NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 H 4.8231 8.4444 117.8350 55.2207 30.1762 172.6652 19 V 3.2088 8.3908 124.4803 61.1368 31.7579 173.8001 20 S 2.8152 8.0451 121.2572 56.0568 66.9224 172.4689 21 F 4.6236 6.3464 118.1530 55.7830 42.6867 174.9208 22 K 4.4684 9.4673 121.8021 56.6920 33.9787 176.8033 23 R 5.2079 8.9668 118.9214 53.1879 30.0209 173.3985 24 P 4.8074 0.0000 0.0000 62.6818 33.7492 176.7949 25 A 4.8797 8.2918 122.9748 49.8197 22.1590 175.0985 26 W 4.9317 9.3130 122.5623 54.9332 31.9118 174.4358 27 L 4.7135 8.7942 128.8028 53.8433 43.5162 175.3860 28 G 4.0939 8.0547 113.4613 46.3809 0.0000 170.8263 29 D 5.8500 7.7301 121.3677 52.3373 39.5958 178.7427 30 S 4.2335 8.6278 110.8970 60.5982 63.2807 175.6426 31 I 3.9903 7.6495 121.1929 63.3590 37.2536 176.8326 32 T 4.3020 7.6463 115.3225 64.8470 69.7073 175.2639 33 A 3.9544 8.0543 124.4577 52.7903 18.6395 177.6818 34 N 4.6873 8.5449 117.6805 53.5310 38.0766 175.8773 35 N 4.3213 8.2472 117.0020 56.3770 38.6776 175.4686 36 G 3.8086 7.6547 106.7676 45.4943 0.0000 173.6689 37 L 4.1374 8.2372 117.1533 54.8363 41.8632 176.7402 38 A 4.6494 7.1148 122.8311 50.3277 20.5762 177.4309 39 T 3.8492 8.5880 113.7165 63.4713 69.2896 174.5580 40 V 4.0108 7.6487 122.0175 60.6220 32.2637 175.2054 41 H 4.0533 8.6757 125.3206 54.4528 30.7346 175.8099 42 Y 4.1288 8.6925 120.9615 60.9577 37.4969 178.6100 43 H 3.1480 5.6910 116.0497 57.3768 28.3306 177.1608 44 D 4.2117 7.1208 121.5700 57.0924 40.6888 178.4734 45 I 3.5772 7.2895 119.8333 64.3519 37.0959 178.5812 46 L 3.3973 7.5056 119.5450 57.3521 41.1650 179.1936 47 A 4.0859 8.0080 120.9268 55.2720 18.0336 179.6140 48 A 3.9472 7.4891 117.7273 55.3960 18.5385 179.2791 49 D 4.4765 7.8034 116.3773 57.2641 41.0077 178.6012 50 W 4.5834 8.5160 117.8879 56.5817 30.4497 175.4360 51 D 4.3973 7.8448 117.4017 55.2485 39.0020 173.7046 52 V 4.2023 7.4705 112.2051 61.2821 32.9892 177.1766 53 E 4.2098 9.1706 123.0047 59.3760 29.6426 177.2716 54 R 4.5942 7.6171 112.2487 55.8430 32.6605 174.7001 55 S 4.9090 8.5651 115.3411 57.7175 64.3925 172.9014 56 D 4.6482 9.4129 129.4222 53.4176 41.7502 175.8534 57 N 4.9731 8.8626 124.1801 52.2436 39.1402 174.9457 58 L 4.7969 8.8313 131.4700 54.1598 42.4689 176.8221 59 G 3.9754 8.1793 106.0904 45.8613 0.0000 174.3793 60 I 4.7543 8.2983 123.9637 58.9164 40.3125 175.1920 61 S 4.3127 8.7344 121.8062 59.4991 62.7959 174.7060 62 G 3.7239 8.8558 114.6584 45.7422 0.0000 173.4407 63 S 4.5948 7.4381 114.9187 58.0557 63.0880 173.3811 64 T 4.9544 8.7924 116.4787 59.7453 71.2746 175.5666 65 I 3.7538 9.6136 124.2603 64.3998 37.6021 177.3400 66 G 4.0849 8.5481 109.2528 44.3074 0.0000 174.2096 67 S 4.2891 8.6145 112.5612 61.1053 63.1758 176.9549 68 R 3.5550 7.5899 118.7626 58.6555 29.9531 176.6692 69 Y 4.5195 8.0325 118.3825 56.8470 40.6990 174.8085 70 D 4.1619 9.0433 125.3456 54.6956 38.4076 173.2656 71 A 4.8640 7.6826 121.2701 51.5616 18.9339 177.8432 *73 A 4.4237 8.3246 117.3529 51.9009 20.6540 178.1905 74 V 4.2689 7.5640 113.9651 64.2476 33.2516 177.4940 75 R 4.1074 8.4552 117.7941 58.5443 29.3657 178.1603 76 Y 4.2033 8.1521 117.4034 59.8869 37.4755 178.2609 77 Q 4.0322 6.8252 117.3702 58.1618 28.8058 177.5821 78 A 4.1935 8.0034 121.0094 52.6641 18.7390 177.8022 79 I 3.6765 7.1159 119.2648 60.3984 37.8477 174.4825 80 P 4.4556 0.0000 0.0000 62.4064 31.8866 176.8090 81 E 4.0935 9.1898 123.6413 59.3226 29.4796 177.2417 82 D 4.7762 8.0876 114.6411 52.6765 39.8493 175.9808 83 A 4.0938 7.8054 123.1499 53.7719 18.4862 177.5586 84 D 4.8871 8.1853 120.9346 52.8335 40.4873 176.1213 85 F 4.4281 7.0888 118.6695 57.5353 42.8903 172.4393 86 I 4.2538 7.0687 125.4825 59.1070 40.7504 173.9622 87 A 4.8724 7.9399 128.8748 49.8562 21.9190 174.9983 88 V 4.3749 8.1249 122.3628 61.0810 33.4079 174.4750 89 F 5.3668 9.0833 131.2279 55.1687 39.5288 173.4639 90 G 4.3398 8.5850 109.4439 44.0380 0.0000 168.1601 91 G 4.5544 9.4999 108.0979 46.4379 0.0000 176.7154 92 V 3.6224 8.1364 119.7573 64.9882 31.1408 178.1497 93 N 4.5253 8.1919 116.4978 55.7534 38.4566 176.9195 94 D 4.3306 8.0786 120.0813 57.5683 40.8424 177.9153 95 Y 2.8069 7.4921 120.0070 60.3097 38.5969 178.2720 96 G 2.1770 7.8845 105.5069 45.7350 0.0000 174.1742 97 R 4.3238 7.1770 118.6378 55.4076 30.9059 175.4857 98 D 4.4615 7.3631 115.2300 55.3885 38.3798 174.4013 99 Q 4.2071 8.1695 119.8598 54.8953 30.0762 173.6459 100 P 4.4332 0.0000 0.0000 63.1316 32.2054 177.0320 101 L 3.5757 8.7836 124.9092 56.3947 42.5434 177.8508 102 G 4.2339 8.0713 105.9588 45.1493 0.0000 172.0532 103 Q 3.9937 8.5882 116.7473 53.3683 32.8004 173.8125 104 Y 3.7062 7.5007 120.5275 60.2215 38.6290 176.3113 105 G 3.7961 8.4711 114.4551 45.2543 0.0000 173.1993 106 D 4.5890 8.0309 120.1643 54.6380 41.3248 176.5343 107 C 4.9231 8.2984 115.3274 59.3026 31.6070 175.1009 108 D 4.8760 7.5706 124.7235 54.3375 39.0320 179.5223 *110 T 4.4887 8.7026 115.4234 61.9918 70.6622 174.4546 111 T 4.9787 7.4195 111.8743 59.3795 72.8212 174.7070 112 F 4.2362 9.0379 124.5728 61.8514 39.2777 177.1599 113 Y 4.0136 7.9987 115.2480 61.1349 37.7518 178.7511 114 G 4.1646 8.1892 106.1433 46.3705 0.0000 175.4283 115 A 4.1985 8.0149 122.4593 54.2508 19.9676 178.4693 116 L 3.9196 7.3938 118.9182 54.9130 38.1356 177.2673 *119 L 3.7979 7.5934 124.1310 54.8227 44.5981 178.7521 120 L 3.6371 7.7181 118.5261 57.7901 41.2072 179.5382 121 T 3.9345 7.3718 115.2174 66.5508 68.4436 176.3934 122 G 3.5971 7.7088 108.2090 47.2059 0.0000 175.4336 123 L 4.4168 7.8368 122.1806 57.6530 41.4227 179.7120 124 Q 4.1485 8.0185 116.8346 58.8617 28.7549 178.4510 125 T 4.0225 8.0223 116.4439 66.6831 68.6267 175.8758 126 N 4.2735 8.0063 116.3647 53.5515 40.4220 175.7727 127 W 4.8460 8.2387 119.4628 54.8060 29.3303 174.8613 128 P 4.4506 0.0000 0.0000 65.3843 31.4341 177.9205 129 T 4.4218 7.8929 106.2102 61.1807 69.3070 173.8615 130 V 4.2771 7.5034 122.9432 61.1447 32.7211 174.0547 131 P 4.8095 0.0000 0.0000 62.9499 32.4313 175.2693 132 K 4.7362 8.6371 120.4704 56.1629 35.3122 174.5026 133 L 5.0387 8.5443 120.4875 54.9434 44.4502 174.0803 134 F 4.9446 9.1428 119.4008 56.2657 41.0844 174.8271 135 I 4.6787 8.8154 123.8160 59.5751 39.9687 174.6872 136 S 4.9143 8.8040 123.1585 56.6875 64.8767 173.9892 137 A 4.6743 8.7049 125.3440 51.7723 19.0729 177.3855 138 I 3.6540 8.2464 120.2053 61.3012 38.3183 175.6889 139 H 4.3722 8.3862 125.2425 56.7133 30.2956 174.5460 140 I 4.6682 9.1315 119.9079 60.5497 39.7134 176.3583 141 G 4.4463 8.8006 111.3940 45.6666 0.0000 174.0078 142 S 5.3726 8.6898 116.3375 57.7681 63.8739 174.4131 143 D 4.6479 8.0139 119.3852 55.0667 41.1296 177.6583 144 F 4.1249 8.2117 121.8425 62.2430 39.7850 174.8872 145 G 4.0828 9.7134 104.7479 43.3309 0.0000 174.1791 146 G 3.7853 7.9938 109.7784 47.4510 0.0000 174.6585 147 S 4.4679 8.5936 120.5350 58.4591 62.9708 175.5139 148 F 4.3961 8.1878 122.2566 56.7951 36.4916 174.1141 149 S 4.9813 8.0255 117.4535 56.0210 65.0999 173.9490 150 A 4.5709 9.1221 126.7256 52.8931 17.9674 177.7905 151 V 4.2199 7.2376 114.3260 63.1263 33.4822 175.2580 152 T 5.1290 7.4416 110.5483 60.0107 72.3410 173.5895 153 N 4.5767 9.1703 121.4129 51.4238 38.8127 176.0726 154 G 3.6503 8.6047 107.1062 47.9154 0.0000 174.2548 155 L 4.3273 7.9679 117.6075 54.3415 42.2885 177.1808 156 G 3.8156 8.3946 107.4931 45.4173 0.0000 173.1285 157 Y 4.9044 7.4758 117.0197 56.6178 39.7468 175.4288 158 R 4.9032 9.0621 122.2760 55.4570 31.5959 177.6133 159 Q 3.1154 8.2299 120.7943 59.1538 28.7457 178.9296 160 S 3.6700 7.7619 114.2410 60.7544 63.0030 176.0646 161 D 4.2742 7.9083 123.2952 57.4871 40.5377 178.1678 162 Y 3.5786 7.8175 116.8079 60.7443 37.9403 177.6492 163 E 3.8577 8.0656 120.0755 59.3499 29.6641 178.8457 164 A 3.9731 8.3108 120.8454 54.7966 18.1267 179.5189 165 A 3.5937 7.5161 118.7483 55.1932 18.4492 179.5119 166 I 3.5577 7.6123 116.7845 64.3445 37.3647 177.9748 167 A 4.1554 7.8120 121.4053 55.4592 17.8634 179.9818 168 Q 4.0656 7.7951 112.1389 57.4414 28.3194 178.2960 *170 T 4.0000 7.8379 112.5096 61.5856 70.9325 175.9090 171 A 4.0100 7.7842 125.1348 55.0541 18.4452 179.2185 172 D 4.3762 7.8134 113.8543 56.7247 40.8737 176.8689 173 Y 4.3830 7.9780 114.5269 56.9997 38.5498 175.9162 174 G 3.8802 8.1324 107.3464 46.2206 0.0000 173.7120 175 V 4.1419 7.7166 120.1706 60.8864 32.0947 174.3127 176 P 4.5741 0.0000 0.0000 63.5232 32.6883 174.6632 177 H 5.2463 8.9590 122.3585 54.3967 32.3916 172.5462 178 L 3.4103 8.8786 129.3511 53.5971 43.1651 175.5935 179 S 4.6009 8.0311 123.2438 56.8629 62.4861 174.4818 180 L 3.9240 8.4540 128.9151 57.4762 41.9114 179.1915 181 Y 3.9502 8.2691 118.9978 60.8601 38.6672 177.7742 182 R 4.1560 8.0422 116.6973 58.6030 30.1984 177.2880 183 D 4.8258 7.9280 113.9599 53.7501 42.3573 177.5917 184 A 3.8121 7.6963 121.9631 53.4494 18.4392 178.5144 185 G 3.6267 7.2014 103.7400 46.2418 0.0000 173.2509 *187 T 3.7507 7.6099 112.4533 61.6130 68.0180 174.1497 188 F 5.0697 8.8260 125.4858 58.2261 39.2728 176.6612 189 A 4.1421 7.9438 123.9440 53.7110 18.6661 178.1640 190 I 4.2576 7.3177 116.7384 59.3761 38.0717 174.4634 191 P 4.2448 0.0000 0.0000 65.7792 29.8426 178.3066 192 A 3.9761 8.1131 118.8160 55.2718 18.2472 179.2669 193 Q 4.4611 8.0085 115.2735 58.3302 29.3221 178.1010 194 A 3.8726 8.5407 122.2511 55.0831 18.1883 179.5608 195 A 3.9379 8.1881 118.5277 54.7013 18.4307 179.2528 196 I 3.8268 6.9428 115.0927 62.8936 37.9821 176.3650 197 Y 4.7434 7.9990 115.2198 57.5138 39.3634 175.2957 198 S 4.9132 7.3757 113.4389 55.9211 65.8133 174.4471 199 V 3.7469 8.5976 122.0778 65.7476 31.3812 177.6470 200 D 4.5513 7.6788 114.6378 53.9955 40.3946 175.6390 201 T 3.2580 8.4529 108.6907 62.3813 68.0639 171.8685 202 L 4.3950 7.9073 120.6931 56.9569 44.1072 175.7848 203 H 4.7102 8.8427 116.2220 53.5547 29.7495 173.4060 204 P 4.7947 0.0000 0.0000 62.5763 32.0767 177.0685 205 N 4.8044 8.6323 120.3689 52.2596 40.9301 175.2811 206 N 4.3046 8.6925 115.8885 56.9418 38.6907 177.0385 207 A 4.2090 8.1000 121.8232 55.0822 18.4925 179.7566 208 G 3.7606 8.2531 103.8300 48.4745 0.0000 175.5704 209 H 4.3049 8.6977 118.9917 58.4502 28.6907 178.1094 210 R 3.9329 8.1958 120.1510 59.1710 29.9121 179.2253 211 V 3.5582 7.7210 117.4009 66.1242 31.5382 177.8864 212 I 3.6243 7.9068 119.3876 64.5470 36.9230 178.1319 213 A 4.0747 8.3665 121.5433 55.2613 18.0932 179.9566 214 R 3.9062 7.9020 115.9925 59.3846 30.0952 179.4648 215 K 4.0205 8.1100 118.2943 59.2676 31.9463 179.1836 216 L 4.0804 8.1783 120.6892 58.3073 42.0911 178.7576 217 Q 4.2019 8.4173 119.5447 59.3373 28.8850 178.3634 218 S 4.1783 8.5443 116.4472 61.7605 62.6002 176.3648 219 F 4.1131 8.7033 123.4977 61.4775 39.0379 177.0921 220 L 4.4391 8.6737 118.7913 58.1804 41.2481 179.2889 221 D 4.5181 8.1932 117.9698 56.4113 40.8573 177.8749 222 S 4.5344 7.7355 112.3509 58.7427 63.8252 174.1772 223 H 4.4767 7.7827 117.2747 55.3252 30.3065 173.7639 224 F 4.8612 7.8466 116.7779 55.5399 42.5436 174.3534 225 L 4.4044 8.4368 122.9240 54.2197 43.3591 176.5693 226 E 4.0180 8.5699 119.3949 56.8601 30.3788 173.8455 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 18 H 8.44 4.82 0.00 3.18 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.39 3.21 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 0.09 0.00 0.00 1.04 0.00 0.00 20 S 8.05 2.82 0.00 3.27 3.37 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 21 F 6.35 4.62 0.00 2.54 3.05 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 22 K 9.47 4.47 0.00 1.69 2.01 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.56 7.81 23 R 8.97 5.21 0.00 1.79 1.84 0.00 3.17 0.00 0.00 3.36 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 24 P 0.00 4.81 0.00 1.60 2.49 0.00 4.11 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 25 A 8.29 4.88 0.92 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 26 W 9.31 4.93 0.00 3.12 3.18 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 0.00 27 L 8.79 4.71 0.00 1.52 1.42 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.05 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 0.00 0.00 0.00 29 D 7.73 5.85 0.00 2.77 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 30 S 8.63 4.23 0.00 3.96 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 31 I 7.65 3.99 1.43 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.65 0.00 0.00 32 T 7.65 4.30 4.37 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 1.29 0.00 0.00 33 A 8.05 3.95 1.24 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 0.00 0.00 0.00 34 N 8.54 4.69 0.00 2.80 2.90 0.00 0.00 6.13 8.04 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 35 N 8.25 4.32 0.00 2.70 2.91 0.00 0.00 6.95 7.65 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 36 G 7.65 3.81 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 0.00 0.00 0.00 37 L 8.24 4.14 0.00 1.59 1.66 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.11 4.65 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 39 T 8.59 3.85 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 1.16 0.00 0.00 40 V 7.65 4.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.86 0.00 0.00 41 H 8.68 4.05 0.00 2.69 2.64 0.00 5.89 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.69 4.13 0.00 3.21 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 43 H 5.69 3.15 0.00 1.49 1.31 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.12 4.21 0.00 2.67 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 45 I 7.29 3.58 1.90 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 1.44 0.90 0.83 0.00 0.00 46 L 7.51 3.40 0.00 1.03 0.13 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.01 4.09 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 48 A 7.49 3.95 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 49 D 7.80 4.48 0.00 2.63 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 50 W 8.52 4.58 0.00 3.43 3.32 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 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0.00 0.00 77 Q 6.83 4.03 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 78 A 8.00 4.19 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 79 I 7.12 3.68 1.53 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 1.03 0.53 0.20 0.00 0.00 80 P 0.00 4.46 0.00 2.22 2.02 0.00 3.55 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 2.26 2.10 0.00 81 E 9.19 4.09 0.00 1.98 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 2.27 2.25 0.00 82 D 8.09 4.78 0.00 2.87 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 83 A 7.81 4.09 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 84 D 8.19 4.89 0.00 2.78 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 85 F 7.09 4.43 0.00 1.51 2.23 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0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 130 V 7.50 4.28 2.31 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 0.70 0.00 0.00 1.13 0.00 0.00 131 P 0.00 4.81 0.00 1.81 1.92 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 132 K 8.64 4.74 0.00 1.63 1.47 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.49 7.81 133 L 8.54 5.04 0.00 2.19 2.13 1.01 1.53 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 0.00 134 F 9.14 4.94 0.00 3.01 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 0.00 135 I 8.82 4.68 0.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.74 -0.14 0.00 0.00 136 S 8.80 4.91 0.00 3.80 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 0.00 137 A 8.70 4.67 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 0.00 138 I 8.25 3.65 1.41 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.43 -0.12 0.00 0.00 139 H 8.39 4.37 0.00 2.58 2.89 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 9.13 4.67 2.21 0.00 0.00 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 1.55 1.02 1.07 0.00 0.00 141 G 8.80 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 0.00 142 S 8.69 5.37 0.00 3.91 3.94 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 0.00 143 D 8.01 4.65 0.00 2.72 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 0.00 144 F 8.21 4.12 0.00 2.85 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 0.00 145 G 9.71 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 0.00 0.00 0.00 0.00 146 G 7.99 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 0.00 147 S 8.59 4.47 0.00 3.77 3.62 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 0.00 148 F 8.19 4.40 0.00 3.54 3.16 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 0.00 149 S 8.03 4.98 0.00 3.86 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 0.00 150 A 9.12 4.57 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 0.00 151 V 7.24 4.22 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 0.91 0.00 0.00 1.00 0.00 0.00 152 T 7.44 5.13 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 1.30 0.00 0.00 153 N 9.17 4.58 0.00 2.52 1.87 0.00 0.00 7.14 6.54 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 0.00 154 G 8.60 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 0.00 0.00 0.00 155 L 7.97 4.33 0.00 1.77 1.65 1.20 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.39 3.82 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 0.00 0.00 0.00 157 Y 7.48 4.90 0.00 3.39 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 0.00 158 R 9.06 4.90 0.00 1.93 1.88 0.00 3.20 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 159 Q 8.23 3.12 0.00 0.95 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.91 0.00 0.00 0.00 0.00 0.00 2.07 1.82 0.00 160 S 7.76 3.67 0.00 3.90 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 0.00 161 D 7.91 4.27 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 7.82 3.58 0.00 2.92 2.48 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 0.00 163 E 8.07 3.86 0.00 1.70 1.53 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 1.80 2.20 0.00 164 A 8.31 3.97 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 0.00 165 A 7.52 3.59 0.69 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 0.00 166 I 7.61 3.56 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.00 0.75 0.00 0.00 167 A 7.81 4.16 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 0.00 168 Q 7.80 4.07 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.33 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 *170 T 7.84 4.00 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 0.56 0.00 0.00 171 A 7.78 4.01 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 0.00 172 D 7.81 4.38 0.00 2.67 2.47 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 0.00 173 Y 7.98 4.38 0.00 2.86 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 0.00 174 G 8.13 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 0.00 175 V 7.72 4.14 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 0.95 0.00 0.00 1.03 0.00 0.00 176 P 0.00 4.57 0.00 2.54 2.18 0.00 3.95 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.14 0.00 177 H 8.96 5.25 0.00 3.09 3.19 0.00 5.73 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 0.00 178 L 8.88 3.41 0.00 0.37 1.06 0.51 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.03 4.60 0.00 3.77 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 0.00 180 L 8.45 3.92 0.00 1.94 1.57 0.68 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 8.27 3.95 0.00 3.05 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 0.00 182 R 8.04 4.16 0.00 2.06 1.99 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 183 D 7.93 4.83 0.00 2.89 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 0.00 184 A 7.70 3.81 1.20 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 0.00 185 G 7.20 3.63 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 0.00 0.00 0.00 *187 T 7.61 3.75 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 1.15 0.00 0.00 188 F 8.83 5.07 0.00 3.23 2.97 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 0.00 0.00 0.00 189 A 7.94 4.14 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 0.00 190 I 7.32 4.26 1.91 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 1.50 1.00 0.94 0.00 0.00 191 P 0.00 4.24 0.00 2.16 2.13 0.00 3.63 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 192 A 8.11 3.98 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 0.00 193 Q 8.01 4.46 0.00 2.51 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 194 A 8.54 3.87 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 0.00 195 A 8.19 3.94 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 0.00 196 I 6.94 3.83 1.44 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 -0.04 0.00 0.00 197 Y 8.00 4.74 0.00 3.43 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 0.00 198 S 7.38 4.91 0.00 3.27 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 0.00 199 V 8.60 3.75 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 0.77 0.00 0.00 0.89 0.00 0.00 200 D 7.68 4.55 0.00 2.91 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 0.00 201 T 8.45 3.26 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 1.26 0.00 0.00 202 L 7.91 4.40 0.00 1.35 1.42 0.83 -0.80 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 0.00 203 H 8.84 4.71 0.00 3.16 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 4.79 0.00 1.88 2.11 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.25 0.00 205 N 8.63 4.80 0.00 2.91 2.94 0.00 0.00 6.93 7.13 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 0.00 206 N 8.69 4.30 0.00 2.82 2.90 0.00 0.00 6.75 7.35 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 0.00 207 A 8.10 4.21 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 0.00 208 G 8.25 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 0.00 209 H 8.70 4.30 0.00 3.37 3.46 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 R 8.20 3.93 0.00 2.11 2.02 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 211 V 7.72 3.56 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 0.90 0.00 0.00 0.92 0.00 0.00 212 I 7.91 3.62 2.03 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 1.39 0.55 0.66 0.00 0.00 213 A 8.37 4.07 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 0.00 214 R 7.90 3.91 0.00 2.06 2.02 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 215 K 8.11 4.02 0.00 1.76 1.85 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.53 7.81 216 L 8.18 4.08 0.00 2.05 1.88 1.53 1.03 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 0.00 217 Q 8.42 4.20 0.00 2.43 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 218 S 8.54 4.18 0.00 4.17 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 0.00 219 F 8.70 4.11 0.00 3.24 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 0.00 220 L 8.67 4.44 0.00 2.31 1.86 1.27 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 221 D 8.19 4.52 0.00 2.88 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 0.00 222 S 7.74 4.53 0.00 3.86 3.94 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 0.00 223 H 7.78 4.48 0.00 2.86 2.77 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 F 7.85 4.86 0.00 3.19 2.92 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 0.00 225 L 8.44 4.40 0.00 1.67 1.61 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 226 E 8.57 4.02 0.00 2.08 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 2.11 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.