NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7075 8.3549 109.6737 44.8728 0.0000 173.8348 2 F 4.3624 7.5418 118.0200 53.7281 39.8728 173.1737 3 P 4.4108 0.0000 0.0000 62.9581 32.6741 175.9404 4 I 4.4666 8.1527 121.3575 58.9115 36.9940 173.9950 5 P 4.2994 0.0000 0.0000 63.3930 31.3025 175.2778 6 D 4.8534 8.4691 119.9237 51.8984 42.9953 173.1240 7 P 4.5965 0.0000 0.0000 62.9255 31.9031 176.5983 8 Y 4.6200 8.7516 120.6957 56.7904 37.0355 174.3867 9 V 4.5601 7.4276 123.1295 59.7370 35.2397 174.8520 10 W 2.5400 8.0924 133.9199 56.7244 31.2923 174.8704 11 D 4.4773 6.6896 121.8108 50.4864 42.1972 174.3870 12 P 3.7064 0.0000 0.0000 65.2289 31.3598 178.6184 13 S 4.0536 7.7887 111.5731 60.0070 62.9465 174.8534 14 F 4.3839 7.3068 118.7849 57.2065 39.0830 175.9688 15 R 4.3704 7.4938 122.7042 57.1589 29.9528 176.1583 16 T 4.1580 9.2777 114.9597 61.3722 69.8652 175.6167 17 F 3.7544 7.6804 119.7080 58.2263 36.8763 174.6207 18 Y 4.6335 7.5597 120.0507 55.8851 39.2902 176.0828 19 S 4.1041 8.7870 121.6542 61.8391 62.8520 176.4449 20 I 3.6816 7.7539 121.6486 63.5204 37.7598 177.7443 21 I 3.7373 7.7549 120.2072 64.6245 37.1731 177.8862 22 D 4.3923 8.3785 119.8744 57.5913 40.3605 178.7904 23 D 4.0686 7.6737 118.4673 57.1589 40.7745 178.3386 24 E 4.0720 8.0934 119.2226 59.6524 29.5140 179.0010 25 H 4.3055 8.4396 116.6691 58.8590 28.8643 177.9459 26 K 4.0144 7.6593 120.1434 59.5457 31.7048 179.4570 27 T 3.9564 7.7736 110.0587 64.7181 68.6977 176.7487 28 L 4.0002 7.8435 121.3780 57.5305 41.6042 179.3362 29 F 4.0559 8.2771 117.3228 60.6180 38.7515 177.2726 30 N 4.5177 8.4033 116.4712 56.5607 38.5913 177.2132 31 G 3.6611 8.4888 107.4653 47.9314 0.0000 175.8954 32 I 3.8073 7.9909 122.5297 63.7086 36.6001 178.0411 33 F 4.1672 8.8451 122.1103 62.0847 39.1975 177.1024 34 H 4.0860 8.2989 115.5824 58.5341 28.2020 177.5499 35 L 4.1698 7.9464 121.7684 57.7934 41.5993 178.7902 36 A 4.1535 7.7075 119.9731 54.5449 18.3942 179.2542 37 I 4.0878 6.8801 117.3779 62.7669 38.5067 176.2117 38 D 4.6506 8.2251 119.5481 52.2088 41.7204 174.4558 39 D 4.8753 8.4639 125.0124 52.7310 39.3989 173.9305 40 N 5.4894 7.6727 120.3628 49.8503 41.1361 176.0553 41 A 3.9897 8.4580 118.5945 55.3412 18.2988 179.4648 42 D 4.2656 7.9669 116.9465 57.7530 41.1112 178.6760 43 N 4.3763 8.0390 116.4334 56.0550 38.5328 177.1529 44 L 3.8385 7.8900 121.8294 57.7215 42.0145 179.2468 45 G 3.5132 7.9944 105.9896 47.4582 0.0000 175.2440 46 E 3.8586 8.1485 121.6624 59.0110 29.7488 178.4514 47 L 3.8755 7.6401 119.7041 58.2607 42.0846 178.9617 48 R 3.6914 8.1412 118.7935 59.2782 29.9840 178.3825 49 R 3.7879 8.0864 118.5098 59.8436 30.1308 178.3600 50 C 4.1648 8.1095 116.3982 62.9120 27.9447 176.4407 51 T 3.5833 8.3600 117.9397 66.4658 68.2004 177.0776 52 G 3.5659 8.2678 108.0697 47.5556 0.0000 175.7066 53 K 3.9654 8.0688 121.9263 59.5218 32.3123 178.4534 54 H 4.4766 8.4439 120.2806 58.9045 29.8032 177.2165 55 F 4.4237 8.3653 119.8455 60.4053 38.6126 177.5177 56 L 4.0453 8.0084 119.5735 58.3060 42.0119 178.6565 57 N 4.3204 8.4408 116.7592 56.4482 38.4940 177.0422 58 E 3.8689 8.7109 120.9900 59.2940 29.6120 178.8862 59 Q 4.2544 8.3081 118.2694 58.8913 28.8110 178.8348 60 V 3.5316 8.1310 119.7205 65.9774 30.5430 177.8682 61 L 3.8569 7.9320 120.0163 58.3085 41.8154 178.8508 62 M 4.1329 8.0570 118.7105 58.5197 31.8982 178.8163 63 Q 3.8883 8.3546 118.0969 58.5017 28.5513 178.4192 64 A 4.0436 7.7820 121.2540 54.2104 17.9825 178.2411 65 S 4.5550 7.3169 112.2423 57.5854 64.2207 174.3214 66 Q 3.1137 8.0270 117.5415 56.2401 26.5876 174.2621 67 Y 4.3061 8.2780 117.7228 58.2245 39.6493 176.6474 68 Q 3.5704 8.4748 127.9981 58.4993 29.1973 177.0611 69 F 4.9019 5.4600 115.8240 57.2282 40.0644 177.5477 70 Y 4.2894 7.7793 123.0044 61.0639 38.8423 176.1428 71 D 4.3159 8.3496 119.3303 57.7188 40.8698 178.6413 72 E 3.9763 8.2157 118.9104 59.3728 29.6846 178.1174 73 H 4.0674 8.1119 118.2278 59.1574 29.9287 177.1297 74 K 3.7259 8.1405 121.8123 59.4117 31.9873 178.8353 75 K 4.2730 7.8704 119.9407 58.9140 31.8293 179.1929 76 E 4.2190 7.9870 118.7745 59.7290 29.4247 178.9954 77 H 3.8281 8.1020 116.1872 58.9950 28.2250 177.6376 78 E 4.1831 8.6559 122.8513 60.4351 29.3666 180.3055 *79 T 3.9439 8.0044 114.0920 66.0157 68.5699 178.8315 80 F 4.2515 8.0880 123.3761 60.8695 39.2034 177.5278 81 I 3.5725 8.0373 119.6722 64.6032 36.7285 177.7722 82 H 4.0578 8.3658 117.9180 59.2807 29.4050 176.8335 83 A 4.0515 7.8531 122.2749 55.0566 17.9737 179.6370 84 L 3.8832 7.3678 116.6217 57.4242 41.7470 178.4968 85 D 4.6448 7.9321 116.3849 54.6925 41.9001 176.0493 86 N 4.9897 7.5471 116.1995 51.7180 39.5541 175.2156 87 W 4.3728 8.4188 130.3320 58.5113 31.4099 175.7876 88 K 4.1332 7.8412 125.8741 54.0056 31.9044 173.2784 89 G 3.7684 5.6589 105.6725 46.7368 0.0000 175.4586 90 D 4.5277 6.2617 123.0798 53.2306 38.7363 177.2500 91 V 4.0764 7.8393 124.6582 65.5907 32.1385 178.0470 92 K 4.1647 8.1360 118.7592 59.1058 31.8628 179.0759 93 W 4.1809 8.4625 128.3200 60.4677 30.6658 177.9066 94 A 4.0488 8.5595 120.4162 55.0656 17.7789 179.6434 95 K 3.7306 8.5924 118.8884 59.0492 32.1535 179.7065 96 S 4.2647 8.0973 114.2488 60.7045 62.9581 176.3428 97 W 3.5221 7.9225 132.4798 59.9320 30.3581 177.7335 98 L 3.6898 7.9398 120.2557 58.0146 41.6733 178.7550 99 V 3.6876 7.3788 117.9135 66.5200 31.4615 177.8470 100 N 4.4140 8.0843 115.8390 56.1917 38.2329 177.0211 101 H 3.5005 7.7164 119.9949 58.9690 29.7569 177.3502 102 I 3.7806 7.2610 122.6716 63.9711 36.8104 178.7961 103 K 2.4800 7.1853 117.4092 57.9024 31.6013 178.5559 104 T 4.3630 7.4695 108.5582 62.3406 70.2867 175.9306 105 I 3.9975 6.9749 121.0438 63.2217 37.5548 177.6437 106 D 3.9496 7.8954 119.9889 57.2463 40.5775 178.7944 107 F 4.3288 8.2600 118.1061 60.2874 38.5801 177.7919 108 K 4.2102 7.5463 117.6950 58.8954 32.0831 177.7762 109 Y 4.5829 7.6752 116.5062 55.8721 38.1195 175.2742 110 K 4.3372 7.3889 121.3999 58.6279 32.3527 177.2324 111 G 4.0539 9.2205 112.1327 45.7435 0.0000 173.6884 112 K 4.6546 8.6841 117.8567 55.9126 33.6417 176.3527 113 I 4.4141 7.5861 116.7687 59.7571 37.6181 174.9662 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 G 8.35 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 0.00 0.00 0.00 2 F 7.54 4.36 0.00 3.11 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 3 P 0.00 4.41 0.00 2.24 2.10 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 4 I 8.15 4.47 2.01 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 1.58 0.98 1.19 0.00 0.00 5 P 0.00 4.30 0.00 2.37 2.24 0.00 3.95 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 6 D 8.47 4.85 0.00 2.71 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 7 P 0.00 4.60 0.00 2.45 2.29 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 8 Y 8.75 4.62 0.00 3.16 3.27 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 9 V 7.43 4.56 1.99 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 0.78 0.00 0.00 0.85 0.00 0.00 10 W 8.09 2.54 0.00 2.71 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 11 D 6.69 4.48 0.00 2.62 2.45 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 12 P 0.00 3.71 0.00 2.02 2.07 0.00 3.35 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 2.06 2.10 0.00 13 S 7.79 4.05 0.00 3.66 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 14 F 7.31 4.38 0.00 2.35 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 15 R 7.49 4.37 0.00 1.79 1.51 0.00 2.77 0.00 0.00 2.82 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.53 0.00 16 T 9.28 4.16 4.77 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 1.72 0.00 0.00 17 F 7.68 3.75 0.00 2.98 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 18 Y 7.56 4.63 0.00 3.04 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 19 S 8.79 4.10 0.00 4.04 4.18 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 20 I 7.75 3.68 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.93 0.00 0.00 21 I 7.75 3.74 2.18 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.53 1.05 0.00 0.00 22 D 8.38 4.39 0.00 2.72 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 23 D 7.67 4.07 0.00 2.73 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 24 E 8.09 4.07 0.00 2.16 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 0.00 2.34 2.49 0.00 25 H 8.44 4.31 0.00 3.39 3.69 0.00 5.64 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 26 K 7.66 4.01 0.00 1.74 1.67 0.00 1.19 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.49 0.58 7.81 27 T 7.77 3.96 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 1.20 0.00 0.00 28 L 7.84 4.00 0.00 1.83 1.72 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.28 4.06 0.00 3.25 2.99 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 30 N 8.40 4.52 0.00 2.91 3.02 0.00 0.00 7.15 7.38 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 31 G 8.49 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 32 I 7.99 3.81 2.23 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.65 0.00 0.00 33 F 8.85 4.17 0.00 3.60 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 34 H 8.30 4.09 0.00 3.34 3.40 0.00 5.87 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 35 L 7.95 4.17 0.00 1.82 1.82 1.24 1.50 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 36 A 7.71 4.15 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 37 I 6.88 4.09 1.92 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.35 0.89 0.00 0.00 38 D 8.23 4.65 0.00 2.54 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.88 0.00 2.98 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 40 N 7.67 5.49 0.00 2.91 3.05 0.00 0.00 6.00 8.05 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 41 A 8.46 3.99 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 42 D 7.97 4.27 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 43 N 8.04 4.38 0.00 2.71 2.86 0.00 0.00 6.73 6.74 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 44 L 7.89 3.84 0.00 1.59 1.67 0.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.99 3.51 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 0.00 0.00 0.00 46 E 8.15 3.86 0.00 2.18 2.06 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 2.30 2.35 0.00 47 L 7.64 3.88 0.00 1.74 1.63 0.95 0.72 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 48 R 8.14 3.69 0.00 1.84 1.98 0.00 3.06 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 49 R 8.09 3.79 0.00 1.92 2.02 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 50 C 8.11 4.16 0.00 2.98 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 51 T 8.36 3.58 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 0.62 0.00 0.00 52 G 8.27 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 0.00 0.00 0.00 53 K 8.07 3.97 0.00 1.90 1.83 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.58 7.81 54 H 8.44 4.48 0.00 3.30 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.37 4.42 0.00 3.07 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 56 L 8.01 4.05 0.00 1.96 1.84 0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.44 4.32 0.00 3.12 2.86 0.00 0.00 6.73 8.26 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 58 E 8.71 3.87 0.00 2.04 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 0.00 2.17 2.33 0.00 59 Q 8.31 4.25 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 60 V 8.13 3.53 2.23 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 0.96 0.00 0.00 1.00 0.00 0.00 61 L 7.93 3.86 0.00 1.64 1.51 0.78 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.06 4.13 0.00 2.41 2.41 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.10 0.00 63 Q 8.35 3.89 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 1.52 1.99 0.00 64 A 7.78 4.04 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 65 S 7.32 4.55 0.00 4.10 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 66 Q 8.03 3.11 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 67 Y 8.28 4.31 0.00 2.99 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 68 Q 8.47 3.57 0.00 1.57 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.32 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 69 F 5.46 4.90 0.00 2.94 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 70 Y 7.78 4.29 0.00 3.20 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 71 D 8.35 4.32 0.00 2.79 2.76 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 0.00 0.00 0.00 0.00 72 E 8.22 3.98 0.00 2.13 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 2.38 2.43 0.00 73 H 8.11 4.07 0.00 3.60 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.14 3.73 0.00 1.06 1.66 0.00 1.71 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.42 7.81 75 K 7.87 4.27 0.00 2.02 1.89 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.79 1.51 7.81 76 E 7.99 4.22 0.00 2.20 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 2.57 2.48 0.00 77 H 8.10 3.83 0.00 3.29 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.66 4.18 0.00 2.24 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 0.00 2.40 2.57 0.00 *79 T 8.00 3.94 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 80 F 8.09 4.25 0.00 1.51 3.01 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 0.00 0.00 0.00 81 I 8.04 3.57 2.11 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 2.01 0.93 0.96 0.00 0.00 82 H 8.37 4.06 0.00 3.21 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.85 4.05 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 84 L 7.37 3.88 0.00 1.53 1.42 0.45 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.93 4.64 0.00 2.57 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 86 N 7.55 4.99 0.00 2.62 2.62 0.00 0.00 6.88 7.55 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 87 W 8.42 4.37 0.00 3.36 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 88 K 7.84 4.13 0.00 1.78 1.63 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 0.96 7.81 89 G 5.66 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 90 D 6.26 4.53 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 4.08 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 0.80 0.00 0.00 0.93 0.00 0.00 92 K 8.14 4.16 0.00 1.87 1.96 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.53 7.81 93 W 8.46 4.18 0.00 3.53 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.56 4.05 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 0.00 0.00 0.00 0.00 0.00 95 K 8.59 3.73 0.00 1.86 1.61 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.49 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.21 7.81 96 S 8.10 4.26 0.00 4.07 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 97 W 7.92 3.52 0.00 2.24 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 98 L 7.94 3.69 0.00 1.62 1.47 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.38 3.69 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 1.23 0.00 0.00 1.26 0.00 0.00 100 N 8.08 4.41 0.00 2.76 2.72 0.00 0.00 6.74 7.49 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 0.00 101 H 7.72 3.50 0.00 1.48 2.71 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.26 3.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 1.00 0.00 0.00 103 K 7.19 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.58 7.81 104 T 7.47 4.36 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 1.42 0.00 0.00 105 I 6.97 4.00 1.39 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.51 0.00 0.00 106 D 7.90 3.95 0.00 2.70 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 0.00 107 F 8.26 4.33 0.00 2.99 3.01 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 0.00 0.00 0.00 108 K 7.55 4.21 0.00 2.03 2.15 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.68 7.81 109 Y 7.68 4.58 0.00 2.60 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 0.00 110 K 7.39 4.34 0.00 1.84 1.88 0.00 1.87 0.00 0.00 1.29 0.00 0.00 2.47 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.44 7.81 111 G 9.22 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 0.00 0.00 0.00 112 K 8.68 4.65 0.00 2.06 2.09 0.00 2.12 0.00 0.00 2.04 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.70 7.81 113 I 7.59 4.41 1.70 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.28 0.66 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.