 176.0080 90 C 4.5779 8.6471 122.3126 55.5458 37.0774 173.9266 91 G 4.0628 8.2230 112.6429 45.7370 0.0000 171.7361 92 Y 5.5471 8.5326 119.6256 56.4100 42.6145 174.6172 93 R 4.9930 9.1001 119.5284 54.5952 34.3404 174.5974 94 A 5.3148 8.8876 124.3620 51.0169 21.2962 176.8212 95 F 4.8196 8.9749 123.9863 57.4712 42.6166 174.2375 96 K 4.6747 8.2732 130.0507 54.7054 32.9277 171.7780 97 D 4.4941 8.6990 122.6483 52.7454 45.7631 173.8831 98 F 5.4973 8.5562 121.9444 55.8307 41.0769 173.0590 99 R 4.7334 8.0837 123.5708 54.1077 35.0974 173.7527 100 Y 4.7127 8.6934 117.7937 57.7068 38.9371 175.3585 101 I 4.6597 8.6491 116.0686 59.0754 41.5424 174.3930 102 V 4.5047 7.6897 122.4059 61.0693 33.8984 174.2948 103 I 5.2079 8.4452 120.5802 59.0168 41.5742 173.7026 104 A 4.6935 8.9745 123.3603 50.1803 21.3788 174.8880 105 C 5.4085 8.5621 118.1394 55.1118 44.1407 173.6841 106 E 4.5239 9.1687 120.8614 55.6545 31.9381 175.8873 107 D 4.4282 10.0528 125.1223 55.2690 38.5710 174.9446 108 G 3.6784 8.5703 105.7799 44.7622 0.0000 173.8537 109 W 4.5272 7.8903 119.9289 53.6881 31.7699 173.5138 110 P 4.5812 0.0000 0.0000 62.9064 31.2162 176.6730 111 V 4.6126 8.4425 113.0183 61.1262 34.4497 175.1321 112 H 5.1911 7.9590 119.2616 54.7162 33.4933 171.4541 113 F 5.0037 8.7479 126.6112 56.4137 41.7595 174.2877 114 D 4.5382 8.2458 126.7676 53.2637 40.5301 176.6772 115 E 4.2983 8.9044 127.6285 59.2333 29.7394 179.2734 116 S 4.2223 8.2453 113.9463 61.1109 62.9316 176.0924 117 F 4.2784 7.7490 123.1329 60.0352 39.0225 175.4982 118 I 4.2711 6.9836 109.5579 60.2976 37.7019 176.6076 119 S 4.2207 7.8315 118.2392 60.8487 62.9563 172.4951 120 P 4.3874 0.0000 0.0000 62.5379 31.3670 175.4170 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 N 8.28 4.52 0.00 2.14 2.39 0.00 0.00 6.71 6.77 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 3 E 8.54 3.79 0.00 2.18 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 2.37 2.52 0.00 4 R 8.23 3.96 0.00 2.06 2.02 0.00 3.20 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 5 Y 8.31 4.51 0.00 2.89 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 6 E 8.03 3.82 0.00 2.24 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 2.60 2.48 0.00 7 K 8.42 3.97 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.70 7.81 8 F 8.06 4.21 0.00 3.17 3.33 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 9 L 7.77 3.87 0.00 1.77 1.68 0.42 0.52 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 10 R 7.82 3.85 0.00 1.88 2.10 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 11 Q 7.93 4.06 0.00 1.90 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 12 H 8.15 4.76 0.00 2.04 2.52 0.00 5.56 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.19 5.21 0.00 2.89 2.91 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 14 D 8.20 4.13 0.00 2.58 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 0.00 0.00 0.00 0.00 15 A 8.10 4.23 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 16 K 7.50 4.33 0.00 1.77 1.78 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.33 7.81 17 P 0.00 4.66 0.00 1.58 1.89 0.00 3.16 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 1.67 1.25 0.00 18 Q 7.94 4.22 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 19 G 8.85 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 0.00 0.00 0.00 0.00 20 R 6.86 2.74 0.00 1.67 1.73 0.00 2.87 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.16 0.00 21 D 7.23 5.25 0.00 2.95 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 22 D 8.85 4.48 0.00 2.85 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 23 R 8.16 4.00 0.00 1.92 2.08 0.00 3.19 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 24 Y 8.18 4.04 0.00 3.11 3.28 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 25 C 8.10 4.12 0.00 3.30 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.09 4.04 0.00 2.10 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 2.58 2.68 0.00 27 S 7.91 4.16 0.00 3.74 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 28 M 7.72 3.66 0.00 1.14 1.48 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.60 0.00 29 M 8.06 4.07 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.44 0.00 30 K 7.75 3.93 0.00 1.85 1.92 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 31 E 8.10 3.94 0.00 1.96 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 2.25 2.29 0.00 32 R 8.14 4.27 0.00 1.82 2.04 0.00 3.60 0.00 0.00 3.17 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 33 K 7.78 3.86 0.00 1.94 1.89 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.38 7.81 34 L 8.33 4.73 0.00 1.57 1.59 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.04 4.73 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 1.37 0.00 0.00 36 S 7.61 4.51 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 37 P 0.00 4.68 0.00 2.19 2.13 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 38 C 8.50 4.45 0.00 2.74 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 39 K 8.74 4.27 0.00 1.85 1.75 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.40 7.81 40 D 8.90 4.61 0.00 2.81 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 41 V 7.62 5.04 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 0.96 0.00 0.00 1.00 0.00 0.00 42 N 9.06 5.01 0.00 2.73 2.34 0.00 0.00 6.91 7.32 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 43 T 8.60 4.93 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 1.16 0.00 0.00 44 F 9.02 4.69 0.00 2.97 2.86 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 45 I 8.80 4.59 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.98 1.07 0.00 0.00 46 H 8.32 5.42 0.00 3.19 3.21 0.00 5.58 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 47 G 8.42 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 48 T 8.47 5.13 4.36 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 1.30 0.00 0.00 49 K 8.44 3.94 0.00 1.84 1.92 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.93 0.27 7.81 50 K 8.11 4.07 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.59 7.81 51 N 7.78 4.62 0.00 3.05 3.07 0.00 0.00 7.08 7.33 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 52 I 7.46 4.09 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 1.50 1.54 1.13 0.00 0.00 53 R 8.14 3.94 0.00 1.85 1.94 0.00 3.27 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 54 A 7.95 4.31 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 55 I 7.53 4.09 1.93 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.87 0.00 0.00 56 C 8.31 4.56 0.00 2.87 2.97 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 57 G 8.21 4.03 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 58 K 8.90 4.02 0.00 1.78 1.88 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.41 7.81 59 K 7.97 4.63 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.46 7.81 60 G 8.23 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.84 5.01 0.00 3.75 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 62 P 0.00 4.70 0.00 2.08 2.06 0.00 3.71 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 2.00 1.96 0.00 63 Y 9.20 4.56 0.00 2.74 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 64 G 8.04 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 0.00 0.00 0.00 65 E 8.59 4.16 0.00 1.99 2.02 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 2.29 2.31 0.00 66 N 8.26 4.71 0.00 2.64 2.55 0.00 0.00 6.70 7.45 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 67 F 8.09 5.09 0.00 3.21 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 68 R 9.01 5.18 0.00 1.64 1.74 0.00 3.22 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 69 I 8.65 4.81 1.29 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 1.13 1.23 0.91 0.00 0.00 70 S 8.66 4.80 0.00 4.32 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 71 N 8.70 4.90 0.00 2.67 2.98 0.00 0.00 6.70 7.43 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 72 S 8.03 4.94 0.00 3.68 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.10 0.00 0.49 0.96 0.00 3.27 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 0.00 74 F 8.72 4.68 0.00 2.85 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 75 Q 8.93 4.90 0.00 2.44 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 76 I 9.06 5.06 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 1.05 0.00 0.00 77 T 8.91 5.12 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 78 T 9.06 4.97 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 79 C 9.56 5.44 0.00 2.84 2.89 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 0.00 0.00 0.00 80 T 8.79 5.29 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 1.26 0.00 0.00 81 H 9.14 4.11 0.00 3.23 3.28 0.00 5.94 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.18 4.31 0.00 3.50 3.68 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 83 R 7.15 3.62 0.00 1.77 1.91 0.00 3.21 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 84 G 9.55 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 0.00 0.00 0.00 85 S 8.55 4.10 0.00 3.99 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 86 P 0.00 4.49 0.00 2.16 2.14 0.00 3.79 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 1.99 1.96 0.00 *87 W 7.57 4.26 0.00 2.53 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 0.00 0.00 0.00 0.00 88 P 0.00 4.25 0.00 2.04 2.15 0.00 3.64 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 2.04 2.13 0.00 89 P 0.00 4.41 0.00 2.18 2.11 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 90 C 8.65 4.58 0.00 3.20 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 91 G 8.22 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.53 5.55 0.00 2.89 2.86 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 93 R 9.10 4.99 0.00 1.81 1.85 0.00 3.13 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 94 A 8.89 5.31 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 95 F 8.97 4.82 0.00 3.18 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 96 K 8.27 4.67 0.00 1.58 1.57 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.61 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.32 1.00 7.81 97 D 8.70 4.49 0.00 2.49 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 98 F 8.56 5.50 0.00 2.91 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.08 4.73 0.00 1.79 1.85 0.00 3.40 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 100 Y 8.69 4.71 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.65 4.66 1.82 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.51 1.11 0.00 0.00 102 V 7.69 4.50 1.49 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 1.00 0.00 0.00 -0.92 0.00 0.00 103 I 8.45 5.21 1.89 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 1.08 0.47 1.00 0.00 0.00 104 A 8.97 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.56 5.41 0.00 2.73 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 0.00 106 E 9.17 4.52 0.00 1.94 1.84 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 2.19 2.20 0.00 107 D 10.05 4.43 0.00 2.91 2.83 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 0.00 108 G 8.57 3.68 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 0.00 109 W 7.89 4.53 0.00 3.24 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.58 0.00 1.24 1.37 0.00 3.83 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 111 V 8.44 4.61 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 0.74 0.00 0.00 0.93 0.00 0.00 112 H 7.96 5.19 0.00 3.27 3.10 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.75 5.00 0.00 3.03 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 0.00 114 D 8.25 4.54 0.00 2.67 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 0.00 0.00 0.00 115 E 8.90 4.30 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 116 S 8.25 4.22 0.00 4.06 4.15 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 0.00 117 F 7.75 4.28 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 6.98 4.27 1.97 0.00 0.00 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 1.58 0.97 1.05 0.00 0.00 119 S 7.83 4.22 0.00 4.03 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 0.00 120 P 0.00 4.39 0.00 2.14 2.01 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.