NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6801 8.3649 119.5546 52.9139 41.9446 174.2960 2 K 4.5155 8.4176 118.9803 55.5042 34.3700 173.4287 3 A 4.8961 7.4674 120.7027 50.3898 23.0562 174.7425 4 T 4.4859 8.6872 109.1994 59.8998 72.5222 173.3387 5 I 4.2123 7.8864 122.4569 59.0606 38.3164 174.0080 6 P 4.2522 0.0000 0.0000 64.7310 31.4302 177.2170 7 S 4.5679 7.5919 110.9747 56.0580 64.8764 172.3492 8 E 4.1400 9.2838 129.1777 59.4245 29.3398 177.2629 9 S 4.7209 7.7741 112.1443 56.3549 64.5452 171.8143 10 P 4.9030 0.0000 0.0000 63.2386 32.2565 175.0186 11 F 5.0928 8.1961 114.9369 55.5579 42.2018 173.1503 12 A 4.6183 9.1210 120.8324 52.1247 18.9330 178.7522 13 A 3.8690 9.3049 126.9373 55.3854 18.6902 179.6004 14 A 4.1640 7.9713 116.3992 54.3154 18.6424 178.1896 15 E 4.0181 8.5649 117.0059 58.5704 29.9076 177.1637 16 V 3.6617 7.9809 119.0120 62.3072 31.6530 175.4242 17 A 4.1205 8.6558 130.4533 52.3476 18.9456 177.4378 18 D 4.4014 8.8607 119.5809 57.4638 41.2849 178.2355 19 G 3.6898 8.0793 104.5845 46.3584 0.0000 173.3483 20 A 3.8267 7.2441 121.0113 52.1920 18.9783 177.2000 21 I 3.9404 8.3307 123.3274 61.2527 38.2720 175.2174 22 V 4.7514 8.2511 126.5883 60.9756 34.5929 174.5969 23 V 4.3779 8.5508 128.4589 61.2274 33.0065 174.6877 24 D 5.1483 9.5051 129.0394 54.3715 42.5817 175.7176 25 I 5.2224 8.4793 121.2222 59.7614 40.7055 174.4776 26 A 4.6767 9.1241 126.0431 51.2781 23.0203 176.1318 27 K 3.7839 9.4715 118.2880 58.0195 29.6565 174.8687 28 M 3.1954 8.6931 111.8886 56.0521 30.6568 177.5578 29 K 4.5590 7.8351 116.9344 54.4619 36.1363 175.9450 30 Y 4.6478 8.1664 120.3836 57.8507 38.6361 175.8708 31 E 4.1853 9.1673 124.8170 58.9931 30.1323 177.5524 32 T 4.7876 7.7373 114.2694 60.7580 72.0625 172.9989 33 P 4.3340 0.0000 0.0000 65.5178 32.7376 175.4163 34 E 4.7198 7.7865 120.1744 55.6259 31.7057 173.7889 35 L 4.6906 8.8803 130.3339 53.8567 44.3257 174.6193 36 H 5.2779 8.8051 122.4673 54.3293 31.0911 173.7348 37 V 4.5772 8.7093 115.8645 59.8548 36.6649 174.5069 38 K 4.7655 9.6757 121.1987 54.4469 34.8293 176.8215 39 V 3.7286 8.3293 120.7179 65.2283 31.4428 176.3703 40 G 4.0339 9.5100 116.2739 45.1660 0.0000 173.4058 41 D 4.5746 8.0059 120.2388 54.7563 42.1491 175.3874 42 T 4.9706 8.4007 118.7471 62.2491 70.1341 174.1376 43 V 4.1375 8.7460 126.9716 61.5709 33.8928 174.5378 44 T 5.1424 8.2706 123.6159 61.6211 71.6640 173.0828 45 W 5.1667 9.5504 126.9635 55.9693 31.3449 175.6222 46 I 4.8528 9.1218 124.5093 59.3895 40.3382 174.2211 47 N 4.8885 9.1901 127.5196 53.7348 39.4179 175.3524 48 R 4.7961 8.9240 125.1317 56.2116 31.3579 175.5538 49 E 4.7477 8.4531 116.9261 53.7947 32.7713 176.7485 50 A 3.9471 8.4994 121.2683 54.9880 18.6162 178.0406 51 M 4.0181 7.9100 115.6855 55.0855 32.5037 174.0011 52 P 4.8805 0.0000 0.0000 62.6944 32.3117 175.4764 53 H 5.1035 8.5781 119.0245 54.5446 33.6781 172.3022 54 N 4.7287 8.3269 116.0561 51.9844 40.4564 173.3394 55 V 4.5070 7.9128 109.7083 60.2823 36.0101 174.6402 56 H 5.2665 8.7634 123.5716 54.9827 33.5494 171.7280 57 F 5.1447 9.3468 125.0879 55.5478 41.2489 176.1965 58 V 4.2529 8.5895 116.8035 60.7900 33.0483 175.5049 59 A 4.3237 8.4905 124.9218 54.0731 18.5627 178.1754 60 G 4.0396 8.8606 111.0609 45.4969 0.0000 175.2325 61 V 3.8867 7.4669 119.1878 65.2767 31.9086 176.7307 62 L 4.2834 7.9269 117.5802 53.8141 43.1160 177.0411 63 G 3.8706 7.1120 105.0250 46.3601 0.0000 172.9818 64 E 3.8661 8.9087 118.5906 59.4614 29.7821 177.4007 65 A 4.4614 7.6956 118.2247 50.9306 19.5412 177.1450 66 A 4.1517 8.6629 121.6106 52.5786 19.6226 177.5367 67 L 4.3982 8.9043 122.7666 53.3966 43.2933 175.0602 68 K 4.3438 8.4034 128.1387 54.6178 32.4487 176.3415 69 G 3.5701 8.8017 116.1451 44.9909 0.0000 170.6602 70 P 4.4646 0.0000 0.0000 62.3301 32.3695 176.0340 71 M 4.2654 8.3943 121.5043 55.8239 32.9164 175.4348 72 M 4.4825 8.9093 123.5615 53.6963 34.3875 176.5658 73 K 4.6528 9.2386 124.1918 54.8457 34.5270 176.2577 74 K 4.3132 8.3702 121.2397 57.8766 32.1935 175.8930 75 E 3.8898 9.5001 124.8108 57.2830 27.5029 173.6657 76 Q 5.2046 8.0453 117.2267 54.3329 32.0629 174.4105 77 A 5.5622 8.4994 121.7378 49.7267 23.4775 174.5522 78 Y 4.9115 8.1108 118.2857 56.7977 42.2278 173.5932 79 S 5.4985 8.5303 122.0500 56.8735 66.1847 173.4043 80 L 4.5361 9.0205 121.7869 53.3159 45.8598 175.5391 81 T 4.7796 8.2271 120.4023 62.1613 70.4645 173.6583 82 F 4.8173 8.9464 126.5086 56.5790 40.1704 176.4976 83 T 4.5515 8.5784 113.6331 61.5268 69.7910 174.3962 84 E 4.6647 8.0668 122.0748 53.9502 32.8531 174.5067 85 A 4.2680 8.8928 128.5260 51.7284 19.1768 177.6279 86 G 3.9172 7.3454 109.1451 45.0554 0.0000 170.8646 87 T 4.5841 7.2205 115.8451 61.6239 71.0928 173.7345 88 Y 4.9983 8.8038 124.0591 56.3890 40.9704 174.7935 89 D 5.2590 9.1045 124.7072 54.1276 42.3150 175.3890 90 Y 4.7959 8.0279 118.8322 55.9854 42.0896 173.0001 91 H 5.8269 8.7361 114.8429 53.4196 33.2148 171.3174 92 C 4.8947 8.5317 118.7173 58.7043 32.1520 173.5904 93 T 3.9031 9.1183 124.9454 66.4781 68.1751 173.9493 94 P 4.4092 0.0000 0.0000 64.8833 32.0737 176.1299 95 H 4.7473 7.8498 116.6097 52.4180 28.6761 171.7939 96 P 4.1539 0.0000 0.0000 65.4326 31.7300 178.0550 97 F 4.3212 7.9276 111.2288 58.8223 38.5359 174.8260 98 M 4.3334 7.3438 122.7885 54.4083 32.5762 175.4919 99 R 4.9663 8.7218 122.5492 54.4134 34.1203 175.0150 100 G 3.4085 7.6846 109.4302 44.5473 0.0000 170.7239 101 K 5.0499 8.0294 118.0542 55.2030 36.2255 174.8570 102 V 4.6651 9.4123 128.0403 61.3633 33.5956 174.4387 103 V 4.3867 8.9130 129.0685 61.5341 32.8223 174.3557 104 V 4.6241 8.8933 129.5535 61.2302 33.4243 175.5343 105 E 4.3881 8.7672 126.7149 56.4833 29.4589 175.9230 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 D 8.36 4.68 0.00 2.35 2.47 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 0.00 2 K 8.42 4.52 0.00 1.55 1.48 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.25 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.46 7.81 3 A 7.47 4.90 0.44 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 4 T 8.69 4.49 4.14 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 1.12 0.00 0.00 5 I 7.89 4.21 1.84 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 1.28 0.57 0.91 0.00 0.00 6 P 0.00 4.25 0.00 1.93 2.01 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 7 S 7.59 4.57 0.00 3.72 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 8 E 9.28 4.14 0.00 1.99 2.05 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 2.33 2.47 0.00 9 S 7.77 4.72 0.00 3.99 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 10 P 0.00 4.90 0.00 1.92 1.93 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 11 F 8.20 5.09 0.00 3.07 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 12 A 9.12 4.62 1.36 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 0.00 0.00 0.00 13 A 9.30 3.87 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 14 A 7.97 4.16 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 15 E 8.56 4.02 0.00 2.26 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 0.00 2.19 2.22 0.00 16 V 7.98 3.66 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 0.85 0.00 0.00 1.21 0.00 0.00 17 A 8.66 4.12 1.27 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 0.00 0.00 18 D 8.86 4.40 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.08 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 0.00 0.00 0.00 20 A 7.24 3.83 1.36 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 0.00 0.00 0.00 21 I 8.33 3.94 1.97 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 1.20 0.87 0.80 0.00 0.00 22 V 8.25 4.75 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 0.81 0.00 0.00 0.97 0.00 0.00 23 V 8.55 4.38 1.67 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 1.13 0.00 0.00 0.63 0.00 0.00 24 D 9.51 5.15 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.48 5.22 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.31 0.68 0.00 0.00 26 A 9.12 4.68 1.23 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 0.00 0.00 27 K 9.47 3.78 0.00 1.82 1.90 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.52 7.81 28 M 8.69 3.20 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 29 K 7.84 4.56 0.00 1.78 1.66 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.63 7.81 30 Y 8.17 4.65 0.00 3.07 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 31 E 9.17 4.19 0.00 2.15 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 2.38 2.35 0.00 32 T 7.74 4.79 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 1.31 0.00 0.00 33 P 0.00 4.33 0.00 2.12 2.33 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 34 E 7.79 4.72 0.00 2.10 1.90 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 2.22 2.22 0.00 35 L 8.88 4.69 0.00 1.83 1.50 0.87 0.61 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 36 H 8.81 5.28 0.00 3.01 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.71 4.58 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 0.74 0.00 0.00 0.84 0.00 0.00 38 K 9.68 4.77 0.00 1.64 1.73 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 39 V 8.33 3.73 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 0.83 0.00 0.00 0.97 0.00 0.00 40 G 9.51 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 41 D 8.01 4.57 0.00 2.79 2.62 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 0.00 42 T 8.40 4.97 4.22 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 1.18 0.00 0.00 43 V 8.75 4.14 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 -0.25 0.00 0.00 0.93 0.00 0.00 44 T 8.27 5.14 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 1.42 0.00 0.00 45 W 9.55 5.17 0.00 3.39 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 46 I 9.12 4.85 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.97 0.95 0.00 0.00 47 N 9.19 4.89 0.00 2.92 2.91 0.00 0.00 6.70 7.16 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 48 R 8.92 4.80 0.00 1.90 1.98 0.00 3.35 0.00 0.00 3.32 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 49 E 8.45 4.75 0.00 2.14 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 2.32 0.00 50 A 8.50 3.95 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 51 M 7.91 4.02 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 52 P 0.00 4.88 0.00 1.90 1.90 0.00 3.68 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 53 H 8.58 5.10 0.00 3.01 3.05 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.33 4.73 0.00 2.60 2.63 0.00 0.00 5.85 7.68 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 55 V 7.91 4.51 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 0.00 0.00 -0.75 0.00 0.00 0.30 0.00 0.00 56 H 8.76 5.27 0.00 3.02 2.97 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.35 5.14 0.00 3.15 3.11 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 0.00 0.00 0.00 58 V 8.59 4.25 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 0.78 0.00 0.00 0.99 0.00 0.00 59 A 8.49 4.32 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 60 G 8.86 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 61 V 7.47 3.89 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.15 0.00 0.00 62 L 7.93 4.28 0.00 1.56 1.36 -0.13 0.25 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 63 G 7.11 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 64 E 8.91 3.87 0.00 1.98 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 2.32 2.25 0.00 65 A 7.70 4.46 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 66 A 8.66 4.15 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 67 L 8.90 4.40 0.00 1.71 1.66 0.72 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.40 4.34 0.00 1.51 1.58 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.07 7.81 69 G 8.80 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 70 P 0.00 4.46 0.00 1.93 1.90 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.90 0.00 71 M 8.39 4.27 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 72 M 8.91 4.48 0.00 1.91 2.13 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 73 K 9.24 4.65 0.00 1.78 1.74 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.36 7.81 74 K 8.37 4.31 0.00 1.77 1.76 0.00 1.76 0.00 0.00 2.61 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.46 7.81 75 E 9.50 3.89 0.00 2.18 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 2.22 2.43 0.00 76 Q 8.05 5.20 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 77 A 8.50 5.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.11 4.91 0.00 2.94 2.85 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 79 S 8.53 5.50 0.00 3.76 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 80 L 9.02 4.54 0.00 1.58 0.84 0.72 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.23 4.78 4.11 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 0.00 0.00 1.21 0.00 0.00 82 F 8.95 4.82 0.00 3.11 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 83 T 8.58 4.55 4.22 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 1.15 0.00 0.00 84 E 8.07 4.66 0.00 1.93 1.93 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 2.28 2.34 0.00 85 A 8.89 4.27 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 86 G 7.35 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 87 T 7.22 4.58 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 1.11 0.00 0.00 88 Y 8.80 5.00 0.00 3.26 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 89 D 9.10 5.26 0.00 2.60 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 90 Y 8.03 4.80 0.00 2.14 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 91 H 8.74 5.83 0.00 3.24 3.31 0.00 5.52 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.53 4.89 0.00 2.98 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 93 T 9.12 3.90 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 1.23 0.00 0.00 94 P 0.00 4.41 0.00 1.97 2.07 0.00 3.46 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 1.42 1.74 0.00 95 H 7.85 4.75 0.00 2.69 1.85 0.00 5.67 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 96 P 0.00 4.15 0.00 2.11 2.12 0.00 3.77 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 2.08 2.11 0.00 97 F 7.93 4.32 0.00 3.12 3.18 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 98 M 7.34 4.33 0.00 1.29 1.76 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.45 0.00 99 R 8.72 4.97 0.00 1.61 1.67 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.74 0.00 100 G 7.68 3.41 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 0.00 101 K 8.03 5.05 0.00 1.86 1.56 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.65 7.81 102 V 9.41 4.67 1.90 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 0.27 0.00 0.00 1.33 0.00 0.00 103 V 8.91 4.39 1.60 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 0.85 0.00 0.00 0.76 0.00 0.00 104 V 8.89 4.62 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 1.22 0.00 0.00 0.90 0.00 0.00 105 E 8.77 4.39 0.00 2.00 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 2.23 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.