NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3242 8.3231 115.4196 56.7435 65.1785 174.3765 3 G 3.7590 8.8803 109.0403 45.6339 0.0000 171.0312 4 T 5.0108 8.5235 118.2086 61.7963 71.9536 172.1918 5 L 5.3503 8.9611 124.0205 51.9076 45.8583 175.5524 6 L 4.9840 8.3577 120.6958 52.8749 45.3820 175.1817 7 A 5.0274 8.2920 122.4074 50.2761 22.8565 175.0097 8 F 5.2770 9.5398 119.6188 55.6630 42.9116 174.0676 9 D 4.7874 8.8903 122.3319 51.9801 43.1775 174.6348 10 F 3.8373 9.0158 128.3162 58.5077 39.2540 174.0917 11 G 4.4522 8.3446 110.9769 43.1027 0.0000 173.5689 12 T 4.1365 8.5536 109.5664 64.3920 68.6102 175.4545 13 K 4.6617 7.1968 115.8312 56.0807 33.9999 176.2041 14 S 4.6209 7.5750 111.1768 58.3739 65.8232 174.6425 15 I 4.2829 8.2494 128.0748 59.0906 39.0120 175.6284 16 G 3.9905 8.8343 115.6042 46.4043 0.0000 171.9549 17 V 4.8321 8.4448 120.5996 60.8986 35.1635 173.9641 18 A 5.0549 8.5414 128.3556 49.9738 22.9929 174.9557 19 V 4.4708 8.3251 119.0028 60.1692 34.9711 175.1665 20 G 4.2782 8.6214 108.8314 45.9931 0.0000 171.3026 21 Q 5.4468 8.5604 116.8154 52.9086 31.6698 177.5446 22 R 3.4919 8.8367 121.8339 59.2419 30.4801 179.2442 23 I 3.8168 7.7154 117.7360 63.5686 37.2179 176.6896 24 T 4.1764 7.0653 105.2933 60.4929 69.8386 175.4430 25 G 3.4087 7.6037 109.3546 46.1057 0.0000 173.0358 26 T 5.0008 7.6846 114.9910 61.5319 72.7101 172.7372 27 A 5.3162 8.4846 123.4789 50.6428 22.7031 175.4302 28 R 4.7607 8.9002 115.2040 53.7515 33.3352 172.9236 29 P 4.7990 0.0000 0.0000 62.7606 32.4747 175.0304 30 L 4.8362 8.2476 120.6444 51.8529 45.3591 174.8102 31 P 4.1840 0.0000 0.0000 62.6202 31.7251 176.6933 32 A 4.3114 8.3698 124.2656 52.2056 19.6075 176.3200 33 I 4.3852 8.4187 120.3750 59.2169 39.6474 175.9284 34 K 4.3295 8.6428 125.6049 56.7449 32.9426 177.2482 35 A 4.3665 8.3812 125.1211 52.8923 20.4461 177.1987 36 Q 3.2283 8.0840 109.6213 57.6460 26.5200 174.8636 37 D 4.1274 9.4490 125.1367 55.3735 38.3604 175.4619 38 G 4.1065 8.5774 106.6559 45.6235 0.0000 174.0049 39 T 4.5530 7.5858 117.1683 61.2228 69.5374 172.9752 40 P 4.8809 0.0000 0.0000 60.4491 33.2887 174.7106 41 D 4.6505 8.1610 117.7284 52.9262 40.6646 176.4927 42 W 4.0621 9.0175 128.2582 59.8876 28.9067 178.0456 43 N 4.5570 8.9049 116.7971 56.3218 37.8169 177.4159 44 I 3.7489 8.0379 121.5347 64.3392 37.1979 178.4130 45 I 3.6645 7.6805 120.1822 64.4176 36.9635 177.8767 46 E 3.7319 8.7858 120.5050 59.1711 29.3989 178.7938 47 R 3.9035 8.1947 118.8434 59.4043 30.1136 178.4819 48 L 4.1773 8.2733 119.0160 57.9768 41.6015 179.5383 49 L 4.0523 7.8914 118.8612 57.8290 41.2857 179.7805 50 K 3.9976 7.8905 117.3889 58.8795 32.0304 178.9312 51 E 3.8398 8.1579 119.5006 58.7081 29.7233 178.1455 52 W 4.3271 8.4403 116.6205 55.7515 30.8637 176.1316 53 Q 3.4759 8.3363 117.8384 56.1354 26.1390 172.3669 54 P 4.6805 0.0000 0.0000 62.9786 32.4977 176.9555 55 D 4.7310 8.9920 121.4464 57.2893 41.3208 175.9511 56 E 4.9271 7.8771 114.2461 55.5499 33.1365 174.1353 57 I 4.8832 8.6599 120.5377 59.5766 41.1698 174.6668 58 I 4.8516 8.4659 126.5628 59.4690 39.8598 174.6974 59 V 4.9924 8.8378 126.9529 60.9497 34.4750 174.6885 60 G 4.4463 8.7579 115.0455 45.2596 0.0000 172.7246 61 L 4.7183 9.0487 127.4476 52.4620 43.8969 173.9887 62 P 5.3291 0.0000 0.0000 62.1330 29.4558 175.2663 63 L 4.8267 7.7769 127.2152 53.9006 44.9380 175.7577 64 N 5.0023 9.3177 119.4245 52.8899 39.5137 176.0954 65 M 4.0736 8.8023 121.0839 58.4967 32.2793 176.7895 66 D 4.6107 8.1116 115.6263 52.9651 39.8857 177.1708 67 G 3.9766 8.4418 110.0692 45.6586 0.0000 174.5195 68 T 4.0814 8.5802 110.8667 61.3835 69.4912 173.6563 69 E 4.7365 8.3716 120.7364 55.2517 31.6980 175.3866 70 Q 4.5767 8.1026 118.7481 53.5718 30.8800 175.1877 71 P 4.1707 0.0000 0.0000 66.1372 31.4983 177.6695 72 L 4.2990 7.8397 114.8688 55.4170 42.2349 178.5004 73 T 3.8178 8.3179 117.7034 66.7874 68.3941 175.9197 74 A 3.9470 7.9116 121.7524 55.3380 18.4265 179.7686 75 R 3.6744 7.7324 115.7153 59.0442 30.0549 178.8469 76 A 3.6684 7.5359 120.4929 55.1496 18.3974 179.6802 77 R 3.8521 8.0642 117.1439 59.6458 30.1333 178.9289 78 K 4.0345 8.5824 118.7007 59.1367 31.9626 179.1160 79 F 4.3939 8.9281 121.2234 61.3203 39.3401 176.8764 80 A 3.9225 8.4066 120.4007 55.3429 18.2761 179.0737 81 N 4.2408 8.2568 114.6901 56.7476 38.6543 177.5587 82 R 3.8801 8.3586 120.1296 59.5249 29.9667 178.6387 83 I 4.0129 7.7054 119.6877 64.4092 37.0772 177.8123 84 H 4.4847 8.5348 119.3902 59.2249 29.5083 177.4570 85 G 3.4946 8.2990 106.4072 47.9422 0.0000 175.3113 86 R 3.7191 7.7870 120.8278 58.0157 30.3400 177.6664 87 F 4.8005 8.4509 115.5484 56.4131 39.5033 177.9466 88 G 4.0110 8.3728 106.6183 45.5903 0.0000 174.7613 89 V 3.8435 7.4100 119.4769 60.9815 32.3166 175.7361 90 E 4.1600 8.8668 123.9943 56.8051 30.5732 175.4330 91 V 4.9880 8.3636 125.6464 61.0262 34.6797 174.4414 92 K 4.7179 9.3374 126.4838 54.5385 35.4177 175.0546 93 L 4.7682 8.6440 124.7346 54.3027 43.0220 175.5728 94 H 4.8249 9.3647 125.1288 54.1847 31.4578 173.1181 95 D 4.8613 8.6029 126.8057 54.6899 41.1941 175.8651 96 E 4.1494 9.3795 126.2463 56.2393 30.8273 177.3353 97 R 4.1461 8.0986 117.8619 56.3349 28.5887 176.6244 98 L 4.1161 7.7824 116.5110 55.4816 42.4137 177.1586 99 S 4.8189 7.9957 114.9310 58.0138 66.1096 172.6485 100 T 3.2000 8.1024 118.2294 64.7223 66.7511 173.5136 *121 V 4.0889 7.9785 121.7389 63.5343 33.8002 176.6345 122 D 4.6712 8.0144 115.1973 55.3027 41.1138 177.2485 123 S 4.6221 7.7961 114.7745 58.0307 63.3283 175.2242 124 A 3.9352 7.6090 126.8122 55.5651 18.0564 180.8048 125 S 4.1263 8.0204 111.5522 61.2065 63.2292 176.2616 126 A 3.9116 7.7762 124.3571 54.7833 18.0913 179.6046 127 V 3.3951 7.6634 116.8911 66.1008 31.5724 178.2497 128 I 3.6406 7.5837 119.4496 64.5816 36.9944 178.1808 129 I 3.6073 7.9447 120.8571 64.4394 36.8911 178.2402 130 L 3.5850 7.5634 120.6158 58.1925 41.9183 178.9197 131 E 4.0308 8.1532 118.6024 59.4306 29.3474 179.3425 132 S 4.1362 8.4177 113.7095 61.2934 62.3322 175.6396 133 Y 4.2217 7.6487 123.8544 60.0807 38.3115 177.7505 134 F 4.4475 7.9307 117.8764 60.5852 39.0553 177.2497 135 E 4.0817 8.5317 118.1186 58.9216 29.3620 178.5074 136 Q 4.0508 7.8888 116.0596 55.4284 29.5673 177.0079 137 G 3.6693 9.0375 108.2417 45.0513 0.0000 173.0432 138 Y 4.5173 6.2854 122.3457 57.3584 37.9294 174.6313 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 S 8.32 4.32 0.00 4.05 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 0.00 3 G 8.88 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 0.00 0.00 0.00 4 T 8.52 5.01 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 1.38 0.00 0.00 5 L 8.96 5.35 0.00 1.51 1.40 1.08 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.36 4.98 0.00 1.40 0.97 0.97 0.20 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 7 A 8.29 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.54 5.28 0.00 3.22 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 9 D 8.89 4.79 0.00 2.76 2.49 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 10 F 9.02 3.84 0.00 3.04 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 11 G 8.34 4.45 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 0.00 0.00 0.00 12 T 8.55 4.14 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 1.23 0.00 0.00 13 K 7.20 4.66 0.00 1.68 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.34 7.81 14 S 7.58 4.62 0.00 3.79 3.59 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 0.00 15 I 8.25 4.28 1.55 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 -0.05 0.59 0.00 0.00 16 G 8.83 3.99 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 0.00 0.00 0.00 17 V 8.44 4.83 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 0.63 0.00 0.00 1.01 0.00 0.00 18 A 8.54 5.05 1.04 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 19 V 8.33 4.47 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 0.33 0.00 0.00 0.32 0.00 0.00 20 G 8.62 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 21 Q 8.56 5.45 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.19 0.00 22 R 8.84 3.49 0.00 1.87 1.93 0.00 3.22 0.00 0.00 3.51 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 23 I 7.72 3.82 1.83 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 1.44 0.44 0.88 0.00 0.00 24 T 7.07 4.18 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 1.17 0.00 0.00 25 G 7.60 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 26 T 7.68 5.00 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 1.23 0.00 0.00 27 A 8.48 5.32 1.14 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 0.00 0.00 28 R 8.90 4.76 0.00 1.74 1.92 0.00 2.73 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 29 P 0.00 4.80 0.00 2.03 2.01 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 30 L 8.25 4.84 0.00 1.39 1.45 0.61 0.56 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 31 P 0.00 4.18 0.00 2.04 1.98 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 32 A 8.37 4.31 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 33 I 8.42 4.39 1.73 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 0.79 0.00 0.00 34 K 8.64 4.33 0.00 1.67 1.70 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 35 A 8.38 4.37 1.10 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 0.00 0.00 36 Q 8.08 3.23 0.00 2.30 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.26 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 37 D 9.45 4.13 0.00 2.88 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 38 G 8.58 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 0.00 0.00 0.00 0.00 39 T 7.59 4.55 4.49 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 1.36 0.00 0.00 40 P 0.00 4.88 0.00 1.85 1.73 0.00 3.48 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.38 0.00 41 D 8.16 4.65 0.00 2.71 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 42 W 9.02 4.06 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 43 N 8.90 4.56 0.00 2.99 2.94 0.00 0.00 6.87 7.58 0.00 0.00 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 I 8.04 3.75 1.92 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 1.66 0.98 0.93 0.00 0.00 45 I 7.68 3.66 2.03 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.17 0.75 0.00 0.00 46 E 8.79 3.73 0.00 2.41 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 0.00 2.44 2.63 0.00 47 R 8.19 3.90 0.00 2.08 2.14 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 48 L 8.27 4.18 0.00 2.00 1.88 1.04 0.99 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 49 L 7.89 4.05 0.00 1.38 1.52 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.89 4.00 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.60 7.81 51 E 8.16 3.84 0.00 1.86 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 1.47 1.70 0.00 52 W 8.44 4.33 0.00 3.29 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 53 Q 8.34 3.48 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 54 P 0.00 4.68 0.00 2.41 2.10 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 55 D 8.99 4.73 0.00 2.62 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 56 E 7.88 4.93 0.00 2.10 2.04 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 2.31 2.29 0.00 57 I 8.66 4.88 1.97 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 1.32 0.88 1.23 0.00 0.00 58 I 8.47 4.85 1.62 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.31 0.73 0.00 0.00 59 V 8.84 4.99 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 1.23 0.00 0.00 1.24 0.00 0.00 60 G 8.76 4.45 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 0.00 0.00 0.00 61 L 9.05 4.72 0.00 1.75 1.57 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.33 0.00 2.13 2.10 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 63 L 7.78 4.83 0.00 1.79 1.60 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.32 5.00 0.00 2.90 2.73 0.00 0.00 6.83 8.20 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 65 M 8.80 4.07 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 66 D 8.11 4.61 0.00 2.80 2.74 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 67 G 8.44 3.98 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 0.00 0.00 0.00 68 T 8.58 4.08 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 69 E 8.37 4.74 0.00 2.08 1.97 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 2.20 2.30 0.00 70 Q 8.10 4.58 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 71 P 0.00 4.17 0.00 2.04 2.15 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 72 L 7.84 4.30 0.00 1.72 1.68 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.32 3.82 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 1.25 0.00 0.00 74 A 7.91 3.95 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 75 R 7.73 3.67 0.00 1.40 1.09 0.00 3.10 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 76 A 7.54 3.67 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 77 R 8.06 3.85 0.00 1.89 2.08 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 78 K 8.58 4.03 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 79 F 8.93 4.39 0.00 3.27 3.33 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 80 A 8.41 3.92 1.45 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 0.00 0.00 81 N 8.26 4.24 0.00 2.90 2.90 0.00 0.00 6.76 7.28 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 82 R 8.36 3.88 0.00 2.01 2.09 0.00 2.95 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.00 83 I 7.71 4.01 1.93 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.42 1.04 0.00 0.00 84 H 8.53 4.48 0.00 3.23 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.30 3.49 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 0.00 86 R 7.79 3.72 0.00 1.33 1.54 0.00 2.71 0.00 0.00 2.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 87 F 8.45 4.80 0.00 3.20 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 88 G 8.37 4.01 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 0.00 0.00 0.00 89 V 7.41 3.84 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 0.81 0.00 0.00 1.00 0.00 0.00 90 E 8.87 4.16 0.00 2.14 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 2.41 2.35 0.00 91 V 8.36 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 0.93 0.00 0.00 1.08 0.00 0.00 92 K 9.34 4.72 0.00 1.59 1.72 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.40 7.81 93 L 8.64 4.77 0.00 1.57 1.65 0.95 1.12 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 H 9.36 4.82 0.00 3.32 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.60 4.86 0.00 2.69 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 96 E 9.38 4.15 0.00 2.01 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 2.43 2.56 0.00 97 R 8.10 4.15 0.00 1.94 1.98 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 98 L 7.78 4.12 0.00 1.78 1.61 1.02 0.70 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 99 S 8.00 4.82 0.00 3.92 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 0.00 100 T 8.10 3.20 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 1.21 0.00 0.00 *121 V 7.98 4.09 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 0.98 0.00 0.00 0.91 0.00 0.00 122 D 8.01 4.67 0.00 2.65 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 0.00 123 S 7.80 4.62 0.00 3.76 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 0.00 124 A 7.61 3.94 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 0.00 125 S 8.02 4.13 0.00 4.05 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 0.00 126 A 7.78 3.91 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 0.00 127 V 7.66 3.40 2.21 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 0.98 0.00 0.00 0.84 0.00 0.00 128 I 7.58 3.64 2.01 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 1.51 0.57 0.91 0.00 0.00 129 I 7.94 3.61 1.97 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 1.44 0.88 0.83 0.00 0.00 130 L 7.56 3.59 0.00 1.66 1.59 0.30 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.15 4.03 0.00 2.04 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 2.43 2.43 0.00 132 S 8.42 4.14 0.00 3.86 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 0.00 133 Y 7.65 4.22 0.00 2.93 2.83 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 0.00 134 F 7.93 4.45 0.00 3.26 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 0.00 135 E 8.53 4.08 0.00 2.16 1.97 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 2.34 2.36 0.00 136 Q 7.89 4.05 0.00 1.61 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.50 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 137 G 9.04 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 6.29 4.52 0.00 3.24 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 * Residues marked with a * may have inaccurate shift predictions.