NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.0866 8.2993 119.9952 56.5608 33.7896 175.4896 12 F 4.4702 8.0308 116.4280 55.1079 37.0564 173.9776 13 R 3.8838 8.2833 127.6085 53.3479 32.5030 182.3421 14 V 3.1593 8.5765 123.0190 62.8940 31.6382 174.8287 15 R 3.5186 9.0982 105.0643 57.1796 28.2196 176.3039 16 N 4.3100 7.8236 124.0588 56.4154 39.1853 175.8105 17 R 4.0185 7.5518 115.7190 57.1051 30.4015 175.5753 18 I 3.6076 8.4184 122.4633 62.9031 35.6271 174.7493 19 K 4.1934 7.4869 117.4040 56.5280 31.9220 176.2790 20 R 4.3575 7.7965 117.3056 56.2001 30.4073 174.5808 21 T 4.4289 8.3300 117.4142 65.2115 71.1579 178.0041 22 G 3.9904 7.8683 110.3816 45.2072 0.0000 171.3606 23 R 3.6556 8.9472 122.9721 55.7776 30.7737 174.4448 24 L 3.5971 8.2554 124.7874 54.7876 39.2458 173.0353 25 R 4.5977 8.4511 124.2871 54.4905 32.4737 175.0854 26 L 4.5893 8.4347 129.1994 54.0488 41.8259 173.4386 27 S 4.6385 8.9473 120.1478 57.2989 64.3720 172.8533 28 V 4.8029 8.3834 125.1304 61.1185 33.2437 174.2010 29 F 5.1334 9.2182 130.7888 56.7726 41.3930 174.2984 30 R 4.5640 9.0127 127.0650 54.5169 30.0805 174.9363 31 S 4.0763 7.9113 119.7457 56.8415 63.2908 175.0489 32 L 3.9748 8.4621 125.4674 57.4612 41.6461 178.3933 33 K 4.3800 7.7943 115.9467 58.0413 33.3736 175.8707 34 H 5.3825 6.9656 118.1679 54.6697 31.1212 172.8297 35 I 4.8151 7.8574 117.7520 61.4688 41.2712 174.3233 36 Y 5.4813 9.6128 126.4152 56.2519 42.2438 174.3147 37 A 5.2150 9.6737 122.6370 50.4221 23.0836 175.1591 38 Q 4.5355 9.2259 122.6514 54.4506 32.6720 174.3686 39 I 4.7019 8.7980 129.3628 60.9796 38.1663 174.9751 40 I 4.7965 8.7897 129.2816 59.4845 39.7541 174.7500 41 D 4.9184 8.8175 127.4240 52.9536 41.7881 175.9361 42 D 4.6710 8.2901 127.1930 54.5919 42.6405 176.7083 43 E 4.1245 9.1299 118.2333 58.1772 28.8385 175.4303 44 K 4.4831 7.5223 116.0958 53.7097 33.1401 173.4485 45 G 4.0477 7.7837 106.2718 46.4087 0.0000 170.4878 46 V 4.5586 8.2104 124.2110 61.7734 35.5531 172.1513 47 T 5.0288 8.5323 123.0891 62.3203 69.8178 174.3533 48 L 4.7725 8.5721 122.7033 54.5961 44.8760 177.1319 49 V 4.5095 7.7019 118.2169 61.2432 34.7503 174.2689 50 S 5.3623 8.6475 122.4500 57.0726 66.6766 173.2201 51 A 4.7390 8.7545 122.5211 51.3413 22.9215 175.5619 52 S 4.6751 8.2709 114.9442 56.5684 66.5935 175.0375 53 S 4.5525 8.2653 122.4074 57.4848 60.9389 176.3146 54 L 4.6141 8.5753 117.3163 56.7850 41.6012 177.5425 55 A 4.6584 7.5242 119.9945 52.4348 18.3247 177.6349 56 L 4.6712 8.7842 121.1184 55.4567 45.6309 174.1784 57 K 4.2558 8.3224 116.6707 53.3686 31.2371 174.9536 58 L 3.3161 8.7389 124.3423 56.2157 41.8582 173.1679 59 K 3.6183 8.2550 122.1458 57.2752 32.8654 174.7168 60 G 4.1384 8.2991 109.4143 45.4343 0.0000 171.4825 61 N 4.9670 7.9347 118.0253 51.4755 41.4851 175.2068 62 K 3.9783 8.5869 125.1734 59.4096 32.4144 179.1569 63 T 3.8225 7.8810 108.1858 65.3985 68.2714 175.2994 64 E 4.0615 8.1035 121.4544 58.5696 29.5301 179.3210 65 V 3.8479 7.7492 117.8228 64.7846 31.4697 175.4474 66 A 4.0871 7.6999 122.8156 54.5618 18.1898 175.2085 67 R 4.2756 9.0849 125.9278 57.2627 27.8741 176.7133 68 Q 3.7452 8.2739 116.0793 59.2667 28.7864 180.1056 69 V 3.7272 8.1708 120.0332 64.6847 31.5343 178.3475 70 G 3.9236 8.1844 107.0042 47.5328 0.0000 174.8040 71 R 3.9731 8.8796 121.0316 59.2150 30.0578 178.5638 72 A 4.0024 7.8651 120.0145 55.4017 18.3710 179.0843 73 L 3.8622 8.3884 118.5824 58.4174 42.0948 178.8333 74 A 3.9916 8.7384 120.7824 55.4773 18.4772 179.0748 75 E 3.9106 8.5742 117.0357 59.7701 29.3878 179.6915 76 K 3.8928 8.0838 116.9471 60.3017 32.4614 178.3145 77 A 3.7697 8.8906 119.3533 54.9620 17.9010 179.2725 78 L 3.7094 8.7016 115.5328 57.3425 42.1261 179.5062 79 A 4.0345 7.6001 119.4914 54.0713 18.4899 178.0321 80 L 4.6111 8.7015 118.2329 55.4147 40.8329 178.5686 81 G 3.8806 8.4171 107.2466 46.8877 0.0000 174.6750 82 I 3.7860 7.2752 119.8996 61.9301 35.4587 175.1471 83 K 4.3482 7.9000 123.0632 57.7354 34.1008 176.6236 84 Q 4.5518 7.6532 119.6780 56.3382 29.9779 176.5919 85 V 4.4647 7.8690 112.2230 61.6936 36.7597 171.6758 86 A 4.7424 7.9970 122.9925 51.7240 22.6599 176.5416 87 F 4.5274 9.1181 125.9555 59.5538 40.4471 172.3595 88 D 4.1971 7.1276 121.1096 54.5742 40.7421 179.3289 89 R 3.2396 5.8400 110.1083 55.9156 31.1369 173.2681 90 G 3.7152 7.9650 110.0005 47.2108 0.0000 173.0943 91 P 4.2936 0.0000 0.0000 65.0090 31.0722 180.4926 92 Y 3.7117 8.4259 116.2751 58.6729 40.2837 176.1283 93 K 3.5349 8.3631 117.5717 57.8657 31.2343 177.2973 94 Y 3.5557 6.0215 113.6416 58.4416 36.2534 172.8846 95 H 4.2682 8.1448 132.4969 56.7497 32.7508 173.7542 96 G 3.1096 7.3377 98.5752 46.8099 0.0000 173.6993 97 R 3.7566 8.0254 111.6446 56.1976 30.1897 176.4499 98 V 3.9728 7.6826 118.0459 62.4822 34.5155 172.5043 99 K 4.2264 8.1463 127.8400 54.5963 30.8949 177.2341 100 A 3.9887 7.4110 121.2363 52.3963 17.9490 176.4297 101 L 4.5174 7.9451 121.0353 53.5899 45.1167 176.4225 102 A 4.0838 8.5249 128.3433 53.1480 17.8520 173.9073 103 E 3.8001 8.4766 115.7034 57.0692 28.1129 175.2286 104 G 3.7011 8.0621 105.8200 46.5689 0.0000 173.3475 105 A 4.4070 9.0369 125.9650 52.4195 18.2318 179.2600 106 R 4.1022 7.5374 118.6372 57.3331 30.2451 175.9718 107 E 3.6433 8.2813 120.8975 56.5419 30.3729 174.4222 108 G 3.7577 8.6049 108.4851 45.9875 0.0000 174.0420 *109 G 3.7078 7.9068 113.2788 45.6970 0.0000 172.9271 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 11 K 8.30 4.09 0.00 1.73 1.78 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.32 7.81 12 F 8.03 4.47 0.00 3.15 3.14 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 13 R 8.28 3.88 0.00 1.86 1.85 0.00 3.38 0.00 0.00 3.16 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 14 V 8.58 3.16 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 0.81 0.00 0.00 1.00 0.00 0.00 15 R 9.10 3.52 0.00 1.98 1.98 0.00 3.06 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 16 N 7.82 4.31 0.00 2.48 2.74 0.00 0.00 6.99 7.66 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 17 R 7.55 4.02 0.00 1.74 1.88 0.00 3.24 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 18 I 8.42 3.61 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.19 0.89 0.00 0.00 19 K 7.49 4.19 0.00 1.67 2.03 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.40 7.81 20 R 7.80 4.36 0.00 1.81 1.85 0.00 3.34 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 21 T 8.33 4.43 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 22 G 7.87 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 23 R 8.95 3.66 0.00 1.94 1.96 0.00 3.31 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 24 L 8.26 3.60 0.00 1.89 1.74 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.45 4.60 0.00 1.87 1.75 0.00 3.09 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 26 L 8.43 4.59 0.00 1.92 1.65 1.16 1.04 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 27 S 8.95 4.64 0.00 3.96 3.75 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 28 V 8.38 4.80 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 0.94 0.00 0.00 1.14 0.00 0.00 29 F 9.22 5.13 0.00 2.93 2.66 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 30 R 9.01 4.56 0.00 1.87 1.90 0.00 3.34 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 31 S 7.91 4.08 0.00 3.29 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 32 L 8.46 3.97 0.00 1.65 1.74 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.79 4.38 0.00 1.65 1.99 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.57 7.81 34 H 6.97 5.38 0.00 3.34 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.86 4.82 1.91 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 1.47 1.28 0.94 0.00 0.00 36 Y 9.61 5.48 0.00 2.94 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 37 A 9.67 5.22 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.23 4.54 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 39 I 8.80 4.70 1.90 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 1.28 1.31 0.94 0.00 0.00 40 I 8.79 4.80 1.87 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 1.12 1.22 0.95 0.00 0.00 41 D 8.82 4.92 0.00 2.81 2.58 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 0.00 0.00 0.00 0.00 42 D 8.29 4.67 0.00 2.68 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 43 E 9.13 4.12 0.00 2.12 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 0.00 2.20 2.31 0.00 44 K 7.52 4.48 0.00 1.68 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.42 7.81 45 G 7.78 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 46 V 8.21 4.56 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 0.85 0.00 0.00 0.96 0.00 0.00 47 T 8.53 5.03 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 1.29 0.00 0.00 48 L 8.57 4.77 0.00 1.52 1.67 1.03 0.67 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 49 V 7.70 4.51 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 1.07 0.00 0.00 0.95 0.00 0.00 50 S 8.65 5.36 0.00 3.78 3.75 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 51 A 8.75 4.74 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 52 S 8.27 4.68 0.00 3.09 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.55 0.00 3.91 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 54 L 8.58 4.61 0.00 0.88 1.09 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.52 4.66 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 56 L 8.78 4.67 0.00 1.44 1.87 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.32 4.26 0.00 1.85 0.94 0.00 1.81 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.21 1.13 7.81 58 L 8.74 3.32 0.00 1.71 1.56 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.25 3.62 0.00 1.83 2.04 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.40 7.81 60 G 8.30 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 0.00 0.00 0.00 0.00 61 N 7.93 4.97 0.00 2.71 2.62 0.00 0.00 7.11 6.02 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 62 K 8.59 3.98 0.00 1.81 1.80 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.47 7.81 63 T 7.88 3.82 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 1.16 0.00 0.00 64 E 8.10 4.06 0.00 2.05 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 2.38 2.41 0.00 65 V 7.75 3.85 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 0.96 0.00 0.00 0.98 0.00 0.00 66 A 7.70 4.09 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 67 R 9.08 4.28 0.00 1.90 2.34 0.00 3.19 0.00 0.00 3.32 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 68 Q 8.27 3.75 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 69 V 8.17 3.73 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 0.95 0.00 0.00 0.96 0.00 0.00 70 G 8.18 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 71 R 8.88 3.97 0.00 1.92 1.99 0.00 3.31 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 72 A 7.87 4.00 1.37 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 0.00 0.00 73 L 8.39 3.86 0.00 1.87 1.89 1.01 1.18 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 74 A 8.74 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 3.91 0.00 2.15 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 2.34 2.49 0.00 76 K 8.08 3.89 0.00 1.96 1.90 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.59 7.81 77 A 8.89 3.77 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 78 L 8.70 3.71 0.00 1.66 1.78 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.60 4.03 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 0.00 0.00 80 L 8.70 4.61 0.00 1.81 1.85 1.07 0.74 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 81 G 8.42 3.88 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 0.00 0.00 0.00 82 I 7.28 3.79 1.89 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 1.31 0.87 0.94 0.00 0.00 83 K 7.90 4.35 0.00 1.81 1.75 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 84 Q 7.65 4.55 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 85 V 7.87 4.46 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 0.75 0.00 0.00 1.04 0.00 0.00 86 A 8.00 4.74 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 87 F 9.12 4.53 0.00 3.11 3.14 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 88 D 7.13 4.20 0.00 2.46 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 0.00 0.00 0.00 89 R 5.84 3.24 0.00 2.13 2.20 0.00 3.69 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 90 G 7.97 3.72 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 0.00 0.00 0.00 91 P 0.00 4.29 0.00 1.97 2.03 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.84 0.00 92 Y 8.43 3.71 0.00 3.21 3.26 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 0.00 93 K 8.36 3.53 0.00 2.14 1.96 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.42 7.81 94 Y 6.02 3.56 0.00 2.43 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 95 H 8.14 4.27 0.00 3.09 2.92 0.00 5.84 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 96 G 7.34 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 0.00 0.00 0.00 97 R 8.03 3.76 0.00 2.05 2.11 0.00 3.13 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 98 V 7.68 3.97 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 0.51 0.00 0.00 0.02 0.00 0.00 99 K 8.15 4.23 0.00 1.69 1.75 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.50 7.81 100 A 7.41 3.99 1.21 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 0.00 0.00 0.00 101 L 7.95 4.52 0.00 1.54 1.54 0.94 1.08 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 0.00 102 A 8.52 4.08 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 0.00 103 E 8.48 3.80 0.00 2.16 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 2.20 2.24 0.00 104 G 8.06 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.04 4.41 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 0.00 106 R 7.54 4.10 0.00 1.84 2.05 0.00 3.54 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 107 E 8.28 3.64 0.00 2.26 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 0.00 2.22 2.28 0.00 108 G 8.60 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 *109 G 7.91 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 * Residues marked with a * may have inaccurate shift predictions.