NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4720 8.3049 118.7931 53.8810 33.1106 175.0645 2 I 3.7154 8.2869 125.1451 59.8042 37.5848 173.5123 3 S 4.1593 8.7168 122.4230 60.5568 64.3363 177.0366 4 G 3.8982 7.8496 118.7775 45.0338 0.0000 171.6895 5 L 4.2668 8.4556 125.4818 54.4940 43.0590 176.7367 6 S 4.4736 8.4155 120.6990 59.6442 62.9248 173.2258 7 H 5.3023 6.9444 111.9541 55.9170 30.8053 172.1510 8 I 4.4113 8.0485 120.1159 59.9861 39.5594 174.5324 9 T 5.0984 8.4335 122.9150 61.7997 70.6669 173.7226 10 L 4.8214 9.0799 126.0139 52.9215 45.4788 175.3932 11 I 5.0122 8.4967 123.6088 59.8893 38.8693 175.4398 12 V 4.5912 8.6841 122.4088 60.1422 35.1796 177.6289 13 K 3.8991 10.1261 126.7879 57.1629 31.9373 176.5699 14 D 4.7725 7.7553 118.2173 52.1982 41.7558 175.2075 15 L 4.1676 8.1576 130.7334 56.0582 43.1369 178.6138 16 N 4.2112 8.1885 114.8833 56.3592 38.9654 177.0026 17 K 4.0154 8.7257 121.1144 59.8767 32.2393 178.9919 18 T 4.0639 8.2796 116.0871 67.1834 68.2905 176.1976 19 T 3.7627 8.2416 116.7352 66.6847 68.4462 175.6652 20 A 4.0484 8.2009 121.9801 55.5719 18.4077 179.0454 21 F 4.0538 8.1701 118.8819 61.7742 39.3702 177.4346 22 L 3.9147 8.3528 118.4940 57.9024 41.5192 179.6129 23 Q 4.2611 8.2082 116.9470 58.5722 28.2742 178.1145 24 N 4.2414 7.9275 118.6187 56.2893 38.8620 177.0619 25 I 3.7124 7.4538 119.7376 64.0497 37.5986 177.4477 26 F 4.1276 8.1624 114.8801 57.0843 39.3582 175.3412 27 N 4.8485 8.3548 116.0488 52.9618 35.9036 174.4467 28 A 4.4098 7.9633 119.5268 52.3032 19.6168 177.3125 29 E 4.6223 8.7619 122.1242 55.1482 30.9878 175.8875 30 E 4.1494 9.0618 125.8049 56.7851 30.2059 175.7443 31 I 4.2973 8.4779 128.4329 63.2685 38.8932 175.7550 *32 Y 4.4682 7.3889 121.3932 58.0381 41.3655 174.3155 33 S 5.6035 8.2525 117.3074 57.3679 66.0573 172.3203 *41 L 4.4057 8.4152 117.4111 55.8999 41.9436 175.4735 42 S 4.7015 8.8833 113.3336 57.8614 63.7648 173.4836 43 K 4.3476 8.4995 131.2134 55.3984 32.5972 173.4166 44 E 4.9744 8.3665 121.8625 54.6231 32.9661 174.2375 45 K 4.7236 9.0633 119.4638 54.8367 36.9760 175.4488 46 F 5.8533 8.3120 121.8192 56.2745 41.8970 174.8269 47 F 5.4793 9.8907 119.4215 56.1252 44.3455 173.5599 48 L 5.2594 9.4080 121.7138 53.4311 43.8586 175.7407 49 I 4.4399 8.9143 125.8842 59.2236 39.3179 175.8168 50 A 3.7583 8.9031 132.3506 55.0717 15.9682 177.3500 51 G 4.0495 7.9391 108.7798 45.7813 0.0000 172.6989 52 L 4.6048 7.8098 118.5721 52.7027 45.3330 174.6712 53 W 5.0390 9.0372 135.0000 57.8477 31.4536 174.1324 54 I 5.1116 9.3757 129.3527 59.5972 39.3896 174.4246 55 C 5.7091 9.4517 127.2261 57.7275 34.6329 172.3706 56 I 5.1018 9.2506 126.5474 59.8746 39.9261 174.2764 57 M 5.0300 8.7556 126.5354 53.0311 35.0194 175.0804 58 E 4.5772 8.7480 124.9009 55.3708 30.1869 176.3710 59 G 4.6426 8.5385 120.1337 46.0274 0.0000 172.8442 60 D 4.7368 8.5920 121.2449 53.9579 39.6188 177.7908 61 S 4.4623 7.3981 115.6120 58.7867 59.9746 173.3014 62 L 4.6293 7.5966 127.5387 53.9304 40.2965 177.0174 63 Q 4.2013 7.7701 122.0794 55.1252 29.2668 176.8666 64 E 4.2629 8.3035 116.3111 57.1125 30.1188 177.3213 65 R 4.1560 8.2261 119.7760 56.5403 30.5401 176.3493 66 T 4.7465 8.1264 111.1383 60.3876 72.0273 172.7011 67 Y 4.6622 8.4803 120.2415 58.0006 39.1022 174.7561 68 N 4.2548 8.0470 117.1128 54.8759 38.7359 173.4759 69 H 4.6615 8.0183 117.2006 54.6457 31.8618 172.6196 70 I 4.2882 7.7715 118.6233 59.6007 39.0873 174.5795 71 A 5.2346 8.3511 128.3049 50.2820 21.0652 175.6594 72 F 4.7173 9.6398 121.3771 55.8748 42.0025 174.8003 73 Q 4.9189 8.7330 123.3273 55.4907 29.4447 174.6139 74 I 4.6869 8.9206 121.2777 59.1063 41.3802 173.9036 75 Q 4.6247 7.8722 121.3907 54.7545 31.5231 177.2888 76 S 4.0086 8.2945 120.3818 61.8701 63.4623 176.9197 77 E 4.0380 8.2821 119.6079 59.3213 29.6844 179.2574 78 E 3.9679 8.4709 118.6279 58.9788 29.2430 179.2252 79 V 3.6182 7.5761 118.3978 66.4715 31.4733 177.8820 80 D 4.3357 8.0344 117.6400 57.4117 40.7344 178.4883 81 E 3.8900 7.6048 116.4882 59.6692 29.4351 179.0986 82 Y 3.8214 8.6955 117.1225 60.9139 37.8617 178.3970 83 T 3.7697 8.2009 117.1677 66.5655 68.5288 175.7594 84 E 3.8622 8.1379 121.0618 59.5663 29.3502 179.0390 85 R 3.7709 7.4849 116.1358 59.3634 30.5734 178.8289 86 I 3.5933 7.4885 119.2746 64.2302 36.9607 178.5175 87 K 3.9490 8.0218 119.0147 59.4546 31.7165 178.4450 88 A 4.4167 7.8358 117.2525 52.6202 18.1534 178.1330 89 L 4.6450 7.7717 117.4135 53.4778 42.2996 177.0388 90 G 4.2238 8.0564 106.8699 46.4199 0.0000 174.5054 91 V 4.1718 7.1312 112.0193 60.1370 32.5695 175.8617 92 E 4.2822 8.9615 123.6761 56.8392 30.6018 175.1886 93 M 5.3746 8.6780 126.3899 53.6582 34.8912 174.9170 94 K 4.4124 9.0852 126.1675 55.5887 33.0375 175.6649 95 P 4.3687 0.0000 0.0000 62.6684 31.9460 175.6695 96 E 4.3035 8.8041 125.0967 56.1790 30.3338 176.4558 97 R 4.6295 8.4345 124.5346 53.8219 31.1695 171.1295 98 P 4.5522 0.0000 0.0000 62.3673 33.5421 174.7249 99 R 4.0927 9.0876 123.2786 57.5637 27.4296 174.4953 100 V 4.3426 8.9129 114.6460 66.1059 33.3711 175.4545 101 Q 3.1084 8.6034 111.4250 54.3305 24.6024 175.3253 102 G 3.3939 7.2685 113.0999 45.8306 0.0000 172.8919 103 E 4.4934 7.6806 114.4793 54.0898 31.8490 181.4035 104 G 4.1234 7.9593 106.5000 46.0526 0.0000 172.6591 105 R 4.7817 7.9256 116.3181 54.8907 33.2009 175.7633 106 S 5.1157 8.2714 114.5721 57.3021 67.8952 173.1991 107 I 4.6186 8.5955 122.6879 59.7492 40.9999 173.9984 108 Y 5.4733 8.5401 123.4819 56.4232 40.9887 174.5712 109 F 5.4085 8.6846 116.5610 56.5638 41.6285 172.5609 110 Y 5.3193 9.1595 118.5376 56.6342 39.9863 175.9256 111 D 3.9906 8.8548 121.6796 52.1449 41.3960 176.8480 112 F 4.6558 7.4218 116.1660 59.4651 39.4092 175.1300 113 D 4.8574 7.5326 119.3203 54.4759 41.0893 175.1536 114 N 4.1242 8.2274 110.7985 54.2875 37.2731 174.2241 115 H 4.5235 8.1545 116.5063 55.2319 29.9747 174.0870 116 L 4.1076 8.2673 125.9154 53.7903 43.7308 175.0518 117 F 5.0966 8.6283 124.5334 55.5135 42.7887 173.6212 118 E 5.0487 9.6702 123.3173 54.3699 32.7942 174.4777 119 L 5.0794 8.9286 126.9921 53.6172 43.6328 174.9341 120 H 5.3963 9.6117 124.3831 53.5135 32.9384 173.3760 121 A 4.9486 8.4515 124.5310 51.2381 21.6761 173.6617 122 G 3.3881 9.3243 108.7892 44.5540 0.0000 173.0124 123 T 3.9383 8.4343 118.2342 61.6676 70.0179 173.9829 124 L 3.9368 8.7763 127.5051 59.3558 42.0443 179.3504 125 E 4.1223 8.2788 116.5006 61.6480 29.4573 180.6461 126 E 4.3724 7.9928 117.1400 58.5272 29.7501 178.3084 127 R 4.1123 8.2158 118.4466 57.6439 30.1272 176.0878 128 L 4.3380 7.4466 122.5004 55.5710 42.0477 176.0245 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 M 8.30 4.47 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 I 8.29 3.72 1.86 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 1.40 1.05 0.90 0.00 0.00 3 S 8.72 4.16 0.00 3.87 3.74 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 0.00 0.00 0.00 0.00 4 G 7.85 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 0.00 0.00 0.00 0.00 5 L 8.46 4.27 0.00 1.59 1.58 0.86 0.80 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 6 S 8.42 4.47 0.00 3.86 3.65 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 7 H 6.94 5.30 0.00 2.56 2.22 0.00 5.16 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 8 I 8.05 4.41 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.87 0.00 0.00 9 T 8.43 5.10 4.23 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 1.23 0.00 0.00 10 L 9.08 4.82 0.00 1.53 1.43 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.50 5.01 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.85 1.04 0.00 0.00 12 V 8.68 4.59 2.26 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 0.86 0.00 0.00 1.05 0.00 0.00 13 K 10.13 3.90 0.00 1.74 1.71 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 14 D 7.76 4.77 0.00 2.62 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 15 L 8.16 4.17 0.00 1.93 1.53 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.19 4.21 0.00 2.81 2.91 0.00 0.00 6.50 6.94 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 17 K 8.73 4.02 0.00 2.10 1.82 0.00 1.33 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.18 1.32 7.81 18 T 8.28 4.06 4.59 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 1.21 0.00 0.00 19 T 8.24 3.76 4.57 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 1.51 0.00 0.00 20 A 8.20 4.05 1.46 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 0.00 0.00 21 F 8.17 4.05 0.00 3.30 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 22 L 8.35 3.91 0.00 1.51 1.29 0.45 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.21 4.26 0.00 2.33 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 24 N 7.93 4.24 0.00 2.95 2.81 0.00 0.00 7.01 6.97 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 25 I 7.45 3.71 1.43 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.11 0.14 0.00 0.00 26 F 8.16 4.13 0.00 2.88 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 27 N 8.35 4.85 0.00 2.87 2.90 0.00 0.00 7.25 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 28 A 7.96 4.41 1.25 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 0.00 0.00 29 E 8.76 4.62 0.00 2.11 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 2.33 2.36 0.00 30 E 9.06 4.15 0.00 2.06 1.82 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 1.95 1.53 0.00 31 I 8.48 4.30 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.74 0.92 0.00 0.00 *32 Y 7.39 4.47 0.00 1.94 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 0.00 0.00 0.00 33 S 8.25 5.60 0.00 3.35 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 *41 L 8.42 4.41 0.00 1.68 0.64 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.88 4.70 0.00 3.80 3.76 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 43 K 8.50 4.35 0.00 1.49 1.70 0.00 1.88 0.00 0.00 1.87 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.44 1.01 7.81 44 E 8.37 4.97 0.00 2.07 1.96 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 2.04 1.82 0.00 45 K 9.06 4.72 0.00 1.73 1.25 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.35 7.81 46 F 8.31 5.85 0.00 3.01 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 47 F 9.89 5.48 0.00 3.08 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 48 L 9.41 5.26 0.00 1.63 1.67 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.91 4.44 2.08 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.10 0.96 0.00 0.00 50 A 8.90 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.94 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 52 L 7.81 4.60 0.00 2.29 1.64 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 53 W 9.04 5.04 0.00 3.42 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 54 I 9.38 5.11 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 1.06 0.00 0.00 55 C 9.45 5.71 0.00 3.19 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 56 I 9.25 5.10 2.14 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 1.65 1.11 1.01 0.00 0.00 57 M 8.76 5.03 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 58 E 8.75 4.58 0.00 1.95 1.86 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 2.34 2.47 0.00 59 G 8.54 4.64 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 0.00 0.00 0.00 60 D 8.59 4.74 0.00 2.80 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 61 S 7.40 4.46 0.00 3.89 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 62 L 7.60 4.63 0.00 1.67 1.55 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.77 4.20 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 7.06 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 64 E 8.30 4.26 0.00 1.94 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 2.30 2.26 0.00 65 R 8.23 4.16 0.00 1.74 1.91 0.00 2.89 0.00 0.00 2.71 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 66 T 8.13 4.75 4.29 0.00 0.00 0.00 0.00 0.00 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 67 Y 8.48 4.66 0.00 2.80 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 N 8.05 4.25 0.00 2.73 2.71 0.00 0.00 6.77 8.16 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 69 H 8.02 4.66 0.00 3.03 3.02 0.00 5.50 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 70 I 7.77 4.29 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.42 0.48 0.00 0.00 71 A 8.35 5.23 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 72 F 9.64 4.72 0.00 2.98 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 73 Q 8.73 4.92 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 74 I 8.92 4.69 1.80 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 1.07 0.71 0.51 0.00 0.00 75 Q 7.87 4.62 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.54 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 76 S 8.29 4.01 0.00 3.93 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 77 E 8.28 4.04 0.00 2.07 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 0.00 2.39 2.39 0.00 78 E 8.47 3.97 0.00 2.31 2.30 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 2.38 2.36 0.00 79 V 7.58 3.62 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 1.11 0.00 0.00 0.95 0.00 0.00 80 D 8.03 4.34 0.00 2.71 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 81 E 7.60 3.89 0.00 2.12 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 2.24 2.29 0.00 82 Y 8.70 3.82 0.00 3.10 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 83 T 8.20 3.77 4.42 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 0.00 0.00 0.00 1.20 0.00 0.00 84 E 8.14 3.86 0.00 2.11 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 2.24 2.35 0.00 85 R 7.48 3.77 0.00 1.76 1.76 0.00 2.68 0.00 0.00 2.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 86 I 7.49 3.59 1.74 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.73 0.60 0.00 0.00 87 K 8.02 3.95 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 88 A 7.84 4.42 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 89 L 7.77 4.64 0.00 1.88 1.77 0.84 0.98 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 90 G 8.06 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 0.00 0.00 0.00 0.00 91 V 7.13 4.17 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 0.88 0.00 0.00 1.30 0.00 0.00 92 E 8.96 4.28 0.00 2.23 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 2.92 2.56 0.00 93 M 8.68 5.37 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 94 K 9.09 4.41 0.00 1.91 1.86 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.62 7.81 95 P 0.00 4.37 0.00 2.09 2.03 0.00 3.74 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 2.07 2.13 0.00 96 E 8.80 4.30 0.00 1.97 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 2.33 2.44 0.00 97 R 8.43 4.63 0.00 1.86 1.69 0.00 3.32 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.00 98 P 0.00 4.55 0.00 2.06 2.04 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 99 R 9.09 4.09 0.00 1.83 1.41 0.00 3.21 0.00 0.00 3.15 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.00 100 V 8.91 4.34 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 0.97 0.00 0.00 0.96 0.00 0.00 101 Q 8.60 3.11 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 102 G 7.27 3.39 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 0.00 103 E 7.68 4.49 0.00 1.95 1.79 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 2.11 1.83 0.00 104 G 7.96 4.12 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 0.00 0.00 0.00 105 R 7.93 4.78 0.00 1.74 2.04 0.00 3.10 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 106 S 8.27 5.12 0.00 3.73 3.19 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 0.00 107 I 8.60 4.62 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.74 0.95 0.00 0.00 108 Y 8.54 5.47 0.00 3.00 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 0.00 109 F 8.68 5.41 0.00 3.55 3.17 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 0.00 110 Y 9.16 5.32 0.00 3.01 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 0.00 111 D 8.85 3.99 0.00 1.58 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 0.00 112 F 7.42 4.66 0.00 3.06 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 0.00 113 D 7.53 4.86 0.00 2.70 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 0.00 114 N 8.23 4.12 0.00 2.76 2.84 0.00 0.00 7.24 8.16 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 0.00 115 H 8.15 4.52 0.00 3.57 2.73 0.00 5.62 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.27 4.11 0.00 1.63 1.36 0.31 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.63 5.10 0.00 2.13 2.75 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 0.00 118 E 9.67 5.05 0.00 2.03 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 2.11 1.52 0.00 119 L 8.93 5.08 0.00 1.47 1.36 0.16 0.43 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 0.00 120 H 9.61 5.40 0.00 3.49 3.13 0.00 5.76 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 0.00 121 A 8.45 4.95 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 0.00 122 G 9.32 3.39 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 0.00 123 T 8.43 3.94 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 1.26 0.00 0.00 124 L 8.78 3.94 0.00 1.63 1.78 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.28 4.12 0.00 2.10 1.88 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 2.24 1.97 0.00 126 E 7.99 4.37 0.00 2.23 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 2.30 2.55 0.00 127 R 8.22 4.11 0.00 1.93 2.00 0.00 3.40 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 128 L 7.45 4.34 0.00 1.65 1.52 0.94 0.71 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 * Residues marked with a * may have inaccurate shift predictions.