NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2986 8.2993 119.9943 57.0869 34.0562 175.5693 3 T 3.8674 8.5403 112.7837 64.2376 69.3659 173.5510 4 I 4.2410 8.3882 124.2486 60.3221 38.9502 176.4699 5 R 4.5943 8.8000 126.1650 54.3684 32.8175 175.2232 6 R 4.9719 8.3418 121.8134 54.7107 32.5605 174.7897 7 Y 4.6574 9.2416 121.7595 55.9219 41.9564 174.8994 8 D 4.6193 8.6077 117.6670 55.3026 39.7648 173.8983 9 V 4.0482 7.7049 117.1214 62.6943 32.7410 174.4058 10 N 4.7483 8.8643 126.4426 51.6728 38.8265 174.8862 11 E 4.0122 8.6833 126.3997 59.4666 29.9401 178.7689 12 D 4.4877 8.1719 117.5183 57.0609 41.0658 177.5794 13 R 4.1232 8.0268 116.2298 56.1720 30.8144 176.1843 14 G 3.7803 8.0792 105.3664 46.4042 0.0000 172.4790 15 H 5.0956 7.5486 112.2481 54.1020 33.0271 172.6636 16 T 4.7586 8.4208 115.6361 61.7504 69.9918 174.8947 17 G 3.7877 8.8927 114.3084 48.9229 0.0000 173.4188 18 L 5.2521 8.3083 122.7184 53.4281 45.9994 174.8820 19 V 4.9060 9.1821 126.9067 61.2650 33.9699 173.6417 20 E 4.7316 9.6163 129.4679 54.7868 31.6962 174.5780 21 A 4.6245 8.7250 128.6567 49.8357 21.4485 177.7471 22 G 3.7815 8.7575 113.7873 48.0225 0.0000 173.3223 23 D 4.7081 8.9288 125.8488 53.3966 41.3610 175.0665 24 F 5.3238 8.1005 118.8549 55.7413 42.5447 174.0405 25 Y 5.1247 8.9981 119.3088 56.5122 41.4981 173.9343 26 Y 4.9790 9.5398 122.6256 56.2955 40.0589 174.7332 27 L 4.9253 8.8374 125.5621 53.3343 43.2491 176.4056 28 N 4.8080 8.8686 123.5881 53.3091 39.8745 173.8590 29 Y 4.4462 8.4263 120.0670 57.9610 38.5999 175.3599 30 C 5.1416 10.0795 120.5828 58.0596 31.0657 173.3024 31 V 4.7600 8.7187 122.0378 60.4997 34.0029 174.5258 32 G 4.0179 8.8994 109.5905 45.4776 0.0000 172.0785 33 N 3.9918 8.5778 114.1794 53.9796 36.2445 174.9506 34 V 3.7449 7.5100 115.4714 63.8027 32.9351 175.9244 35 G 4.1276 8.9038 113.1908 45.2777 0.0000 173.4993 36 Q 4.7890 7.1981 118.6224 54.3075 30.7472 175.2968 37 D 4.6469 8.2013 118.6207 52.9048 41.5634 176.7023 38 I 3.6304 8.3490 119.7256 64.5685 37.7279 177.2615 39 E 3.8646 8.1443 119.1849 59.5680 29.4309 178.8578 40 S 4.1241 8.4654 115.0624 61.6146 62.7484 176.6894 41 Q 4.2966 8.1220 122.1811 58.0100 28.4485 178.6825 42 I 2.8791 7.5927 120.9880 64.2016 37.0117 178.0698 43 N 4.5565 8.2637 117.5182 56.3754 38.3996 177.6846 44 G 3.5898 8.4975 107.2015 47.7183 0.0000 175.6209 45 A 4.0314 8.0205 122.4682 55.0702 18.5248 179.5638 46 F 4.7788 7.9955 115.0976 60.6226 39.1320 177.4262 47 D 4.6173 8.5529 119.1281 57.2377 40.5374 179.4898 48 E 4.2771 8.0170 116.8624 56.8161 29.2795 178.8518 *50 E 4.1829 8.1619 120.6139 56.5173 31.6514 178.1988 51 R 3.8416 8.2562 117.4582 59.6467 30.4251 178.5342 52 R 4.0480 8.3394 118.0969 59.2581 30.0570 179.0162 53 L 3.8371 7.8818 118.0748 57.6862 41.6704 179.2582 54 A 3.9373 8.2019 120.5571 54.6757 18.0016 179.4864 55 L 4.0298 7.5047 116.8034 56.8911 41.5468 178.4112 56 V 4.0899 7.0182 109.7791 60.5565 32.2376 175.6194 57 G 3.7419 7.7493 106.5452 46.4885 0.0000 174.0483 58 L 4.5128 7.5139 119.0956 52.9361 44.2492 175.5404 59 T 4.6397 7.5579 114.3599 61.6215 72.6696 175.2143 60 L 4.0644 8.3159 122.4882 57.9903 41.6253 179.7014 61 D 4.3430 7.9608 116.8451 56.8084 41.0206 177.0426 62 A 4.2140 8.3097 121.2777 52.8304 19.0244 177.0312 63 V 4.3065 7.5752 117.0431 62.7423 32.1514 175.8913 64 V 4.2693 8.7414 120.4217 62.7180 33.7842 175.1632 65 Q 5.6456 7.5831 119.4509 55.3870 33.3008 172.5308 *67 D 4.8371 8.4846 119.0353 54.3916 42.6900 174.5592 68 C 4.8693 8.9866 121.1823 57.8845 31.0038 172.6996 69 L 5.1444 8.2654 124.5229 53.0175 43.6867 175.5407 70 F 5.5469 9.2560 122.7773 55.6182 41.8738 176.5614 71 R 4.1041 9.3175 123.4040 58.2124 31.0201 175.7059 72 D 4.9718 8.3279 118.0618 51.3967 42.5181 175.8866 73 V 3.1911 9.1228 128.7050 63.8315 31.0781 177.6395 74 W 4.2697 7.9514 117.8935 58.2638 29.1185 176.7722 75 N 4.6821 8.1164 116.5215 53.5300 37.9150 176.4636 76 I 3.5299 6.9590 122.6155 64.3444 37.5685 175.9263 77 P 4.4357 0.0000 0.0000 65.2335 30.8207 178.9525 78 V 3.5266 7.3571 113.5919 63.7536 31.0405 176.3235 *80 E 4.3594 8.2426 119.9132 55.9896 31.3078 178.3415 81 K 3.7709 7.8975 115.5049 57.6201 32.0758 178.0883 *83 I 4.3103 7.8665 119.5293 61.1034 38.5837 178.1759 84 K 4.3640 8.0155 119.5468 59.5806 31.5181 179.3330 85 E 3.8526 8.1198 117.7521 58.7170 29.4799 178.5755 86 R 4.3570 7.9980 115.8654 56.9689 31.5367 177.5890 87 F 4.2652 9.0585 116.7417 56.3614 40.2717 175.0054 88 N 3.9851 8.6933 115.2697 54.3110 36.0570 175.2360 89 G 3.5993 7.9526 103.2149 45.3939 0.0000 173.0101 90 R 4.1417 7.1184 118.4753 54.5372 30.5931 174.5792 91 Y 4.7904 7.7607 120.2231 55.1711 40.4600 174.3750 92 P 4.7418 0.0000 0.0000 61.9666 33.0441 175.7040 93 A 4.3596 8.5184 122.8253 52.4632 19.4623 176.8097 94 R 5.0741 8.3082 116.1754 54.8883 33.2754 173.8067 95 K 4.8079 8.4909 116.7250 55.5574 36.3351 175.0896 96 S 5.4683 8.6635 116.2027 57.0749 66.2886 173.6417 97 I 4.7175 8.8623 122.6510 59.7133 41.6120 173.8660 98 Q 5.0194 8.6414 126.8832 55.3635 29.7304 174.4873 99 T 4.5771 8.5063 119.6336 60.5129 71.3438 173.0430 100 E 3.9803 8.4821 125.4710 56.1118 30.3603 176.1976 101 F 4.9790 8.0909 117.8507 55.6498 42.4300 175.5476 102 A 4.4430 8.4409 124.8841 51.9226 17.9378 177.0457 103 H 5.0336 7.8374 118.8317 55.4864 33.4432 173.0751 104 H 4.2101 8.6820 119.8513 56.2293 29.4634 174.7112 105 G 4.1363 8.7251 109.9697 46.0746 0.0000 172.4160 106 G 4.0965 8.7905 110.2077 44.8798 0.0000 170.2949 107 P 4.4406 0.0000 0.0000 64.2176 31.8593 175.7554 108 Q 3.9094 8.3293 119.2124 55.6360 26.4709 174.1582 109 G 4.2125 7.9847 106.1105 43.3897 0.0000 173.6364 110 L 4.1897 8.2737 121.8046 54.4515 42.6308 176.1408 111 L 4.9641 9.2108 124.7699 54.9664 44.5488 175.9348 112 F 5.2397 7.5450 118.6321 57.2542 42.2330 173.0611 113 Q 4.5545 7.7991 123.3005 54.1243 33.1453 174.2279 114 V 4.8232 8.4184 119.8706 60.2263 35.3054 173.9710 115 D 5.1544 8.6968 121.3578 52.4862 43.1180 173.6654 116 G 4.0749 7.4414 104.2320 46.7099 0.0000 172.0906 117 V 4.8634 8.3288 119.3365 60.8811 34.2487 174.4478 118 A 5.4053 9.2761 128.3950 50.4092 22.6631 174.1550 119 Y 4.9790 8.5746 119.1402 56.3275 42.4716 175.1283 120 S 3.8889 7.9673 119.9964 57.0159 65.6388 173.6494 121 K 3.7181 7.9543 129.7390 56.6813 32.5154 176.2892 122 H 4.4792 9.1765 123.1827 55.9889 28.7400 174.8491 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 K 8.30 4.30 0.00 1.86 1.86 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.52 7.81 3 T 8.54 3.87 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 4 I 8.39 4.24 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 1.34 0.53 0.91 0.00 0.00 5 R 8.80 4.59 0.00 1.88 1.51 0.00 3.40 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 6 R 8.34 4.97 0.00 1.60 1.83 0.00 3.13 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 7 Y 9.24 4.66 0.00 2.93 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 8 D 8.61 4.62 0.00 2.95 2.70 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 9 V 7.70 4.05 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 0.87 0.00 0.00 0.93 0.00 0.00 10 N 8.86 4.75 0.00 2.67 2.36 0.00 0.00 6.91 7.82 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 11 E 8.68 4.01 0.00 1.98 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 2.30 2.27 0.00 12 D 8.17 4.49 0.00 2.66 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 13 R 8.03 4.12 0.00 1.60 2.02 0.00 3.43 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 14 G 8.08 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.55 5.10 0.00 3.27 3.39 0.00 5.44 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.42 4.76 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 1.39 0.00 0.00 17 G 8.89 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 0.00 0.00 0.00 18 L 8.31 5.25 0.00 1.83 1.58 1.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.18 4.91 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 0.85 0.00 0.00 1.01 0.00 0.00 20 E 9.62 4.73 0.00 2.27 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 2.04 1.60 0.00 21 A 8.72 4.62 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 22 G 8.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.71 0.00 2.69 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 24 F 8.10 5.32 0.00 3.09 2.81 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 25 Y 9.00 5.12 0.00 2.79 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 26 Y 9.54 4.98 0.00 2.93 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 27 L 8.84 4.93 0.00 1.78 1.63 0.97 0.54 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 28 N 8.87 4.81 0.00 2.89 2.50 0.00 0.00 7.26 7.96 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 29 Y 8.43 4.45 0.00 2.92 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 30 C 10.08 5.14 0.00 2.99 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 31 V 8.72 4.76 2.19 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 0.66 0.00 0.00 0.85 0.00 0.00 32 G 8.90 4.02 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 0.00 0.00 0.00 33 N 8.58 3.99 0.00 2.98 2.98 0.00 0.00 6.47 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 34 V 7.51 3.74 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 0.64 0.00 0.00 0.85 0.00 0.00 35 G 8.90 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 36 Q 7.20 4.79 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 37 D 8.20 4.65 0.00 2.96 2.81 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 38 I 8.35 3.63 1.93 0.00 0.00 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 1.62 1.16 0.94 0.00 0.00 39 E 8.14 3.86 0.00 2.07 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 2.38 2.41 0.00 40 S 8.47 4.12 0.00 4.02 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 41 Q 8.12 4.30 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 42 I 7.59 2.88 1.69 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.21 0.36 0.00 0.00 43 N 8.26 4.56 0.00 2.89 2.92 0.00 0.00 6.98 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 44 G 8.50 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 0.00 0.00 0.00 45 A 8.02 4.03 1.47 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 46 F 8.00 4.78 0.00 3.11 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 47 D 8.55 4.62 0.00 2.89 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 48 E 8.02 4.28 0.00 2.17 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 2.33 2.43 0.00 *50 E 8.16 4.18 0.00 2.18 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 2.16 2.44 0.00 51 R 8.26 3.84 0.00 1.87 2.15 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 52 R 8.34 4.05 0.00 1.93 1.95 0.00 3.17 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 53 L 7.88 3.84 0.00 1.73 1.57 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.20 3.94 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 55 L 7.50 4.03 0.00 1.57 1.61 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.02 4.09 1.81 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 0.20 0.00 0.00 0.47 0.00 0.00 57 G 7.75 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 0.00 0.00 0.00 58 L 7.51 4.51 0.00 1.46 1.37 0.05 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.56 4.64 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 1.12 0.00 0.00 60 L 8.32 4.06 0.00 1.22 0.88 0.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.96 4.34 0.00 2.57 2.69 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 62 A 8.31 4.21 1.26 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 0.00 0.00 63 V 7.58 4.31 2.40 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 0.98 0.00 0.00 0.97 0.00 0.00 64 V 8.74 4.27 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 0.74 0.00 0.00 1.08 0.00 0.00 65 Q 7.58 5.65 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.21 0.00 *67 D 8.48 4.84 0.00 3.11 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 68 C 8.99 4.87 0.00 3.14 2.87 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 69 L 8.27 5.14 0.00 1.54 1.64 0.97 0.71 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 70 F 9.26 5.55 0.00 2.91 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 71 R 9.32 4.10 0.00 2.18 2.18 0.00 3.18 0.00 0.00 3.11 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 72 D 8.33 4.97 0.00 2.78 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 73 V 9.12 3.19 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 0.44 0.00 0.00 0.61 0.00 0.00 74 W 7.95 4.27 0.00 3.42 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 75 N 8.12 4.68 0.00 3.07 3.03 0.00 0.00 6.86 6.66 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 76 I 6.96 3.53 1.62 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 -0.25 0.84 0.00 0.00 77 P 0.00 4.44 0.00 2.18 2.11 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 78 V 7.36 3.53 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 0.75 0.00 0.00 0.97 0.00 0.00 *80 E 8.24 4.36 0.00 2.23 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 0.00 2.24 2.46 0.00 81 K 7.90 3.77 0.00 1.83 1.97 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 *83 I 7.87 4.31 1.99 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 1.24 0.61 0.59 0.00 0.00 84 K 8.02 4.36 0.00 1.86 1.94 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.59 7.81 85 E 8.12 3.85 0.00 2.02 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 2.39 2.55 0.00 86 R 8.00 4.36 0.00 1.78 1.79 0.00 3.30 0.00 0.00 3.40 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 87 F 9.06 4.27 0.00 3.38 3.27 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 88 N 8.69 3.99 0.00 2.68 2.81 0.00 0.00 7.01 7.53 0.00 0.00 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 G 7.95 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.12 4.14 0.00 1.69 1.80 0.00 3.30 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 91 Y 7.76 4.79 0.00 2.91 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 92 P 0.00 4.74 0.00 2.11 2.30 0.00 3.45 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 93 A 8.52 4.36 1.34 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 0.00 0.00 0.00 94 R 8.31 5.07 0.00 1.81 1.88 0.00 3.06 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 95 K 8.49 4.81 0.00 1.80 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.49 7.81 96 S 8.66 5.47 0.00 3.75 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 97 I 8.86 4.72 1.90 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 1.11 0.87 0.89 0.00 0.00 98 Q 8.64 5.02 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.64 0.00 99 T 8.51 4.58 4.08 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 0.77 0.00 0.00 100 E 8.48 3.98 0.00 1.89 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 2.23 0.00 101 F 8.09 4.98 0.00 2.99 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 0.00 102 A 8.44 4.44 1.29 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 0.00 0.00 0.00 103 H 7.84 5.03 0.00 3.09 3.10 0.00 5.94 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.68 4.21 0.00 3.20 3.37 0.00 5.50 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 0.00 105 G 8.73 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 0.00 106 G 8.79 4.10 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 0.00 107 P 0.00 4.44 0.00 2.08 2.03 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 108 Q 8.33 3.91 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 109 G 7.98 4.21 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 0.00 110 L 8.27 4.19 0.00 1.32 1.52 0.69 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.21 4.96 0.00 1.73 1.80 1.03 0.88 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 0.00 112 F 7.54 5.24 0.00 2.86 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 0.00 113 Q 7.80 4.55 0.00 1.76 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 1.92 1.47 0.00 114 V 8.42 4.82 1.85 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 0.92 0.00 0.00 1.18 0.00 0.00 115 D 8.70 5.15 0.00 2.96 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 0.00 116 G 7.44 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 0.00 0.00 0.00 0.00 117 V 8.33 4.86 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 0.90 0.00 0.00 0.93 0.00 0.00 118 A 9.28 5.41 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 0.00 119 Y 8.57 4.98 0.00 2.61 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 0.00 120 S 7.97 3.89 0.00 3.62 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.95 3.72 0.00 1.61 1.57 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.48 7.81 122 H 9.18 4.48 0.00 3.10 3.18 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.