NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7289 8.2833 118.1262 52.9146 39.5278 174.2385 3 D 4.1768 8.1381 122.7193 56.9609 41.3372 176.4633 4 K 3.9271 8.9165 119.6098 59.6910 32.4084 179.0596 5 K 3.9994 7.9682 117.9429 59.6477 32.1309 179.3869 6 I 3.7664 7.9012 119.9087 63.7930 36.9295 178.2799 7 E 3.8887 8.6071 120.9694 59.1704 29.5145 178.4855 8 L 3.9896 8.3616 120.7306 58.2563 42.1994 178.9031 9 L 4.0827 8.2331 119.1467 58.1419 41.3751 179.7383 10 T 3.9597 7.9545 115.5803 66.9435 68.1841 177.0723 11 T 3.9902 7.7728 116.5231 66.6236 68.8366 175.9564 12 Y 4.2786 8.4720 121.8499 60.9938 38.8994 178.4155 13 L 4.2416 8.3916 119.8646 57.5344 41.4882 179.2313 14 S 4.4108 7.7584 112.8777 60.3526 63.1606 176.0521 15 L 4.1230 7.9330 123.7585 57.0117 41.2460 176.6577 16 Y 5.5199 7.3647 114.6671 56.5541 39.9124 175.0900 17 I 4.4681 8.0478 119.2871 58.9487 41.3119 173.5864 18 D 4.7161 8.8427 128.5450 55.2591 41.6594 177.1188 19 H 4.5348 9.0747 121.4916 58.8657 28.6209 177.2736 20 H 4.2309 8.6704 121.8640 59.4821 29.4346 177.3548 21 T 3.8823 7.4594 116.0046 66.4054 68.2630 176.5959 22 V 3.8504 7.7109 119.2951 65.7540 32.1049 176.9175 23 L 4.2464 8.1159 119.9500 58.2592 42.0791 178.1255 24 A 4.3190 8.1921 117.8262 52.8137 18.1421 176.8558 25 D 4.8142 8.0121 115.9015 55.0987 41.4402 177.5712 *27 Q 4.3784 7.9614 114.5375 55.5756 30.2078 175.1866 28 N 4.7462 8.1678 114.2432 52.2256 39.1388 174.0414 29 A 3.8969 7.9773 119.1552 53.3742 16.2634 178.8629 30 T 3.9421 7.8402 118.2923 65.8515 69.0359 175.3740 31 G 3.9553 7.8332 108.9646 46.3950 0.0000 173.7721 32 K 4.0205 7.9928 118.8429 56.5227 33.2934 175.5705 33 Y 5.0906 7.6926 115.4443 56.0561 41.1448 175.6332 34 V 4.2140 8.8221 124.7464 61.0562 32.9812 174.8665 35 V 4.3381 8.3304 128.8745 62.8439 33.2305 174.5258 36 L 5.0189 9.5250 127.4455 53.0718 45.0532 175.2795 37 D 3.3700 8.7067 125.0038 52.9048 40.5965 175.9786 38 V 3.9418 7.4067 117.2006 60.9902 32.6556 176.7517 39 R 4.1571 7.3700 120.3214 56.7311 30.3062 176.4933 40 N 4.5833 8.6086 116.9522 54.0031 39.5373 175.8686 41 A 4.1413 8.0569 121.3404 51.3678 19.1943 175.9711 42 P 4.4387 0.0000 0.0000 62.3688 33.4517 177.4898 43 A 4.0336 8.5732 120.2808 55.3532 17.8435 179.7415 44 Q 3.8994 7.9950 116.9856 59.5468 29.3333 178.2798 45 V 3.8390 7.7412 117.2874 66.0337 31.7756 177.6021 46 K 4.1102 8.1277 117.2286 58.3605 31.9892 176.0983 47 K 4.0934 8.7039 119.9564 56.0860 31.3668 175.8998 48 D 5.1340 7.5863 117.7569 51.6651 42.9087 173.8210 49 Q 4.6404 8.3386 116.2349 54.4910 32.6028 173.9619 50 I 3.7301 8.3924 120.1224 60.6079 38.1755 175.7872 51 K 3.7302 8.3930 127.3547 57.2070 32.3908 176.7369 52 G 3.8178 9.4509 117.9212 46.9521 0.0000 172.9570 53 A 4.8120 7.5151 118.8120 49.7402 21.6312 177.9725 54 I 4.0070 8.2418 123.4047 61.0197 38.2674 175.9992 55 A 4.4877 8.4157 128.4340 50.8782 20.0243 174.8859 *57 P 4.1640 0.0000 0.0000 62.0155 32.5096 178.1909 58 A 4.1960 8.6578 126.5874 54.6418 18.3578 178.4536 59 K 4.2503 7.9279 112.9890 57.9324 33.4130 177.0918 60 D 4.8068 8.3866 118.6187 53.1761 42.6840 177.0094 61 L 3.7790 8.2082 121.0933 58.2096 42.1444 178.3993 62 A 4.0822 7.8102 119.7365 55.6795 18.3130 179.5041 63 T 3.8891 7.9517 112.1041 65.9119 68.6606 175.1593 64 R 4.5588 7.4847 117.2984 55.5568 31.1946 177.0348 65 I 3.7535 7.9193 121.7030 64.0041 37.8815 177.8487 66 G 3.7516 7.9932 107.0696 47.3546 0.0000 173.6823 67 E 4.3807 8.3590 118.8871 56.2693 29.7524 175.9078 68 L 4.6487 7.3268 119.4928 52.8567 43.6437 175.3380 69 D 4.9659 9.4622 122.5887 52.0603 41.8567 174.9095 70 P 4.5991 0.0000 0.0000 65.1313 31.6537 176.4126 71 A 4.6971 8.0475 121.3616 51.3600 19.1226 176.5950 72 K 4.4602 7.6421 117.6655 56.3206 36.6676 176.3623 73 T 4.7196 8.0829 117.2270 62.4701 70.2911 173.3813 74 Y 5.0559 8.4989 125.2190 56.9615 40.1458 175.1342 75 V 4.8918 8.8495 122.7655 61.4168 34.3989 174.8103 76 V 4.9320 8.7251 121.8563 60.3310 34.1747 174.6995 77 Y 5.0786 8.0496 119.6515 55.9332 42.0066 173.7119 78 D 5.0257 8.3542 119.8659 52.8823 44.8696 175.3617 79 W 4.3561 9.2112 116.3903 59.9446 29.8107 176.5946 80 T 4.8215 8.0397 106.4143 60.0974 71.2375 173.6721 81 G 4.0761 8.4637 109.2273 46.0151 0.0000 174.5555 82 G 4.0224 7.7194 107.7599 45.5488 0.0000 174.1923 83 T 4.2989 7.8614 116.3950 63.7070 69.4086 173.5818 84 T 4.6617 8.1795 108.5129 60.7548 70.4051 175.8589 85 L 4.0500 8.3444 123.1012 57.8257 41.5754 178.8547 86 G 4.0740 8.3346 107.0612 47.3599 0.0000 175.8227 87 K 3.9531 7.9180 120.7424 58.8964 32.0294 179.4154 88 T 3.8116 8.2484 116.3902 66.5855 68.3069 176.4128 89 A 3.9057 8.6124 122.9308 55.1719 18.4481 179.3302 90 L 3.7622 7.8721 118.8251 58.0827 41.9123 179.1710 91 L 3.8766 7.9455 120.4060 58.0275 42.0724 178.9505 92 V 3.5463 7.3880 118.1466 66.2397 31.5297 177.4718 93 L 4.0582 8.0960 118.7626 58.2348 41.3012 179.5488 94 L 4.3245 8.1807 119.8888 57.4167 41.3570 180.0895 95 S 4.1518 7.9405 114.3467 61.2977 62.9300 175.7872 96 A 4.2480 8.0678 120.5997 52.7369 18.3361 178.2200 97 G 3.7872 7.6307 106.4291 44.6168 0.0000 174.2915 98 F 4.4668 7.7816 118.4569 57.3547 40.6727 173.9754 99 E 4.8109 8.9088 122.5820 54.9730 30.8924 174.6148 100 A 5.5208 7.8870 126.8545 50.7300 22.8804 174.1707 101 Y 4.9148 8.0991 114.7139 56.5677 42.9994 173.7918 102 E 4.7460 8.9030 123.5203 54.5324 31.5692 175.1114 103 L 4.3305 9.2370 129.7233 55.0833 43.3407 175.8922 104 A 4.4315 8.5514 130.0022 53.5984 18.8550 177.3792 105 G 3.9502 9.3095 111.8126 44.1063 0.0000 174.2858 106 A 3.9720 7.8499 122.4109 52.0330 18.5955 176.9465 107 L 3.9817 8.4788 115.5858 58.2371 41.8604 179.1418 108 E 4.1098 8.8108 120.1581 59.6909 29.3353 179.1673 109 G 3.7986 8.1321 103.0285 46.3799 0.0000 175.4848 110 W 4.1334 7.9828 130.6192 60.6151 30.5939 178.3266 111 K 4.3302 8.7771 117.5306 58.7900 31.8131 180.3974 112 G 3.8496 7.6887 107.6978 43.8966 0.0000 173.5832 *114 Q 4.0946 8.0109 114.5672 55.4148 30.2655 175.3028 115 L 4.5499 6.8926 115.6604 51.8851 44.5710 176.1152 116 P 4.4408 0.0000 0.0000 63.8517 32.0342 175.7376 117 V 4.9068 8.6187 123.8198 61.0182 33.8267 173.2108 118 E 4.7882 8.8167 124.3069 54.5229 32.1353 176.0821 119 T 4.5211 8.4358 112.0262 61.7801 69.7919 174.0210 120 L 4.3075 8.1304 120.0627 53.8635 42.6609 176.8677 121 A 3.7618 7.1405 119.8870 52.8527 15.8837 175.3471 122 D 4.5815 8.0843 118.8234 53.0432 41.6591 177.4343 123 L 3.9533 7.7728 125.2233 55.0436 43.5817 173.5642 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 4.73 0.00 2.77 2.85 0.00 0.00 7.00 7.19 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 3 D 8.14 4.18 0.00 2.80 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 4 K 8.92 3.93 0.00 1.80 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 5 K 7.97 4.00 0.00 1.96 1.85 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 6 I 7.90 3.77 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.93 0.00 0.00 7 E 8.61 3.89 0.00 2.15 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 0.00 2.33 2.39 0.00 8 L 8.36 3.99 0.00 1.82 1.84 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.23 4.08 0.00 1.80 1.75 0.92 1.00 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 10 T 7.95 3.96 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 1.25 0.00 0.00 11 T 7.77 3.99 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 1.28 0.00 0.00 12 Y 8.47 4.28 0.00 3.23 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 13 L 8.39 4.24 0.00 1.89 1.78 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.76 4.41 0.00 4.09 4.19 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 15 L 7.93 4.12 0.00 1.50 1.32 0.69 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.36 5.52 0.00 2.79 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 17 I 8.05 4.47 1.62 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 1.00 1.14 0.92 0.00 0.00 18 D 8.84 4.72 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.07 4.53 0.00 3.78 3.91 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.67 4.23 0.00 3.09 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.46 3.88 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 1.35 0.00 0.00 22 V 7.71 3.85 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 0.76 0.00 0.00 0.82 0.00 0.00 23 L 8.12 4.25 0.00 1.93 1.63 0.71 1.22 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 24 A 8.19 4.32 1.22 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 0.00 0.00 25 D 8.01 4.81 0.00 3.14 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 *27 Q 7.96 4.38 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 28 N 8.17 4.75 0.00 2.83 2.84 0.00 0.00 7.17 7.35 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 29 A 7.98 3.90 1.30 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 30 T 7.84 3.94 4.44 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 1.14 0.00 0.00 31 G 7.83 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 32 K 7.99 4.02 0.00 1.41 1.59 0.00 1.28 0.00 0.00 1.45 0.00 0.00 2.98 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.75 0.21 7.81 33 Y 7.69 5.09 0.00 3.07 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 34 V 8.82 4.21 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 1.13 0.00 0.00 0.77 0.00 0.00 35 V 8.33 4.34 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 0.86 0.00 0.00 36 L 9.53 5.02 0.00 1.45 1.34 0.51 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.71 3.37 0.00 2.52 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 38 V 7.41 3.94 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 0.48 0.00 0.00 0.77 0.00 0.00 39 R 7.37 4.16 0.00 1.56 1.76 0.00 2.53 0.00 0.00 2.97 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.22 0.00 40 N 8.61 4.58 0.00 2.74 2.88 0.00 0.00 6.93 7.35 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 41 A 8.06 4.14 1.55 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 0.00 0.00 42 P 0.00 4.44 0.00 2.20 2.03 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 43 A 8.57 4.03 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 44 Q 7.99 3.90 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 45 V 7.74 3.84 2.25 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 1.07 0.00 0.00 0.98 0.00 0.00 46 K 8.13 4.11 0.00 1.78 1.74 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.91 7.81 47 K 8.70 4.09 0.00 2.17 1.92 0.00 1.72 0.00 0.00 1.96 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 48 D 7.59 5.13 0.00 2.84 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 49 Q 8.34 4.64 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.03 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 50 I 8.39 3.73 1.29 0.00 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.36 0.29 0.00 0.00 51 K 8.39 3.73 0.00 1.91 1.85 0.00 2.11 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.52 7.81 52 G 9.45 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 53 A 7.52 4.81 1.31 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 0.00 0.00 54 I 8.24 4.01 1.87 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 1.18 0.45 0.87 0.00 0.00 55 A 8.42 4.49 1.15 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 0.00 0.00 *57 P 0.00 4.16 0.00 2.30 2.07 0.00 3.53 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 1.95 2.01 0.00 58 A 8.66 4.20 1.21 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 0.00 0.00 0.00 59 K 7.93 4.25 0.00 1.90 1.96 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.38 7.81 60 D 8.39 4.81 0.00 2.56 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 61 L 8.21 3.78 0.00 1.49 1.62 0.65 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.81 4.08 1.30 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 63 T 7.95 3.89 4.35 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 1.19 0.00 0.00 64 R 7.48 4.56 0.00 1.86 1.95 0.00 3.10 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 65 I 7.92 3.75 2.07 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.71 1.00 0.00 0.00 66 G 7.99 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 0.00 0.00 0.00 67 E 8.36 4.38 0.00 1.96 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 2.29 2.24 0.00 68 L 7.33 4.65 0.00 1.13 1.02 0.05 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 69 D 9.46 4.97 0.00 2.69 2.66 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 70 P 0.00 4.60 0.00 2.06 1.88 0.00 3.83 0.00 0.00 4.15 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 71 A 8.05 4.70 1.31 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 0.00 0.00 72 K 7.64 4.46 0.00 1.35 1.26 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.24 1.40 7.81 73 T 8.08 4.72 4.62 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 1.67 0.00 0.00 74 Y 8.50 5.06 0.00 2.90 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 75 V 8.85 4.89 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 0.99 0.00 0.00 0.89 0.00 0.00 76 V 8.73 4.93 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 0.64 0.00 0.00 0.92 0.00 0.00 77 Y 8.05 5.08 0.00 2.96 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 78 D 8.35 5.03 0.00 2.73 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 79 W 9.21 4.36 0.00 3.37 3.25 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 0.00 80 T 8.04 4.82 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 81 G 8.46 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 82 G 7.72 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 83 T 7.86 4.30 4.69 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 1.40 0.00 0.00 84 T 8.18 4.66 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 1.25 0.00 0.00 85 L 8.34 4.05 0.00 1.87 1.72 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.33 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.92 3.95 0.00 1.79 1.82 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.45 7.81 88 T 8.25 3.81 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 1.18 0.00 0.00 89 A 8.61 3.91 1.26 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 0.00 0.00 90 L 7.87 3.76 0.00 1.89 1.74 0.85 0.31 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 91 L 7.95 3.88 0.00 1.88 1.83 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.39 3.55 2.13 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 1.04 0.00 0.00 0.90 0.00 0.00 93 L 8.10 4.06 0.00 1.74 1.69 0.72 0.41 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 94 L 8.18 4.32 0.00 1.74 1.71 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.94 4.15 0.00 4.06 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 96 A 8.07 4.25 1.54 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 0.00 0.00 97 G 7.63 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 0.00 0.00 0.00 98 F 7.78 4.47 0.00 3.19 3.07 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 0.00 0.00 0.00 0.00 99 E 8.91 4.81 0.00 2.05 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 2.02 2.27 0.00 100 A 7.89 5.52 1.16 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 0.00 0.00 101 Y 8.10 4.91 0.00 2.82 2.80 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 0.00 102 E 8.90 4.75 0.00 1.76 1.22 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 2.15 2.15 0.00 103 L 9.24 4.33 0.00 1.77 1.60 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.55 4.43 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 0.00 105 G 9.31 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 0.00 106 A 7.85 3.97 1.55 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 0.00 0.00 107 L 8.48 3.98 0.00 1.91 2.00 0.85 0.73 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 0.00 108 E 8.81 4.11 0.00 2.33 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 0.00 2.40 2.45 0.00 109 G 8.13 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 0.00 0.00 0.00 110 W 7.98 4.13 0.00 3.55 3.14 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 0.00 111 K 8.78 4.33 0.00 1.94 1.92 0.00 2.02 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.62 7.81 112 G 7.69 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 0.00 0.00 0.00 *114 Q 8.01 4.09 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 115 L 6.89 4.55 0.00 0.76 0.53 0.53 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.44 0.00 2.24 2.28 0.00 3.52 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 2.42 2.10 0.00 117 V 8.62 4.91 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 0.97 0.00 0.00 1.01 0.00 0.00 118 E 8.82 4.79 0.00 2.07 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 2.30 2.30 0.00 119 T 8.44 4.52 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 1.23 0.00 0.00 120 L 8.13 4.31 0.00 1.60 1.74 0.96 0.92 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 0.00 121 A 7.14 3.76 1.26 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 0.00 0.00 122 D 8.08 4.58 0.00 2.77 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 0.00 123 L 7.77 3.95 0.00 1.83 1.70 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.