NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4707 8.2893 118.1673 54.5995 33.2652 175.3620 2 E 4.7810 7.6677 114.9580 53.4802 32.9967 173.2610 3 A 4.9940 8.6250 122.9616 50.2845 23.0712 176.3142 4 K 5.0495 8.5074 118.3759 55.8748 36.3240 174.8905 5 A 4.8697 8.6136 121.0977 50.5419 22.9842 175.2522 6 I 5.0121 8.2106 112.1496 59.0464 40.9552 174.2298 7 A 4.7468 8.8638 126.9463 50.2942 21.1932 175.4994 8 R 4.6752 8.6354 121.2387 54.7510 32.9859 175.3293 9 Y 3.6377 8.2277 116.1960 58.9707 35.8298 171.2719 10 V 3.5895 7.7364 119.0984 62.8199 32.7500 176.6651 11 R 4.6052 7.9597 128.1564 55.4531 28.8812 176.4109 12 I 4.6013 6.7522 116.8715 58.2998 41.9917 176.4292 13 S 4.1641 8.5369 118.1101 57.8579 63.5742 173.3942 14 P 4.3608 0.0000 0.0000 65.0688 30.8810 178.6782 15 R 3.8791 7.8732 116.1470 59.3463 29.9393 178.3310 16 K 4.1464 7.8555 117.8282 59.4920 32.2152 179.4277 17 V 3.7073 7.9227 118.5418 65.9339 31.2619 178.0874 18 R 3.9659 8.2820 118.1451 59.3588 29.6702 178.7849 19 L 4.0003 7.3705 116.4578 57.8586 41.9145 179.5972 20 V 3.7674 7.5835 117.4861 66.1584 31.5767 178.4663 21 V 3.7140 7.8847 111.9867 64.3211 31.0895 178.2041 22 D 4.4470 7.7605 117.8373 56.8267 40.6586 178.2823 23 L 4.1883 7.7451 119.5091 56.7706 41.9540 178.3087 24 I 4.2571 7.4816 111.7027 60.0505 38.3155 175.7101 25 R 4.0856 7.5558 121.6378 57.9382 30.1880 176.5283 26 G 4.1312 9.2070 114.0435 45.4150 0.0000 173.6045 27 K 4.4315 7.8343 119.4436 55.3092 33.4286 176.7843 28 S 4.7205 8.6573 117.6270 58.1048 64.7557 175.6442 29 L 3.9357 8.5609 125.2077 58.3894 41.8908 178.9097 30 E 3.9373 8.1865 118.6217 59.5554 29.5902 178.5628 31 E 4.0136 8.2013 117.7712 59.2263 29.5917 178.9675 32 A 3.9999 8.3853 121.2270 55.2377 18.5450 179.8006 33 R 3.8401 8.0364 116.4578 59.5490 30.1781 179.0626 34 N 4.2932 8.0138 115.5992 56.3454 38.4170 177.5162 35 I 3.7884 7.9399 121.1870 64.5648 37.0271 178.6103 36 L 4.0064 7.8065 118.3059 57.6129 41.4351 179.4539 37 R 3.8860 7.4769 117.3591 58.2969 30.0158 177.4538 38 Y 4.7223 7.1559 113.1480 57.2139 38.7398 175.5544 39 T 4.4389 6.9597 115.1123 61.4163 68.5181 173.8479 40 N 4.9786 8.4866 122.2802 52.8678 39.5826 175.0228 41 K 4.2301 7.5843 118.0699 55.8030 32.7456 176.9610 42 R 4.2411 8.4363 122.6342 57.3561 30.6477 176.4317 43 G 4.2841 9.4754 110.3384 46.1682 0.0000 175.6671 44 A 3.9824 8.3011 121.9755 55.4688 18.2754 178.8979 45 Y 3.9417 7.9785 117.3347 61.0249 38.9504 178.3792 46 F 3.9702 7.9013 118.0811 60.3515 39.0881 177.7706 47 V 3.6197 7.9974 117.9127 65.7588 31.3208 178.0044 48 A 3.9278 8.3093 121.1535 54.7740 18.2706 179.5399 49 K 3.7006 7.6405 118.2941 59.6280 32.2257 179.3292 50 V 3.5732 7.5989 118.1186 65.6516 31.4117 177.7372 51 L 3.8894 7.9892 120.2828 58.2650 41.9334 178.9252 52 E 3.9996 8.2713 118.4210 59.3172 29.3284 179.5596 53 S 4.1122 7.8936 114.8733 61.3743 62.9037 176.4884 54 A 3.9615 8.1967 123.4279 54.9378 18.0252 179.5727 55 A 3.9027 8.1339 119.1162 55.2652 18.4741 179.6676 56 A 3.9217 7.9823 119.3174 55.4853 18.3433 179.6542 57 N 4.3548 8.3543 114.7344 56.2193 38.5588 177.6036 58 A 4.0267 7.9981 122.3398 55.2138 18.5836 179.9312 59 V 3.7296 8.0338 116.9743 65.9995 31.3613 178.0383 60 N 4.3809 8.3874 115.7960 56.3313 38.6567 176.9675 61 N 4.4262 8.3203 117.2354 55.6839 38.7855 175.7427 62 H 4.7360 7.7154 114.3848 54.8488 29.2173 174.5915 63 D 5.0138 8.4659 116.3534 53.8367 38.3679 173.8156 64 A 4.2119 7.8960 120.2370 52.1549 19.2484 177.7689 65 L 4.5848 8.1553 119.3602 53.1314 42.6188 178.1448 66 E 4.0132 8.8770 123.8872 59.3227 29.5941 178.4116 67 D 4.5755 8.0595 115.8232 54.6838 40.0725 176.6432 68 R 4.5392 7.9252 118.5515 56.4268 32.0066 176.3525 69 L 4.9119 7.5888 120.1949 54.9556 42.9342 175.6848 70 Y 5.1795 9.1867 119.7497 55.5275 42.2519 174.5349 71 V 4.0140 8.6454 121.4950 62.3294 31.4128 176.6441 72 K 4.0231 8.3394 129.0143 58.9964 32.6974 177.6533 73 A 4.8305 7.6864 118.8675 50.9024 22.9027 175.4766 74 A 4.9359 8.4827 121.1121 51.2191 22.1928 175.2545 75 Y 5.0330 8.3780 120.3929 55.9053 42.3050 174.0250 76 V 4.9870 8.4709 118.4547 60.0599 34.2714 174.5657 77 D 5.1105 9.1556 123.4066 52.2912 43.9004 175.2054 78 E 4.2441 8.8483 123.3841 56.3403 30.5293 176.2507 79 G 4.1981 8.7389 114.5473 42.8828 0.0000 170.9894 80 P 4.8078 0.0000 0.0000 62.1851 33.2297 175.7060 81 A 4.4148 8.3566 121.9600 52.0437 19.9611 177.0933 *85 V 4.4148 8.0589 112.3069 61.4567 33.8235 174.9222 86 L 4.6220 8.2257 122.6016 52.3985 42.5053 175.0601 87 P 4.3813 0.0000 0.0000 62.9753 31.9367 176.7907 88 R 3.7524 8.8444 114.0226 56.4410 29.1415 179.5938 89 A 3.4874 7.9532 120.3951 53.1813 18.3318 180.5142 90 R 4.4920 9.0856 122.2339 53.9269 31.6575 174.8687 91 G 3.9049 8.3887 107.4442 45.1266 0.0000 171.9233 92 R 3.5252 7.4876 114.0813 57.1507 28.9512 175.0501 93 A 4.7662 7.0084 131.7231 52.8081 18.7395 179.7541 94 D 4.8416 8.5165 112.8304 55.8005 41.3328 174.3717 95 I 4.5271 7.3086 119.0117 59.4275 40.5427 176.2714 96 I 4.2144 7.9945 123.7082 60.3931 38.3014 175.2535 97 K 4.7459 8.2487 121.1129 55.8660 33.8181 176.1474 98 K 4.7407 8.4759 121.6852 55.1902 35.1863 175.9679 99 R 4.5447 8.5367 120.7365 55.9865 31.4129 175.4532 100 T 4.8787 8.0621 110.3658 60.1385 72.4987 172.7697 101 S 4.7899 8.7555 116.7929 57.0355 67.7287 172.8297 102 H 5.0538 9.0600 119.2878 54.1611 31.4977 172.9559 103 I 4.8370 8.7706 124.6000 59.7299 39.9302 174.7657 104 T 4.8175 8.3399 122.8527 61.5403 71.9551 173.1779 105 V 4.7245 8.2952 124.8439 61.0285 35.1901 174.0584 106 I 4.9146 8.8742 128.1820 59.5227 40.2540 174.5256 107 L 5.0490 9.1849 127.0295 53.1154 44.8968 175.7035 108 G 4.4721 8.5689 107.9562 44.8631 0.0000 171.0225 109 E 5.9800 8.4853 117.2299 53.3160 32.8871 175.4104 110 K 4.1299 8.6973 121.4732 57.5446 32.6927 172.5797 111 H 4.1921 9.4117 131.0604 55.4378 28.9969 173.8244 112 G 4.2784 8.1678 115.9490 45.7799 0.0000 172.7421 113 K 4.1163 8.5405 122.7786 56.9550 33.0834 175.4951 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 8.29 4.47 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 2 E 7.67 4.78 0.00 1.96 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 2.13 2.36 0.00 3 A 8.63 4.99 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 4 K 8.51 5.05 0.00 1.79 1.71 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.41 7.81 5 A 8.61 4.87 1.19 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 0.00 0.00 6 I 8.21 5.01 1.79 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 1.23 0.72 0.83 0.00 0.00 7 A 8.86 4.75 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 8 R 8.64 4.68 0.00 1.69 1.41 0.00 3.07 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 9 Y 8.23 3.64 0.00 3.14 2.97 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 0.00 0.00 0.00 0.00 10 V 7.74 3.59 1.87 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 0.20 0.00 0.00 0.89 0.00 0.00 11 R 7.96 4.61 0.00 1.76 1.85 0.00 3.23 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 12 I 6.75 4.60 1.72 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.41 0.93 0.00 0.00 13 S 8.54 4.16 0.00 3.88 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 14 P 0.00 4.36 0.00 2.18 2.08 0.00 3.91 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 2.08 2.07 0.00 15 R 7.87 3.88 0.00 1.80 1.96 0.00 3.41 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 16 K 7.86 4.15 0.00 2.03 1.87 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 17 V 7.92 3.71 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 1.04 0.00 0.00 0.92 0.00 0.00 18 R 8.28 3.97 0.00 2.07 2.00 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 19 L 7.37 4.00 0.00 1.91 1.76 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.58 3.77 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 1.09 0.00 0.00 1.02 0.00 0.00 21 V 7.88 3.71 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 0.77 0.00 0.00 1.02 0.00 0.00 22 D 7.76 4.45 0.00 2.61 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 23 L 7.75 4.19 0.00 1.79 1.75 0.95 0.86 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 I 7.48 4.26 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 1.48 0.83 0.91 0.00 0.00 25 R 7.56 4.09 0.00 1.96 1.93 0.00 3.31 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 26 G 9.21 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.83 4.43 0.00 1.92 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.58 7.81 28 S 8.66 4.72 0.00 3.99 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 29 L 8.56 3.94 0.00 1.78 1.69 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.19 3.94 0.00 2.09 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 2.40 2.43 0.00 31 E 8.20 4.01 0.00 2.19 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 2.42 2.40 0.00 32 A 8.39 4.00 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.04 3.84 0.00 2.06 1.96 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 34 N 8.01 4.29 0.00 3.02 3.03 0.00 0.00 7.08 6.83 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 35 I 7.94 3.79 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.96 0.94 0.00 0.00 36 L 7.81 4.01 0.00 1.69 1.69 0.88 0.80 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 37 R 7.48 3.89 0.00 1.46 0.91 0.00 3.07 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 38 Y 7.16 4.72 0.00 3.02 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 39 T 6.96 4.44 4.37 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 1.25 0.00 0.00 40 N 8.49 4.98 0.00 2.72 2.80 0.00 0.00 7.00 7.61 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 41 K 7.58 4.23 0.00 1.91 1.76 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.43 7.81 42 R 8.44 4.24 0.00 1.83 1.96 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 43 G 9.48 4.28 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 0.00 44 A 8.30 3.98 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 45 Y 7.98 3.94 0.00 2.89 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 46 F 7.90 3.97 0.00 3.26 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 47 V 8.00 3.62 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 0.98 0.00 0.00 0.95 0.00 0.00 48 A 8.31 3.93 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 49 K 7.64 3.70 0.00 1.41 1.76 0.00 1.59 0.00 0.00 1.33 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.31 7.81 50 V 7.60 3.57 2.02 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 0.86 0.00 0.00 0.94 0.00 0.00 51 L 7.99 3.89 0.00 1.84 1.78 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.27 4.00 0.00 2.11 1.94 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 2.47 2.44 0.00 53 S 7.89 4.11 0.00 4.01 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 54 A 8.20 3.96 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 55 A 8.13 3.90 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 56 A 7.98 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 57 N 8.35 4.35 0.00 2.95 2.87 0.00 0.00 6.91 7.26 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 A 8.00 4.03 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.03 3.73 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 1.02 0.00 0.00 1.04 0.00 0.00 60 N 8.39 4.38 0.00 2.74 2.83 0.00 0.00 7.09 7.80 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 61 N 8.32 4.43 0.00 2.63 2.50 0.00 0.00 7.01 8.10 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 62 H 7.72 4.74 0.00 3.11 3.32 0.00 6.05 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.47 5.01 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 64 A 7.90 4.21 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 65 L 8.16 4.58 0.00 1.73 1.61 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.88 4.01 0.00 2.03 2.02 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 2.40 2.31 0.00 67 D 8.06 4.58 0.00 2.78 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 68 R 7.93 4.54 0.00 1.97 2.03 0.00 3.53 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 69 L 7.59 4.91 0.00 1.74 1.59 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.19 5.18 0.00 3.05 2.95 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 71 V 8.65 4.01 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 1.02 0.00 0.00 0.91 0.00 0.00 72 K 8.34 4.02 0.00 1.52 1.75 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.64 0.87 7.81 73 A 7.69 4.83 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 74 A 8.48 4.94 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 75 Y 8.38 5.03 0.00 2.97 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 76 V 8.47 4.99 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 0.80 0.00 0.00 0.92 0.00 0.00 77 D 9.16 5.11 0.00 2.61 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 78 E 8.85 4.24 0.00 1.96 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 2.26 2.29 0.00 79 G 8.74 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.81 0.00 2.19 2.27 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 81 A 8.36 4.41 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 *85 V 8.06 4.41 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 1.17 0.00 0.00 0.98 0.00 0.00 86 L 8.23 4.62 0.00 1.61 1.61 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.38 0.00 2.17 2.01 0.00 3.84 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 88 R 8.84 3.75 0.00 1.94 2.00 0.00 3.35 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 89 A 7.95 3.49 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.09 4.49 0.00 1.75 1.85 0.00 3.14 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 91 G 8.39 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 92 R 7.49 3.53 0.00 2.01 2.30 0.00 3.18 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 93 A 7.01 4.77 1.03 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 94 D 8.52 4.84 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.31 4.53 1.87 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 1.41 0.86 0.91 0.00 0.00 96 I 7.99 4.21 1.87 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 1.47 0.76 0.91 0.00 0.00 97 K 8.25 4.75 0.00 1.75 1.80 0.00 1.51 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 98 K 8.48 4.74 0.00 1.75 1.79 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.37 7.81 99 R 8.54 4.54 0.00 1.70 1.87 0.00 3.14 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 100 T 8.06 4.88 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 101 S 8.76 4.79 0.00 3.65 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 0.00 102 H 9.06 5.05 0.00 2.96 3.03 0.00 5.59 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 0.00 103 I 8.77 4.84 1.81 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 1.18 0.63 0.83 0.00 0.00 104 T 8.34 4.82 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 0.89 0.00 0.00 105 V 8.30 4.72 1.98 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 0.90 0.00 0.00 0.83 0.00 0.00 106 I 8.87 4.91 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.90 0.00 0.00 107 L 9.18 5.05 0.00 1.45 1.44 0.87 0.57 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 0.00 108 G 8.57 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 0.00 0.00 0.00 0.00 109 E 8.49 5.98 0.00 2.06 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 0.00 2.39 2.12 0.00 110 K 8.70 4.13 0.00 1.57 1.54 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.18 7.81 111 H 9.41 4.19 0.00 3.33 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.17 4.28 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 0.00 113 K 8.54 4.12 0.00 1.72 1.66 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.