NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5914 8.4449 120.3895 55.9179 30.9801 172.3833 *2 Q 4.5180 8.4275 124.9337 56.3755 29.7028 174.7793 3 T 4.7807 8.7203 117.8177 62.1010 73.2962 172.8412 4 Q 4.9437 8.6909 122.9005 54.2628 32.1471 175.0809 5 I 4.4666 8.6822 122.7564 59.3900 41.3802 174.1021 6 K 4.6867 8.4822 128.1589 55.1705 33.4345 175.9928 7 V 3.8985 8.7577 128.6395 62.9491 32.7194 175.3129 8 R 4.7816 8.5319 125.8865 53.8221 33.2957 177.1209 9 G 3.6714 8.6597 108.7092 48.9974 0.0000 174.9224 10 Y 4.3892 7.5452 115.2419 58.3251 38.6831 175.9035 11 H 4.4572 7.6650 118.3412 57.4624 29.3285 175.5660 12 L 4.7792 7.2433 119.1087 53.9196 42.1719 175.1883 13 D 5.1612 8.2211 119.6468 51.0898 42.0896 176.5342 14 V 3.4740 8.4750 117.4047 65.3375 29.7538 176.3743 15 Y 4.1943 8.3853 116.2165 57.5229 37.8025 175.7689 16 Q 3.5581 8.5887 117.9712 57.1970 27.0544 172.7747 17 H 5.3319 7.4792 110.6123 53.4905 33.3817 173.2807 18 V 3.9877 8.4282 120.8811 63.1422 32.0529 175.5435 19 N 4.6491 8.5850 126.4594 53.1934 39.8963 175.2541 20 N 4.2085 9.1187 122.7267 56.6066 39.1352 177.3095 21 A 4.1853 8.0104 120.2714 54.9363 19.0378 179.4144 22 R 3.7125 7.7913 115.6939 59.6064 29.8880 178.3244 23 Y 3.8259 7.4666 115.2789 60.8432 37.7525 178.5531 24 L 4.1205 7.9515 119.9270 57.5871 41.6056 179.3504 25 E 4.0648 7.9476 118.3894 59.3251 29.5325 178.9921 26 F 4.5510 8.0384 117.8541 60.8649 39.1432 177.7860 27 L 4.1013 8.3614 118.6007 57.7145 41.3291 179.2098 28 E 3.9793 8.5824 119.5229 59.1258 29.5535 178.2745 29 E 4.1327 8.8713 119.6970 59.5784 29.8269 178.7927 30 A 4.1162 8.0104 121.8391 54.6207 18.3824 179.9130 31 R 3.7532 7.8444 116.3319 58.9847 30.0569 179.2157 32 W 4.0119 8.3681 118.9529 59.7272 28.8696 177.8433 33 D 4.5382 8.3342 117.0271 57.6396 40.7294 178.5093 34 G 3.6942 7.8309 104.0417 47.1702 0.0000 175.2653 35 L 3.9879 7.5552 120.6714 55.8733 41.2747 177.5469 36 E 4.3579 8.1737 117.1358 57.2815 30.0822 176.1018 37 N 4.3150 8.8870 116.4773 54.7048 37.5925 173.5683 38 S 4.7072 7.5361 111.9723 55.8261 63.1734 174.0969 39 D 4.3719 8.8085 127.9547 57.4574 40.9663 177.7742 40 S 4.7090 7.6818 113.6671 61.6811 63.1067 175.1546 41 F 4.6113 8.6799 124.6362 60.7988 39.1852 176.2073 42 Q 4.0002 8.0538 121.0826 57.1274 29.0161 177.9257 43 W 4.5926 7.7050 128.8128 58.4731 31.2874 177.2728 *45 T 4.2824 7.9449 113.6671 63.2084 69.8752 176.5074 46 A 4.0941 7.5584 121.4897 55.2677 18.6432 177.8889 47 H 4.5251 8.3659 111.5405 55.3336 28.8827 175.8832 48 N 4.2927 8.4953 116.1301 53.8523 36.9801 173.3006 49 I 4.4435 7.3368 119.1600 60.4931 38.0285 175.0902 50 A 4.6669 8.3155 126.9202 50.0403 23.3305 174.4153 51 F 5.0784 8.5477 117.6120 56.9009 40.4177 175.9928 52 V 4.4554 8.8573 122.6660 61.0602 34.4610 174.3941 53 V 4.4109 8.6450 128.3980 62.9358 31.5724 175.7647 54 V 4.3901 8.7587 120.6552 61.8906 33.7853 175.6236 55 N 4.9771 7.8337 117.7860 52.3314 42.4558 173.0637 56 I 4.9483 8.3672 125.4645 59.5091 40.7438 174.2187 57 N 4.8336 9.0634 125.7015 51.8431 41.1846 172.5343 58 I 4.7508 8.2047 126.1661 59.0723 40.9996 173.9561 59 N 4.7201 8.8452 126.9292 51.9159 40.5829 173.4182 60 Y 4.2893 8.4422 121.6788 57.9243 39.1735 174.4368 61 R 4.2314 8.9045 124.0322 56.3258 30.9760 179.1591 62 R 4.0848 5.8400 129.3769 56.2146 31.6157 173.4588 63 P 4.7378 0.0000 0.0000 62.5725 32.1895 175.9239 64 A 4.5805 9.1682 126.5286 51.6742 20.2313 177.0399 65 V 4.7836 9.3439 114.4053 58.4519 35.2270 174.8445 66 L 4.0286 8.3065 121.8588 57.4522 41.8213 177.3463 67 S 4.2000 8.8808 120.6652 58.4322 61.6858 169.6003 68 D 4.4755 7.9117 121.6408 54.3141 42.0000 175.1682 69 L 4.7020 8.5196 124.8808 53.7667 43.7077 174.7303 70 L 5.0596 8.9082 127.4930 53.5877 44.1519 175.7585 71 T 4.9745 8.7827 119.6670 61.8276 71.5388 173.1065 72 I 4.8160 9.2059 127.7799 59.9076 39.8015 174.6022 73 T 4.8511 8.9416 124.6918 61.8282 70.6747 173.6604 74 S 5.3182 8.5156 121.9587 56.9548 66.2656 173.3813 75 Q 4.5504 8.6991 122.9434 54.5142 32.9203 173.1566 76 L 4.2445 8.5626 128.5230 55.6187 42.0835 175.8664 77 Q 4.4016 9.2735 128.3656 58.0864 30.2183 175.5173 78 Q 4.6033 7.6813 115.1594 54.8728 33.6867 174.2549 79 L 4.5425 8.1994 120.6382 53.0058 42.8122 176.7477 80 N 4.6238 8.6138 120.7601 52.5045 40.0462 175.3328 81 G 3.8629 8.4961 106.0277 47.2843 0.0000 175.0047 82 K 4.4951 7.6494 115.8210 55.7310 35.0025 175.5126 83 S 4.5278 7.5198 112.1646 57.2398 66.4335 173.1561 84 G 3.9908 7.9157 106.9486 44.1727 0.0000 171.6264 85 I 4.9643 8.5996 120.9941 59.1837 40.5345 174.3425 86 L 5.0219 9.1031 130.0527 53.4164 44.2266 174.8645 87 S 5.0575 8.9225 121.6545 57.2816 64.4213 172.7016 88 Q 4.9539 9.0937 125.3171 54.1713 32.4596 174.1777 89 V 4.7487 8.9606 124.4077 61.0463 34.7994 174.0159 90 I 5.0464 9.0836 129.1400 59.9479 39.0778 174.8703 91 T 5.0983 8.8497 117.0441 59.7002 72.5439 172.4589 92 L 4.7638 8.6151 124.9674 53.9598 43.7126 175.5609 93 E 4.7635 8.8953 126.2324 55.3729 30.2970 174.9344 94 P 4.6546 0.0000 0.0000 63.1585 32.3589 176.4429 95 E 4.0160 8.1045 118.2458 57.6619 29.6953 177.4530 96 G 3.8821 8.5210 106.8311 45.7113 0.0000 173.5047 97 Q 4.1398 7.9069 118.1980 55.5528 30.1153 175.8600 98 V 3.8907 8.3677 123.4215 63.1905 32.2606 176.3390 99 V 4.0153 9.5347 128.3387 64.3511 32.9386 175.3752 100 A 4.8731 7.4928 118.8347 51.1318 22.5200 174.7989 101 D 5.1181 8.4857 118.3922 51.8529 43.0732 174.3316 102 A 5.1143 9.2601 122.7100 50.2696 23.6504 174.4761 103 L 4.9693 8.6727 118.9092 52.9842 44.8965 175.7895 104 I 4.7357 9.0477 125.4249 59.9898 39.3269 174.7644 105 T 4.9486 8.9487 125.6461 62.3881 70.1089 174.3198 106 F 5.5478 8.5399 120.2060 55.4987 42.3746 173.4776 107 V 4.7850 9.0758 111.4404 60.2209 36.7250 174.8566 108 C 5.5405 8.4649 119.4510 57.2571 28.8126 172.1364 109 I 4.0622 8.0520 123.6813 61.0420 38.1444 174.9578 110 D 4.7251 9.3031 129.6093 52.9669 41.3876 177.6465 111 L 4.1934 8.1581 121.2695 55.8576 41.0701 178.6390 112 K 4.2624 8.0353 120.7386 58.0730 32.9255 177.4664 113 T 4.4561 7.2313 104.6142 60.0332 70.0748 174.9161 114 Q 3.6194 8.7503 121.8762 56.6129 29.1009 172.5043 115 K 4.6236 7.5071 115.7331 55.5163 35.4169 174.4896 116 A 5.5084 8.2374 122.3350 50.3695 19.9731 176.7943 117 L 4.3029 8.3770 124.9539 53.7771 43.4562 176.0544 118 A 4.6988 8.6751 126.9648 51.9478 18.7450 177.8323 119 L 3.9111 9.0127 123.0743 58.2823 42.0191 179.4417 120 E 4.0118 8.3366 117.8020 59.1032 30.9458 179.3376 121 G 4.2101 8.0157 109.4251 45.2439 0.0000 174.1919 122 E 4.6257 8.6288 120.8680 56.1241 29.5956 177.1793 123 L 4.4300 7.7058 120.4209 55.5115 44.5642 179.1742 124 R 3.9311 8.5898 118.4442 60.0995 29.7155 178.7761 125 E 4.0179 8.1241 117.6865 59.2564 29.6241 179.8450 126 K 4.3502 8.3267 118.9795 60.3567 32.7506 179.4394 127 L 4.1709 7.9545 118.9347 57.0367 41.6259 178.8399 128 E 4.3567 8.9218 118.8037 57.7969 30.4509 177.0874 129 Q 4.2443 7.6578 115.7664 53.5616 28.3535 172.8251 *131 V 3.7358 7.7854 121.8915 63.0320 32.1151 175.3689 132 K 4.1958 8.5854 125.6841 56.7619 31.9036 177.2097 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 0 H 8.44 4.59 0.00 3.14 3.26 0.00 5.73 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 *2 Q 8.43 4.52 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.66 0.00 3 T 8.72 4.78 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 Q 8.69 4.94 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 5 I 8.68 4.47 1.29 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.47 0.11 0.00 0.00 6 K 8.48 4.69 0.00 1.70 1.67 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.46 7.81 7 V 8.76 3.90 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 0.91 0.00 0.00 0.93 0.00 0.00 8 R 8.53 4.78 0.00 0.75 1.63 0.00 3.36 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 9 G 8.66 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 10 Y 7.55 4.39 0.00 3.05 3.06 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 0.00 0.00 0.00 11 H 7.67 4.46 0.00 3.28 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.24 4.78 0.00 1.61 1.61 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.22 5.16 0.00 2.93 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 14 V 8.48 3.47 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 0.11 0.00 0.00 0.67 0.00 0.00 15 Y 8.39 4.19 0.00 3.17 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 16 Q 8.59 3.56 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 17 H 7.48 5.33 0.00 3.08 3.18 0.00 5.64 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 18 V 8.43 3.99 1.63 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 -0.25 0.00 0.00 0.94 0.00 0.00 19 N 8.58 4.65 0.00 2.89 2.59 0.00 0.00 7.06 6.87 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 20 N 9.12 4.21 0.00 2.68 2.69 0.00 0.00 6.97 7.54 0.00 0.00 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 A 8.01 4.19 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 22 R 7.79 3.71 0.00 1.75 1.62 0.00 3.11 0.00 0.00 2.99 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 23 Y 7.47 3.83 0.00 3.46 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 24 L 7.95 4.12 0.00 2.01 1.77 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.95 4.06 0.00 2.13 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 0.00 2.45 2.39 0.00 26 F 8.04 4.55 0.00 3.30 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 27 L 8.36 4.10 0.00 1.90 1.97 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.58 3.98 0.00 2.24 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 2.79 2.41 0.00 29 E 8.87 4.13 0.00 2.32 2.36 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 2.37 2.46 0.00 30 A 8.01 4.12 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 31 R 7.84 3.75 0.00 1.81 1.61 0.00 2.79 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.00 32 W 8.37 4.01 0.00 3.56 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 33 D 8.33 4.54 0.00 2.87 2.90 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 34 G 7.83 3.69 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 0.00 0.00 0.00 35 L 7.56 3.99 0.00 1.45 0.49 0.17 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.17 4.36 0.00 2.29 2.32 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 2.63 2.34 0.00 37 N 8.89 4.31 0.00 2.93 2.97 0.00 0.00 6.81 7.63 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 38 S 7.54 4.71 0.00 4.14 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 39 D 8.81 4.37 0.00 2.68 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 40 S 7.68 4.71 0.00 4.13 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 0.00 41 F 8.68 4.61 0.00 3.14 3.12 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 42 Q 8.05 4.00 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.22 0.00 43 W 7.71 4.59 0.00 3.53 3.35 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 *45 T 7.94 4.28 4.17 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 1.16 0.00 0.00 46 A 7.56 4.09 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 47 H 8.37 4.53 0.00 3.12 3.25 0.00 5.97 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.50 4.29 0.00 2.93 2.88 0.00 0.00 6.99 7.07 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 49 I 7.34 4.44 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.77 0.00 0.00 50 A 8.32 4.67 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 51 F 8.55 5.08 0.00 2.86 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 52 V 8.86 4.46 2.18 0.00 0.00 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 0.00 0.00 1.00 0.00 0.00 53 V 8.64 4.41 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 0.93 0.00 0.00 0.92 0.00 0.00 54 V 8.76 4.39 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 0.72 0.00 0.00 0.97 0.00 0.00 55 N 7.83 4.98 0.00 2.72 2.58 0.00 0.00 6.99 7.81 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 56 I 8.37 4.95 1.88 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 1.23 0.80 0.89 0.00 0.00 57 N 9.06 4.83 0.00 2.89 2.61 0.00 0.00 6.18 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 58 I 8.20 4.75 1.66 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.74 0.69 0.00 0.00 59 N 8.85 4.72 0.00 2.68 2.61 0.00 0.00 6.64 7.10 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 60 Y 8.44 4.29 0.00 2.76 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 61 R 8.90 4.23 0.00 1.88 1.46 0.00 3.12 0.00 0.00 3.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 62 R 5.84 4.08 0.00 1.86 1.92 0.00 3.10 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 1.64 1.62 0.00 63 P 0.00 4.74 0.00 1.69 1.90 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 64 A 9.17 4.58 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 65 V 9.34 4.78 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 0.79 0.00 0.00 1.05 0.00 0.00 66 L 8.31 4.03 0.00 1.59 1.61 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.88 4.20 0.00 4.10 4.06 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 0.00 0.00 0.00 68 D 7.91 4.48 0.00 2.73 2.60 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 69 L 8.52 4.70 0.00 1.74 1.53 0.88 0.62 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 L 8.91 5.06 0.00 1.53 1.54 0.97 0.60 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 71 T 8.78 4.97 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 72 I 9.21 4.82 1.88 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 0.98 0.93 0.00 0.00 73 T 8.94 4.85 4.17 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 0.94 0.00 0.00 74 S 8.52 5.32 0.00 3.64 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 75 Q 8.70 4.55 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 76 L 8.56 4.24 0.00 1.69 1.59 1.10 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.27 4.40 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.42 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 78 Q 7.68 4.60 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 79 L 8.20 4.54 0.00 1.56 1.55 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.61 4.62 0.00 2.79 2.75 0.00 0.00 6.89 7.12 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 81 G 8.50 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 0.00 0.00 0.00 82 K 7.65 4.50 0.00 1.64 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.32 7.81 83 S 7.52 4.53 0.00 3.76 3.80 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 84 G 7.92 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 85 I 8.60 4.96 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.51 0.88 0.00 0.00 86 L 9.10 5.02 0.00 1.78 1.52 0.89 0.40 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 87 S 8.92 5.06 0.00 3.90 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 88 Q 9.09 4.95 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 89 V 8.96 4.75 2.05 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 1.09 0.00 0.00 0.89 0.00 0.00 90 I 9.08 5.05 1.93 0.00 0.00 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 1.37 0.66 1.04 0.00 0.00 91 T 8.85 5.10 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 92 L 8.62 4.76 0.00 1.76 1.72 1.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.90 4.76 0.00 1.98 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 0.00 2.40 2.39 0.00 94 P 0.00 4.65 0.00 2.17 2.15 0.00 3.76 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 1.92 1.96 0.00 95 E 8.10 4.02 0.00 2.20 2.05 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 2.31 2.30 0.00 96 G 8.52 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 97 Q 7.91 4.14 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 98 V 8.37 3.89 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 0.90 0.00 0.00 0.92 0.00 0.00 99 V 9.53 4.02 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 1.33 0.00 0.00 0.99 0.00 0.00 100 A 7.49 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.49 5.12 0.00 2.63 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 0.00 102 A 9.26 5.11 1.12 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 0.00 103 L 8.67 4.97 0.00 1.54 1.52 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 104 I 9.05 4.74 1.87 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 1.20 0.68 0.93 0.00 0.00 105 T 8.95 4.95 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 1.11 0.00 0.00 106 F 8.54 5.55 0.00 3.21 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 0.00 107 V 9.08 4.79 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 0.85 0.00 0.00 1.05 0.00 0.00 108 C 8.46 5.54 0.00 2.88 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 0.00 109 I 8.05 4.06 1.89 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 0.94 0.93 0.00 0.00 110 D 9.30 4.73 0.00 2.52 2.59 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 0.00 111 L 8.16 4.19 0.00 1.48 1.69 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.04 4.26 0.00 1.72 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.38 1.39 7.81 113 T 7.23 4.46 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 1.20 0.00 0.00 114 Q 8.75 3.62 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 115 K 7.51 4.62 0.00 1.74 1.72 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.51 7.81 116 A 8.24 5.51 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 0.00 117 L 8.38 4.30 0.00 2.09 1.48 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.68 4.70 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 0.00 119 L 9.01 3.91 0.00 1.81 1.78 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.34 4.01 0.00 1.92 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 2.29 2.32 0.00 121 G 8.02 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 0.00 122 E 8.63 4.63 0.00 1.89 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 0.00 2.28 2.26 0.00 123 L 7.71 4.43 0.00 1.83 1.60 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.59 3.93 0.00 1.81 2.05 0.00 3.48 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 125 E 8.12 4.02 0.00 1.90 2.53 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 2.54 2.44 0.00 126 K 8.33 4.35 0.00 2.08 1.93 0.00 1.31 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.72 1.57 7.81 127 L 7.95 4.17 0.00 1.72 1.89 1.05 1.20 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 0.00 128 E 8.92 4.36 0.00 1.98 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 2.72 2.53 0.00 129 Q 7.66 4.24 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 *131 V 7.79 3.74 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 0.82 0.00 0.00 0.86 0.00 0.00 132 K 8.59 4.20 0.00 1.80 1.72 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.