NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0518 8.1600 109.1375 45.4949 0.0000 175.8128 2 Q 3.9440 8.6165 121.5479 59.0344 28.8878 176.7430 3 T 3.9324 8.7255 117.6980 66.9898 69.0053 176.0865 4 T 3.9591 7.9944 117.1775 66.5858 68.2262 176.2933 5 F 4.2775 7.9627 121.4886 61.6329 39.5799 177.1259 6 T 3.8239 8.1582 114.6833 66.5523 68.6064 176.2678 7 E 4.1212 8.6861 119.9285 59.0990 29.3816 179.0532 8 L 3.7740 7.7615 118.0903 55.7071 41.8332 178.3445 *10 Q 4.3182 8.0003 117.8521 55.7076 30.8506 177.6275 11 Q 3.9282 8.0220 116.7077 58.7852 28.6193 178.2975 12 L 3.6662 7.7685 121.3100 58.4776 42.1385 179.2433 13 F 4.2023 7.5683 116.7480 60.1923 38.6191 177.6969 14 L 4.0137 7.5690 117.7813 57.6904 41.5423 179.0643 15 K 4.0660 7.9586 118.4607 59.4703 32.2588 178.5836 16 L 4.1196 8.2654 118.1665 54.9436 42.2274 176.9644 17 G 4.0283 7.5677 106.6801 46.5636 0.0000 173.3826 18 L 4.7545 7.6461 116.4385 52.2676 44.0224 177.0585 19 N 4.4732 8.6823 121.1066 54.0024 39.0658 173.6731 20 H 5.0516 8.0417 116.0761 54.6431 31.9295 172.1822 21 Q 4.6558 9.0925 117.4117 54.0382 32.5960 175.0371 22 V 4.5075 7.9268 120.8104 61.1959 34.5800 175.1425 23 N 4.7320 8.5216 126.1092 51.1436 39.2123 175.5368 24 E 3.9534 8.5314 115.2957 59.4990 28.3262 177.4654 25 N 4.5742 8.4529 115.5545 52.8516 38.3192 174.8945 26 D 4.5930 7.6695 116.1288 55.2125 39.3310 173.3928 27 V 4.4086 7.3963 119.1588 62.4438 32.9904 174.1058 28 Y 4.9359 9.8093 126.4832 57.0765 39.8350 174.6924 29 T 5.3673 9.0276 121.2366 61.8888 71.7768 173.2960 30 F 5.3407 8.9612 119.3629 55.5959 42.2086 172.4983 31 E 5.0778 8.9988 119.6380 54.4979 32.0510 175.0783 32 V 4.5024 8.9844 119.8888 60.0793 35.0071 175.5188 33 D 4.4352 9.2567 121.9393 56.9226 38.3821 174.2650 34 G 4.3867 8.5091 101.2584 46.1640 0.0000 173.5473 35 H 4.7958 7.9353 112.9526 56.0981 33.9268 173.3855 36 I 3.9044 7.7810 122.1668 60.2531 37.3036 174.8126 37 Q 4.5943 8.3999 129.1048 55.0653 30.0268 174.7957 38 V 4.5888 8.2025 126.8192 60.9851 34.4008 174.0449 39 L 5.5207 9.1210 127.1446 53.0926 45.0188 175.4038 40 I 5.3224 9.5795 123.3337 59.6421 40.6549 174.4648 41 A 5.0587 9.2878 127.4600 50.3382 23.1030 174.0360 42 C 4.6977 7.9287 120.1329 57.7631 33.2435 172.4229 43 Y 4.2444 9.0615 124.8356 57.1240 39.6108 176.0193 44 H 3.9227 9.0182 120.2810 56.9727 25.8992 174.5504 45 Q 3.5790 8.2731 114.6263 56.7527 26.5825 175.1497 46 Q 4.3353 7.9542 114.5846 55.5729 34.9466 174.4581 47 W 5.1066 8.4954 119.4625 54.7245 32.1420 175.0694 48 V 4.5423 9.1056 126.2618 62.1058 32.8144 174.3406 49 Q 5.2428 9.3893 129.2923 54.4766 31.7907 173.9570 50 L 4.9020 9.0627 127.2797 53.7796 43.6352 175.6113 51 F 5.4602 9.1196 124.1162 57.2507 43.5716 172.9284 52 S 4.6179 8.2049 118.7176 56.9168 66.2827 172.3843 53 E 4.3726 8.5353 127.9288 55.4533 30.0470 175.6594 54 L 3.9839 8.7628 126.7369 54.8833 41.7554 177.2972 55 G 3.9852 8.5802 111.7940 45.4661 0.0000 175.2385 56 A 4.5588 7.3948 123.4672 50.1378 21.4898 174.8907 57 D 4.8493 8.4816 115.7968 52.9191 42.3079 176.0825 58 L 4.7246 8.1463 124.0221 51.9519 43.9599 174.7050 59 P 4.4332 0.0000 0.0000 62.3572 32.0877 176.1509 60 T 3.8575 8.2661 114.5495 62.3177 67.8363 172.8177 61 N 4.8390 8.3344 126.4567 51.7997 40.3778 174.7497 62 D 4.3471 8.7313 124.5284 55.6297 41.4177 175.9496 63 N 4.0537 8.1209 116.0708 53.9795 36.6456 174.1391 64 L 4.3437 7.3735 115.7494 53.3290 43.4233 177.3604 65 F 4.2758 7.9121 117.0973 56.0345 39.0370 175.0513 66 G 3.9628 8.0362 108.0075 45.4271 0.0000 174.3970 67 E 4.1004 7.6154 118.8918 57.6305 30.1750 175.6141 68 H 4.8607 7.3313 113.4836 53.5049 32.5723 172.4697 69 W 4.6162 8.5456 120.9481 54.2378 30.7512 173.8417 70 P 4.6251 0.0000 0.0000 61.4279 31.9311 176.0321 71 A 4.1574 8.0924 120.9933 52.1332 18.8366 176.3569 72 H 5.1805 8.4235 116.6313 54.0348 30.9864 174.2090 73 V 3.9598 8.2944 123.5181 60.7423 34.0262 173.7821 74 Q 4.8082 9.2416 130.0525 54.7907 30.1773 174.4136 75 G 4.5925 9.0337 114.3995 44.5882 0.0000 170.9335 76 R 5.3204 8.2420 116.9358 54.6064 34.1357 176.0742 77 L 4.0842 9.1121 119.1933 55.5413 44.5965 174.4423 78 D 4.6431 9.8245 128.0864 55.5716 38.3412 174.6861 79 G 3.9253 8.5025 102.7623 45.9718 0.0000 173.7341 80 K 4.5833 7.5204 119.0060 53.8513 34.2876 175.9301 81 S 4.9466 8.6063 120.3617 58.8310 63.9738 173.3293 82 I 5.0088 8.8558 116.7362 59.0680 41.7325 173.6102 83 L 5.2673 8.8264 124.2526 53.1496 45.4202 175.0925 84 W 6.0288 9.0310 121.5922 55.9054 32.3483 173.2158 85 S 5.3206 9.0801 113.5706 57.7103 65.6734 173.0302 86 Q 5.7927 9.0374 121.7389 55.3268 31.8357 173.4642 87 Q 4.9103 9.3169 117.6304 54.9644 32.5327 173.7901 88 S 3.9890 8.3735 115.0844 57.5837 63.8444 174.4245 89 L 3.9944 8.6793 126.0841 57.6829 42.1292 177.3839 90 V 3.7598 7.4998 118.5811 63.8743 31.7453 175.1825 91 G 3.9621 8.6759 114.0942 46.1868 0.0000 172.3471 92 L 4.2706 7.7628 121.3380 53.6744 42.6752 175.5221 93 D 5.0804 8.2296 124.5202 51.0769 42.4218 175.3957 94 I 3.8369 8.2388 118.1721 64.1887 38.4190 176.8837 95 D 4.4975 8.2949 119.9383 57.5529 40.9064 179.9870 96 E 4.3245 8.2877 119.5392 56.2523 29.1593 178.4577 *98 Q 4.1268 8.3441 119.1817 55.5945 31.0043 176.7344 99 A 4.1066 8.4129 119.9071 54.9202 18.2330 179.4581 100 W 4.3539 8.8244 127.3252 60.6271 30.7472 177.9288 101 L 3.7901 8.0259 119.8383 58.1525 41.5143 178.5264 102 E 4.0298 8.3453 118.4401 59.5534 29.5236 179.5452 103 R 4.0521 8.3549 118.0393 59.2670 30.2187 178.9108 104 F 4.0356 8.6597 120.5814 61.3586 39.3295 176.8417 105 I 3.6014 8.1271 119.7622 64.8949 37.1271 178.0934 106 D 4.3409 8.2909 119.2570 57.1992 40.5665 178.5508 107 D 4.2200 8.0292 118.3850 57.3667 40.8421 177.8627 108 I 3.4085 7.1916 120.2989 64.7686 36.9175 177.7615 109 E 3.9211 8.0044 117.7559 59.8671 29.7610 179.1698 110 Q 4.1135 7.8728 118.6423 58.9196 28.9959 177.9180 111 R 4.0681 8.2497 117.9446 58.0610 30.1666 178.1589 112 K 4.2023 7.5008 116.3300 57.3236 32.3964 176.6090 113 E 4.9404 7.9513 122.7613 55.7196 29.6790 175.7958 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 1 G 8.16 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 2 Q 8.62 3.94 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 3 T 8.73 3.93 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 1.24 0.00 0.00 4 T 7.99 3.96 4.42 0.00 0.00 0.00 0.00 0.00 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 5 F 7.96 4.28 0.00 3.06 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 6 T 8.16 3.82 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 1.30 0.00 0.00 7 E 8.69 4.12 0.00 2.12 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 2.42 2.30 0.00 8 L 7.76 3.77 0.00 1.86 1.74 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *10 Q 8.00 4.32 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 11 Q 8.02 3.93 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 12 L 7.77 3.67 0.00 1.50 1.06 0.65 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.57 4.20 0.00 3.03 3.01 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 14 L 7.57 4.01 0.00 1.88 1.73 0.96 1.13 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 15 K 7.96 4.07 0.00 1.79 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.45 7.81 16 L 8.27 4.12 0.00 1.55 1.62 0.57 0.76 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 17 G 7.57 4.03 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 0.00 0.00 0.00 18 L 7.65 4.75 0.00 1.81 1.70 0.66 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.68 4.47 0.00 2.75 2.75 0.00 0.00 6.84 8.16 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 20 H 8.04 5.05 0.00 2.75 2.53 0.00 5.47 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 9.09 4.66 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 22 V 7.93 4.51 1.77 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 0.20 0.00 0.00 0.17 0.00 0.00 23 N 8.52 4.73 0.00 2.95 2.90 0.00 0.00 6.31 7.78 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 24 E 8.53 3.95 0.00 2.07 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 2.25 2.26 0.00 25 N 8.45 4.57 0.00 2.93 2.79 0.00 0.00 6.92 8.23 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 26 D 7.67 4.59 0.00 2.96 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 27 V 7.40 4.41 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 1.03 0.00 0.00 0.93 0.00 0.00 28 Y 9.81 4.94 0.00 3.20 3.08 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 29 T 9.03 5.37 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 1.24 0.00 0.00 30 F 8.96 5.34 0.00 3.22 3.09 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 31 E 9.00 5.08 0.00 1.98 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 0.00 2.18 2.37 0.00 32 V 8.98 4.50 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 0.99 0.00 0.00 1.00 0.00 0.00 33 D 9.26 4.44 0.00 2.86 2.76 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 34 G 8.51 4.39 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 0.00 35 H 7.94 4.80 0.00 3.16 3.33 0.00 5.56 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.78 3.90 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.03 0.74 0.00 0.00 37 Q 8.40 4.59 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 38 V 8.20 4.59 0.67 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 1.06 0.00 0.00 0.77 0.00 0.00 39 L 9.12 5.52 0.00 2.14 1.66 1.10 0.84 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 40 I 9.58 5.32 2.20 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 1.27 1.25 1.12 0.00 0.00 41 A 9.29 5.06 1.13 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 42 C 7.93 4.70 0.00 1.23 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 0.00 0.00 0.00 43 Y 9.06 4.24 0.00 3.00 2.72 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 44 H 9.02 3.92 0.00 3.60 3.56 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.27 3.58 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 46 Q 7.95 4.34 0.00 1.86 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 47 W 8.50 5.11 0.00 3.47 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 48 V 9.11 4.54 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.14 0.00 0.00 49 Q 9.39 5.24 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 50 L 9.06 4.90 0.00 0.76 0.33 -0.81 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.12 5.46 0.00 3.25 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 52 S 8.20 4.62 0.00 3.93 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.54 4.37 0.00 2.12 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 2.27 2.39 0.00 54 L 8.76 3.98 0.00 1.62 1.60 0.82 1.06 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 55 G 8.58 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 56 A 7.39 4.56 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 57 D 8.48 4.85 0.00 2.64 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 58 L 8.15 4.72 0.00 1.56 1.53 0.92 1.07 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 59 P 0.00 4.43 0.00 2.15 2.03 0.00 3.74 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 60 T 8.27 3.86 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 1.19 0.00 0.00 61 N 8.33 4.84 0.00 2.81 2.62 0.00 0.00 7.10 8.47 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 62 D 8.73 4.35 0.00 2.64 2.67 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 63 N 8.12 4.05 0.00 2.78 2.79 0.00 0.00 6.94 8.12 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 64 L 7.37 4.34 0.00 1.43 1.22 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.91 4.28 0.00 2.81 2.93 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 0.00 0.00 0.00 0.00 66 G 8.04 3.96 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 0.00 0.00 0.00 67 E 7.62 4.10 0.00 1.77 1.78 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 1.77 2.14 0.00 68 H 7.33 4.86 0.00 3.14 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.55 4.62 0.00 3.26 3.10 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 70 P 0.00 4.63 0.00 2.28 1.98 0.00 3.33 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.30 0.00 71 A 8.09 4.16 1.10 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 72 H 8.42 5.18 0.00 2.89 3.18 0.00 5.66 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 73 V 8.29 3.96 0.67 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 0.69 0.00 0.00 0.20 0.00 0.00 74 Q 9.24 4.81 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.40 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 75 G 9.03 4.59 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 76 R 8.24 5.32 0.00 1.70 1.84 0.00 3.27 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 77 L 9.11 4.08 0.00 1.79 1.61 0.96 1.28 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 78 D 9.82 4.64 0.00 2.88 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 79 G 8.50 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.52 4.58 0.00 2.04 1.74 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.53 7.81 81 S 8.61 4.95 0.00 3.76 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 82 I 8.86 5.01 1.58 0.00 0.00 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 1.27 1.00 0.97 0.00 0.00 83 L 8.83 5.27 0.00 1.50 1.22 0.82 0.55 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 84 W 9.03 6.03 0.00 3.59 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 85 S 9.08 5.32 0.00 4.15 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.04 5.79 0.00 2.45 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 87 Q 9.32 4.91 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.04 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 88 S 8.37 3.99 0.00 3.35 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 89 L 8.68 3.99 0.00 1.76 1.64 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.50 3.76 1.94 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 0.77 0.00 0.00 0.82 0.00 0.00 91 G 8.68 3.96 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 0.00 0.00 0.00 92 L 7.76 4.27 0.00 1.59 1.77 0.97 1.30 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 93 D 8.23 5.08 0.00 2.75 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 94 I 8.24 3.84 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.89 0.00 0.00 95 D 8.29 4.50 0.00 2.89 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 96 E 8.29 4.32 0.00 2.09 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 0.00 2.28 2.35 0.00 *98 Q 8.34 4.13 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 99 A 8.41 4.11 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 100 W 8.82 4.35 0.00 3.58 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 0.00 101 L 8.03 3.79 0.00 1.66 1.76 1.07 0.74 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 0.00 102 E 8.35 4.03 0.00 2.38 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 2.38 2.40 0.00 103 R 8.35 4.05 0.00 2.38 2.30 0.00 3.36 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 104 F 8.66 4.04 0.00 2.90 3.09 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 0.00 105 I 8.13 3.60 1.95 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 0.95 0.00 0.00 106 D 8.29 4.34 0.00 2.89 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 0.00 107 D 8.03 4.22 0.00 2.84 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 0.00 108 I 7.19 3.41 1.74 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.17 0.72 0.00 0.00 109 E 8.00 3.92 0.00 2.05 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 2.31 2.54 0.00 110 Q 7.87 4.11 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 111 R 8.25 4.07 0.00 1.66 1.90 0.00 3.08 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 112 K 7.50 4.20 0.00 1.74 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.60 7.81 113 E 7.95 4.94 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.