NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.4876 8.2548 109.1149 45.2832 0.0000 174.9921 17 I 3.7193 7.2685 120.5096 63.6128 37.4055 175.4449 18 T 4.0198 7.7637 116.4318 63.5766 70.4145 173.3275 19 G 3.5837 7.8547 113.2362 45.0121 0.0000 171.7785 20 T 4.6600 7.7480 119.6461 61.5219 70.4646 174.3872 21 W 4.7047 8.0185 125.2617 54.8682 32.9967 174.1123 22 Y 5.3283 9.1348 119.7619 56.5064 41.8267 174.6881 23 N 5.4392 8.6210 119.6741 51.5032 40.1682 174.3686 24 Q 4.4007 8.7527 116.3458 56.6211 29.0525 176.2372 25 L 4.5257 8.5379 117.4475 54.4015 42.2250 177.2624 26 G 3.9160 8.4715 106.6394 45.3757 0.0000 172.8778 27 A 4.9703 7.9836 121.0886 51.2228 20.8781 177.0748 28 T 4.9250 8.5268 116.7889 61.6610 72.8895 173.1849 29 F 5.2150 8.5370 119.4981 55.0076 42.0242 173.0927 30 I 4.8078 8.6793 121.2683 59.1942 40.3877 174.5624 31 V 4.9661 8.9938 128.6110 60.2197 35.1377 174.3470 32 T 4.7443 8.6907 119.1253 61.8707 70.9679 173.3608 33 A 4.5965 8.8164 129.7376 50.0956 19.4155 177.1581 34 G 3.7333 9.2700 111.3840 45.9691 0.0000 173.5470 35 A 4.1689 8.5922 124.2112 54.0098 18.5230 178.0762 36 D 4.5488 8.0979 113.8921 53.1016 40.1344 177.3823 37 G 3.3628 8.4571 109.2146 44.9059 0.0000 173.2540 38 A 4.9150 8.1337 121.7628 51.2748 20.6578 176.5470 39 L 5.2960 8.7596 119.8865 53.1314 44.7997 175.9876 40 T 4.9057 8.6017 113.2213 59.8372 72.6232 174.4076 41 G 4.7463 7.4439 108.3863 46.3846 0.0000 171.3935 42 T 5.1694 7.6965 114.8102 61.9594 73.2572 172.3949 43 Y 4.9712 9.2105 126.6991 55.8596 41.6804 173.6565 44 E 5.2980 9.1071 129.1878 54.8172 30.9151 176.3908 45 S 4.9013 9.5367 122.3235 60.2166 64.2762 174.4143 46 A 4.3997 7.8698 122.3011 50.4104 21.1572 177.4664 47 V 4.7845 8.1037 123.1005 63.2327 28.7347 175.1810 *50 A 4.3243 7.8765 126.1047 51.7814 20.6833 178.3528 51 E 4.0260 8.0167 112.4493 57.0190 29.4977 176.8434 52 S 4.9263 7.8801 113.0073 58.0738 64.4147 173.2458 53 R 5.3283 7.8440 118.2859 55.4616 31.9761 175.1520 54 Y 4.8920 9.0829 119.4418 55.9454 42.6581 175.0160 55 V 4.2844 8.6151 122.2096 62.9270 32.7823 175.0689 56 L 5.0853 8.6914 126.6785 54.4444 43.4692 175.1569 57 T 4.8970 8.4012 114.7284 61.5010 71.5187 173.1454 58 G 4.1502 8.6555 111.1383 46.6913 0.0000 172.3292 59 R 5.6439 8.7192 119.0824 55.1710 35.0481 173.9313 60 Y 5.2479 8.4838 118.1222 55.5990 41.4434 174.5462 61 D 4.3021 9.2346 120.8723 54.1354 40.4267 176.7579 62 S 4.2735 8.1116 120.5636 58.9294 64.1081 174.2894 63 A 4.6907 8.1421 123.3507 50.1600 18.4979 173.4575 64 P 4.6903 0.0000 0.0000 61.0772 32.6568 176.9229 65 A 4.2591 8.3330 121.8903 52.5340 19.3286 177.6129 66 T 4.7336 8.1902 108.0510 61.2993 68.5462 174.2643 67 D 4.7544 8.0200 115.1020 53.6589 40.8530 176.9104 68 G 3.9979 8.5360 107.9695 45.6185 0.0000 174.4452 69 S 4.3741 7.9171 115.6175 58.0891 63.5605 174.3598 70 G 4.0416 8.3176 110.2739 46.0560 0.0000 172.4700 71 T 4.8063 8.7015 116.5703 61.5779 70.0828 174.9041 72 A 4.8352 8.6982 129.3044 52.2635 19.8990 175.8259 73 L 5.0068 8.9969 119.7307 55.5371 44.4225 173.9989 74 G 4.6914 9.2031 105.8439 45.3090 0.0000 172.0733 75 W 5.8668 8.7993 118.4331 55.4869 32.3951 173.4382 76 T 5.2865 9.3293 116.6634 61.8467 72.2910 173.4810 77 V 4.4840 8.8251 123.8380 61.0380 34.5974 173.9212 78 A 4.4658 8.2566 129.9269 49.7927 20.0353 177.6339 79 W 4.2730 8.5746 126.5989 56.5245 27.8820 176.4097 80 K 5.3221 8.0280 119.6666 54.7398 34.9586 174.6039 81 N 4.9109 8.8544 121.2683 52.1158 39.6610 174.2248 82 N 4.0211 8.4244 113.6914 55.5072 38.7574 175.1569 83 Y 4.7214 8.2712 114.5828 57.9716 40.2320 175.3723 84 R 4.5784 7.7339 114.4709 55.7353 32.4516 173.7619 85 N 5.0632 8.4545 115.7758 53.3764 40.7595 173.6456 86 A 4.3272 8.9096 128.5824 51.6022 19.7916 176.2449 87 H 4.1762 8.7566 114.2559 56.2115 26.9547 173.3727 88 S 5.2240 7.4600 111.4202 57.8527 66.9778 174.2796 89 A 4.9516 9.0988 121.1203 50.9675 22.8875 175.2351 90 T 4.8681 8.6060 118.4368 61.7246 71.5260 173.4259 91 T 4.9559 8.3876 115.9419 59.6242 71.6057 172.8413 92 W 5.0028 8.8335 125.8343 54.7581 31.6338 174.7109 93 S 4.9514 8.8602 119.7519 56.7567 64.7363 173.3127 94 G 4.1602 8.7307 112.8569 46.8188 0.0000 171.6958 95 Q 5.3293 8.4820 117.6097 54.8462 32.7775 173.5461 96 Y 4.9152 9.2171 123.3466 57.0287 40.6594 174.1414 97 V 4.1482 8.5253 126.6846 61.1689 34.0675 175.6579 98 G 4.0193 8.0304 118.4444 43.9931 0.0000 171.1127 99 G 3.7438 8.8777 104.3044 44.0246 0.0000 174.2412 100 A 4.1903 8.5241 120.6775 54.5601 18.7991 178.1727 101 E 4.6759 7.2392 114.2731 55.1005 29.3152 176.1409 102 A 4.5114 7.6483 120.4328 52.4717 19.9453 178.5494 103 R 5.2758 9.0884 118.5775 54.8030 35.5880 174.4145 104 I 4.9416 8.9878 121.7801 59.9373 39.9829 174.3681 105 N 5.3873 9.3630 126.4380 51.9172 40.4681 174.6215 106 T 5.3302 9.1336 113.4929 60.0621 73.0271 172.7171 107 Q 5.2232 9.1507 121.4913 53.9682 32.0674 174.7957 108 W 5.4668 8.6232 118.7730 54.7322 32.4761 173.8637 109 L 5.2290 9.0114 120.1508 52.9635 45.2291 175.2454 110 L 5.0307 9.3056 126.3617 53.7312 44.3128 174.8785 111 T 5.0881 8.8521 123.6760 62.0101 70.9536 173.8136 112 S 5.0950 8.6390 122.4053 56.5379 65.1367 174.4526 113 G 3.9049 8.8251 111.6021 46.6405 0.0000 173.2158 114 T 4.7859 8.2539 113.2182 59.6342 72.2647 173.5537 115 T 4.1768 8.1590 112.9862 60.8912 70.0755 175.3501 116 E 4.0118 8.7091 120.1348 59.5092 29.2328 178.9948 117 A 4.1937 8.0977 120.3839 54.1031 18.8257 178.0971 118 N 4.8619 7.8825 113.2483 53.2597 39.0818 176.6738 119 A 4.1555 8.3233 126.9322 53.9698 18.1514 180.3088 120 W 4.2710 8.4375 114.0811 58.7247 28.2330 176.8957 121 K 3.8949 6.3984 116.6691 56.1153 32.0405 177.4019 122 S 4.1647 7.7684 116.1609 60.5920 63.4566 173.4126 123 T 5.0585 7.4960 117.2045 61.7277 70.9152 173.6473 124 L 4.6340 8.8399 127.1467 53.9242 43.5999 176.3302 125 V 4.3016 7.6172 120.1023 60.3797 34.7812 175.4632 126 G 3.2007 6.5106 106.9782 46.1808 0.0000 171.5934 127 H 5.4656 8.2573 114.0699 54.4899 32.0675 172.3910 128 D 4.8833 9.2282 118.0131 53.5283 45.0953 173.8046 129 T 5.3059 8.5608 121.5121 61.9315 70.9526 173.5095 130 F 5.5553 9.5476 124.8871 56.0939 42.4881 174.6204 131 T 5.4377 9.0471 110.9690 60.1391 72.1708 174.7622 132 K 3.7452 8.6484 120.0755 57.0260 32.6074 177.1102 133 V 4.0988 7.3653 119.1891 60.4148 32.6721 175.1966 134 K 2.4800 8.1428 127.0770 56.1955 31.8332 176.1377 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 16 G 8.25 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 0.00 0.00 0.00 0.00 17 I 7.27 3.72 1.33 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.32 0.55 0.00 0.00 18 T 7.76 4.02 4.18 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 0.00 0.00 0.00 1.21 0.00 0.00 19 G 7.85 3.58 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 0.00 0.00 0.00 20 T 7.75 4.66 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 0.61 0.00 0.00 21 W 8.02 4.70 0.00 1.78 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 22 Y 9.13 5.33 0.00 2.89 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 23 N 8.62 5.44 0.00 2.66 2.44 0.00 0.00 6.92 8.73 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 24 Q 8.75 4.40 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.20 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 25 L 8.54 4.53 0.00 1.85 1.73 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.47 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 27 A 7.98 4.97 1.49 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 28 T 8.53 4.92 4.18 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 0.00 0.00 0.00 0.91 0.00 0.00 29 F 8.54 5.21 0.00 2.92 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 4.81 1.76 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 1.22 1.34 0.87 0.00 0.00 31 V 8.99 4.97 2.16 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 0.94 0.00 0.00 0.73 0.00 0.00 32 T 8.69 4.74 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 1.19 0.00 0.00 33 A 8.82 4.60 0.58 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 0.00 0.00 34 G 9.27 3.73 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 0.00 0.00 0.00 35 A 8.59 4.17 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 36 D 8.10 4.55 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 3.36 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 0.00 0.00 0.00 0.00 38 A 8.13 4.92 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 39 L 8.76 5.30 0.00 1.69 1.41 1.03 0.14 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 40 T 8.60 4.91 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 1.20 0.00 0.00 41 G 7.44 4.75 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 0.00 0.00 0.00 42 T 7.70 5.17 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 1.33 0.00 0.00 43 Y 9.21 4.97 0.00 2.92 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 44 E 9.11 5.30 0.00 2.10 1.91 0.00 0.00 0.00 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 2.32 0.00 45 S 9.54 4.90 0.00 4.06 4.43 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 46 A 7.87 4.40 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 47 V 8.10 4.78 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 0.92 0.00 0.00 1.04 0.00 0.00 *50 A 7.88 4.32 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 51 E 8.02 4.03 0.00 1.81 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 1.47 1.63 0.00 52 S 7.88 4.93 0.00 4.05 4.09 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 0.00 0.00 0.00 0.00 53 R 7.84 5.33 0.00 1.69 1.91 0.00 3.16 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 54 Y 9.08 4.89 0.00 2.81 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 55 V 8.62 4.28 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.69 5.09 0.00 1.65 1.61 0.34 -0.16 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 57 T 8.40 4.90 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 1.22 0.00 0.00 58 G 8.66 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.72 5.64 0.00 1.73 1.78 0.00 3.31 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 60 Y 8.48 5.25 0.00 3.12 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 61 D 9.23 4.30 0.00 2.78 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 S 8.11 4.27 0.00 3.89 3.43 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 63 A 8.14 4.69 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 64 P 0.00 4.69 0.00 2.28 2.19 0.00 3.45 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.33 4.26 1.36 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 0.00 0.00 0.00 66 T 8.19 4.73 4.27 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 1.25 0.00 0.00 67 D 8.02 4.75 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 68 G 8.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.37 0.00 4.00 3.84 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 70 G 8.32 4.04 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 0.00 71 T 8.70 4.81 4.56 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 1.47 0.00 0.00 72 A 8.70 4.84 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 73 L 9.00 5.01 0.00 2.06 1.93 0.93 0.56 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 74 G 9.20 4.69 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 75 W 8.80 5.87 0.00 3.33 3.15 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 0.00 0.00 0.00 76 T 9.33 5.29 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 1.21 0.00 0.00 77 V 8.83 4.48 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 -0.46 0.00 0.00 0.74 0.00 0.00 78 A 8.26 4.47 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 79 W 8.57 4.27 0.00 3.23 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 80 K 8.03 5.32 0.00 1.94 1.71 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.45 7.81 81 N 8.85 4.91 0.00 2.81 2.65 0.00 0.00 6.84 6.58 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 82 N 8.42 4.02 0.00 1.49 2.29 0.00 0.00 6.60 7.46 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 83 Y 8.27 4.72 0.00 2.93 2.94 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 0.00 0.00 0.00 84 R 7.73 4.58 0.00 1.89 2.10 0.00 3.06 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 85 N 8.45 5.06 0.00 2.70 2.66 0.00 0.00 6.90 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 86 A 8.91 4.33 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 87 H 8.76 4.18 0.00 3.31 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.46 5.22 0.00 4.02 3.95 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 89 A 9.10 4.95 1.15 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 0.00 0.00 0.00 0.00 0.00 90 T 8.61 4.87 3.58 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 -0.48 0.00 0.00 91 T 8.39 4.96 4.16 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 1.14 0.00 0.00 92 W 8.83 5.00 0.00 1.78 2.20 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 93 S 8.86 4.95 0.00 3.79 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 94 G 8.73 4.16 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 0.00 95 Q 8.48 5.33 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.22 4.92 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.53 4.15 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 0.92 0.00 0.00 0.92 0.00 0.00 98 G 8.03 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 99 G 8.88 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 0.00 0.00 0.00 100 A 8.52 4.19 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 0.00 101 E 7.24 4.68 0.00 2.11 1.91 0.00 0.00 0.00 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 2.22 0.00 102 A 7.65 4.51 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.09 5.28 0.00 1.75 2.02 0.00 3.35 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 104 I 8.99 4.94 1.76 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.36 1.12 0.00 0.00 105 N 9.36 5.39 0.00 2.70 2.82 0.00 0.00 6.11 6.90 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 0.00 106 T 9.13 5.33 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 107 Q 9.15 5.22 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 108 W 8.62 5.47 0.00 2.68 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 0.00 109 L 9.01 5.23 0.00 1.49 1.53 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.31 5.03 0.00 1.65 1.72 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.85 5.09 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 1.19 0.00 0.00 112 S 8.64 5.09 0.00 3.69 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 0.00 113 G 8.83 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 0.00 114 T 8.25 4.79 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 1.19 0.00 0.00 115 T 8.16 4.18 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 0.00 116 E 8.71 4.01 0.00 2.21 2.28 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 2.38 2.34 0.00 117 A 8.10 4.19 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 0.00 118 N 7.88 4.86 0.00 2.69 2.66 0.00 0.00 6.74 8.13 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 0.00 119 A 8.32 4.16 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 0.00 120 W 8.44 4.27 0.00 3.62 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 0.00 121 K 6.40 3.89 0.00 1.11 0.74 0.00 1.12 0.00 0.00 1.06 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.52 0.80 7.81 122 S 7.77 4.16 0.00 3.99 4.15 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 0.00 0.00 0.00 123 T 7.50 5.06 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 1.23 0.00 0.00 124 L 8.84 4.63 0.00 1.83 1.75 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.62 4.30 1.88 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 0.53 0.00 0.00 0.69 0.00 0.00 126 G 6.51 3.20 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 0.00 127 H 8.26 5.47 0.00 3.22 3.17 0.00 5.73 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 0.00 128 D 9.23 4.88 0.00 3.25 2.71 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 0.00 129 T 8.56 5.31 4.31 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 1.43 0.00 0.00 130 F 9.55 5.56 0.00 3.15 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 0.00 131 T 9.05 5.44 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 1.36 0.00 0.00 132 K 8.65 3.75 0.00 1.50 1.52 0.00 1.54 0.00 0.00 1.28 0.00 0.00 2.57 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.55 7.81 133 V 7.37 4.10 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 0.69 0.00 0.00 0.88 0.00 0.00 134 K 8.14 2.48 0.00 0.79 1.22 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.06 0.64 7.81 * Residues marked with a * may have inaccurate shift predictions.