NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3934 8.3344 117.0993 57.8547 63.8169 172.9040 0 M 3.9232 8.3832 126.7643 54.0820 32.2620 174.9854 *4 R 4.6252 8.5984 123.8662 55.5543 32.9017 174.8641 5 V 4.3091 7.5091 117.3443 60.8628 33.4446 174.6788 6 D 4.6562 8.6016 127.5672 53.9499 41.6101 176.1971 7 Y 4.2859 8.8166 124.2951 59.7963 39.0901 176.1506 8 L 4.4510 7.7892 118.7025 52.7802 44.1029 176.4413 9 V 4.0502 8.3106 124.7956 61.9937 30.6011 174.5687 10 T 4.5588 8.2358 117.1098 61.2525 71.2318 173.6417 11 E 5.1065 8.0677 122.1147 54.4167 32.5211 174.6325 12 E 4.7014 8.8611 125.3353 54.9720 33.7896 173.0314 13 E 4.9486 8.7232 127.2701 55.0808 31.2906 174.9602 14 I 4.5918 9.0288 127.8995 59.4342 40.5485 174.1026 15 N 5.2407 8.8855 125.4257 51.6582 38.1978 174.3452 16 L 4.9227 8.9497 124.6025 52.9296 45.1391 175.6255 17 T 4.5684 7.9898 110.3660 59.3616 71.1128 173.8331 18 R 3.9904 8.5391 126.0441 56.7331 31.1650 176.4087 19 G 4.1653 8.7189 114.9183 43.2103 0.0000 172.4158 20 P 4.2472 0.0000 0.0000 65.3549 31.2102 177.7620 21 S 4.5345 8.0548 111.2596 58.1138 63.5458 174.3810 22 G 3.8273 7.9189 107.8732 44.2513 0.0000 174.3119 23 L 4.0092 8.2878 117.0402 56.0181 42.1967 177.7016 24 G 3.8621 9.5597 106.8353 45.0540 0.0000 172.3613 25 F 5.3622 7.2500 111.4323 55.5016 41.0926 172.9587 26 N 5.1317 9.3402 117.7355 51.6110 41.1353 174.0302 27 I 5.2488 8.2754 114.3576 59.4219 40.7610 174.5410 28 V 4.5630 9.0023 116.1322 60.0763 36.3599 175.0703 29 G 4.4803 8.5269 107.4774 45.0042 0.0000 172.0611 30 G 4.1658 8.7909 103.6448 43.5982 0.0000 175.2996 31 T 3.8780 8.5571 110.5811 63.8698 68.7613 174.9986 32 D 4.8133 8.0175 119.9080 53.1711 40.2977 176.4218 33 Q 4.1260 7.8311 117.6483 55.3908 29.2129 176.9540 34 Q 4.0452 7.8242 116.7150 58.4486 29.4181 178.1265 35 Y 4.2802 7.0589 115.0461 59.1544 38.5919 177.2353 36 V 3.7326 6.9559 120.5617 65.4948 31.7140 175.6742 37 S 4.5231 7.2969 110.5455 56.9226 65.0995 173.0638 38 N 4.6158 8.5675 120.2990 53.9505 38.5209 175.4001 39 D 4.6413 8.0888 118.0634 51.5210 41.8491 174.1051 40 S 4.2445 8.6959 119.1895 57.4975 63.5735 174.5881 41 G 3.8687 7.9284 112.1380 46.2759 0.0000 169.9924 42 I 4.9689 7.4570 119.8892 60.0153 39.3991 174.6736 43 Y 5.1412 9.0331 124.1385 55.9515 42.1448 175.1569 44 V 4.4698 8.8864 123.8008 62.9230 31.7918 176.5518 45 S 4.7990 9.0253 123.8415 59.9993 64.3081 174.6588 46 R 4.8554 7.7099 119.7174 55.5950 33.5049 173.4281 47 I 4.6450 8.6688 127.0336 59.8641 38.7434 175.5983 48 K 4.2244 9.0263 127.8841 55.6325 33.2327 176.5433 49 E 4.0258 8.8671 125.4514 57.9937 29.8206 176.3274 50 N 4.2414 8.9726 121.3306 54.1718 36.5612 174.9959 51 G 4.0396 7.6240 106.2347 43.3080 0.0000 174.1459 52 A 3.9953 8.4862 120.5067 55.4083 18.4165 179.8010 53 A 3.9433 8.1625 118.9575 55.1026 18.1852 179.7185 54 A 3.9258 7.8929 117.9068 55.4791 18.6932 179.4221 55 L 4.0838 7.9115 116.2282 57.9138 41.7308 178.9243 56 D 4.4462 8.1265 117.5939 55.7151 41.2721 177.3541 57 G 4.0242 8.3404 106.9036 45.2697 0.0000 174.4547 58 R 4.1680 7.5688 117.8969 58.0698 30.7483 177.2999 59 L 4.2016 7.7036 118.7954 54.9557 42.8985 175.7566 60 Q 4.7239 9.1544 124.1499 53.5034 31.7759 174.9819 61 E 4.3400 8.4559 120.1396 58.1287 29.9533 178.4206 62 G 4.0835 9.2711 112.5474 45.0433 0.0000 173.6065 63 D 4.6642 7.9795 120.2543 54.6150 42.2467 175.2918 64 K 4.1805 8.8135 124.1093 55.0144 33.9234 175.2142 65 I 4.4008 8.3961 129.5060 60.2523 37.3224 175.7797 66 L 4.2910 9.0580 129.6414 57.4370 42.8437 177.4884 67 S 4.9899 7.7230 110.7854 57.1428 66.5168 173.7682 68 V 4.5779 8.3252 121.1585 62.3386 33.3017 175.4990 69 N 4.2119 10.2731 125.8870 54.3695 36.6042 175.6888 70 G 3.8439 8.3062 104.6008 45.5086 0.0000 173.8115 71 Q 4.1965 7.9726 122.5896 54.6674 29.2653 174.8426 72 D 4.8859 8.5072 125.7110 54.7127 41.5388 176.5627 73 L 4.2790 8.5453 122.2314 55.5514 42.4392 177.2968 74 K 4.0892 7.7344 118.5222 57.9916 32.7907 176.9651 75 N 4.4049 8.8800 118.8846 53.3373 36.5675 173.8800 76 L 4.5122 7.3880 119.1918 53.1344 43.2045 176.5461 77 L 4.4734 8.2681 122.4935 54.7379 43.6442 177.7488 78 H 4.0317 9.3553 121.6066 59.9468 29.7114 177.5361 79 Q 4.0498 8.1628 120.4621 59.3265 28.9402 177.7445 80 D 4.3287 8.1275 119.3296 57.0320 40.8613 178.4924 81 A 3.9189 8.0574 121.5174 55.0354 18.4635 179.5364 82 V 3.6977 7.8452 116.8476 66.6540 31.4860 178.0258 83 D 4.3972 8.4019 118.5218 57.0494 40.3764 178.4293 84 L 3.8545 7.7137 119.9786 58.2806 42.5359 178.6463 85 F 4.2652 8.1116 117.5217 60.8670 38.6678 178.0073 86 R 4.0252 7.9826 116.3476 58.9855 29.9638 177.8635 87 N 4.5808 8.1225 114.0997 54.4627 39.2385 175.7553 88 A 4.2567 7.7029 120.1160 54.2907 19.2636 178.4553 89 G 3.8123 8.2519 105.3312 44.5833 0.0000 172.2287 90 Y 4.4296 8.7312 118.3609 60.6525 39.7254 176.4117 91 A 4.6612 7.8821 119.6576 50.7111 20.3442 176.4253 92 V 4.4485 8.7672 122.3921 61.1135 35.1543 174.0239 93 S 5.0743 9.3603 123.3464 56.9402 63.9970 172.4163 94 L 5.1283 9.1145 128.1310 53.2021 44.1480 175.6930 95 R 4.9837 8.5159 122.3812 54.6901 32.2659 175.7990 96 V 4.8601 8.8740 117.1404 59.3989 36.1285 174.4214 97 Q 4.8993 8.6880 124.0809 54.5191 30.9021 174.9610 98 H 5.3341 9.1658 124.2174 54.8441 29.8010 175.5425 99 R 4.0780 8.6118 120.9068 56.9907 30.4988 175.5325 100 E 4.6459 8.7421 125.6220 54.5021 32.5603 174.3202 101 S 4.7658 8.5892 121.6817 56.5726 65.4722 173.4503 102 S 4.4332 8.5910 119.5351 57.6471 63.0087 173.8809 103 I 4.1057 8.2756 127.1943 61.5010 37.3400 175.3076 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 -1 S 8.33 4.39 0.00 3.65 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 0 M 8.38 3.92 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.64 0.00 *4 R 8.60 4.63 0.00 1.87 2.00 0.00 3.42 0.00 0.00 3.29 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 5 V 7.51 4.31 2.10 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 0.87 0.00 0.00 0.94 0.00 0.00 6 D 8.60 4.66 0.00 2.73 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 7 Y 8.82 4.29 0.00 2.83 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 8 L 7.79 4.45 0.00 1.65 1.52 1.00 0.61 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 9 V 8.31 4.05 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 0.84 0.00 0.00 0.92 0.00 0.00 10 T 8.24 4.56 4.26 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 1.22 0.00 0.00 11 E 8.07 5.11 0.00 1.93 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 2.13 2.44 0.00 12 E 8.86 4.70 0.00 2.06 1.64 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 2.19 2.25 0.00 13 E 8.72 4.95 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 14 I 9.03 4.59 1.84 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 1.26 0.49 0.89 0.00 0.00 15 N 8.89 5.24 0.00 2.69 2.83 0.00 0.00 6.15 7.79 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 16 L 8.95 4.92 0.00 1.60 1.60 1.05 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.99 4.57 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 0.94 0.00 0.00 18 R 8.54 3.99 0.00 2.03 2.12 0.00 3.35 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 19 G 8.72 4.17 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 20 P 0.00 4.25 0.00 2.06 2.15 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 21 S 8.05 4.53 0.00 3.85 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 22 G 7.92 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 23 L 8.29 4.01 0.00 1.32 1.87 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.56 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 0.00 0.00 0.00 25 F 7.25 5.36 0.00 3.06 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 26 N 9.34 5.13 0.00 2.69 2.77 0.00 0.00 6.84 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 27 I 8.28 5.25 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.97 0.00 0.00 28 V 9.00 4.56 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 0.80 0.00 0.00 1.01 0.00 0.00 29 G 8.53 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.79 4.17 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 31 T 8.56 3.88 4.25 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 0.00 0.00 0.00 1.27 0.00 0.00 32 D 8.02 4.81 0.00 2.85 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 33 Q 7.83 4.13 0.00 1.78 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 34 Q 7.82 4.05 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.11 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 35 Y 7.06 4.28 0.00 3.10 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 36 V 6.96 3.73 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 0.61 0.00 0.00 0.75 0.00 0.00 37 S 7.30 4.52 0.00 3.37 3.57 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 0.00 0.00 0.00 0.00 38 N 8.57 4.62 0.00 2.75 2.84 0.00 0.00 6.63 8.06 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 39 D 8.09 4.64 0.00 2.61 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 40 S 8.70 4.24 0.00 4.03 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 41 G 7.93 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 42 I 7.46 4.97 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 1.10 0.00 0.00 43 Y 9.03 5.14 0.00 2.84 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 44 V 8.89 4.47 2.18 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 0.82 0.00 0.00 0.60 0.00 0.00 45 S 9.03 4.80 0.00 3.96 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 46 R 7.71 4.86 0.00 1.90 1.79 0.00 3.22 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 47 I 8.67 4.64 1.89 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 1.35 0.97 0.94 0.00 0.00 48 K 9.03 4.22 0.00 1.77 1.74 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.52 7.81 49 E 8.87 4.03 0.00 1.91 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 2.30 2.42 0.00 50 N 8.97 4.24 0.00 2.93 2.94 0.00 0.00 7.02 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 51 G 7.62 4.04 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 52 A 8.49 4.00 1.41 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 0.00 0.00 53 A 8.16 3.94 1.52 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 54 A 7.89 3.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.91 4.08 0.00 1.64 1.76 0.94 1.17 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 56 D 8.13 4.45 0.00 2.64 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 57 G 8.34 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 58 R 7.57 4.17 0.00 1.86 1.99 0.00 3.32 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 59 L 7.70 4.20 0.00 1.45 1.44 0.69 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 9.15 4.72 0.00 2.23 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 61 E 8.46 4.34 0.00 2.04 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 2.42 2.32 0.00 62 G 9.27 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 63 D 7.98 4.66 0.00 2.63 2.52 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 64 K 8.81 4.18 0.00 1.38 1.44 0.00 1.42 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.01 0.41 7.81 65 I 8.40 4.40 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 1.02 0.00 0.00 66 L 9.06 4.29 0.00 1.61 1.65 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.72 4.99 0.00 3.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.33 4.58 1.76 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 0.88 0.00 0.00 0.38 0.00 0.00 69 N 10.27 4.21 0.00 2.76 2.81 0.00 0.00 7.13 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 70 G 8.31 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 71 Q 7.97 4.20 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 72 D 8.51 4.89 0.00 2.67 2.55 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 0.00 0.00 0.00 0.00 73 L 8.55 4.28 0.00 1.66 1.67 0.95 0.25 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 74 K 7.73 4.09 0.00 1.84 1.80 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.45 7.81 75 N 8.88 4.40 0.00 2.90 3.03 0.00 0.00 7.06 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.39 4.51 0.00 1.77 1.56 0.86 1.03 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 77 L 8.27 4.47 0.00 1.71 1.63 0.94 1.08 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 78 H 9.36 4.03 0.00 3.47 3.37 0.00 5.78 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 79 Q 8.16 4.05 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 80 D 8.13 4.33 0.00 2.87 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 81 A 8.06 3.92 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 82 V 7.85 3.70 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 83 D 8.40 4.40 0.00 2.87 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 84 L 7.71 3.85 0.00 1.73 1.65 0.76 0.25 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 85 F 8.11 4.27 0.00 3.25 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 86 R 7.98 4.03 0.00 1.98 2.02 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 87 N 8.12 4.58 0.00 2.78 2.99 0.00 0.00 7.20 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 88 A 7.70 4.26 1.40 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 0.00 0.00 89 G 8.25 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.73 4.43 0.00 3.09 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 91 A 7.88 4.66 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.77 4.45 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.99 0.00 0.00 93 S 9.36 5.07 0.00 3.92 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 94 L 9.11 5.13 0.00 1.56 1.55 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.52 4.98 0.00 1.74 1.79 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 96 V 8.87 4.86 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 0.66 0.00 0.00 0.75 0.00 0.00 97 Q 8.69 4.90 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 98 H 9.17 5.33 0.00 3.13 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.61 4.08 0.00 1.87 1.88 0.00 3.19 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 100 E 8.74 4.65 0.00 1.92 1.78 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 2.20 2.32 0.00 101 S 8.59 4.77 0.00 3.87 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 0.00 102 S 8.59 4.43 0.00 3.84 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 0.00 103 I 8.28 4.11 1.88 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 1.44 1.06 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.