NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1401 8.2493 123.5833 52.0414 20.3701 176.8479 *2 S 4.2858 7.7715 114.3469 59.5171 65.6066 173.5054 3 K 3.9971 8.2238 120.6327 59.5215 31.7118 179.6816 4 L 4.0757 7.8807 118.9091 57.7359 41.5089 178.9393 5 D 4.4249 8.3733 119.1115 57.5694 40.7564 179.1585 6 R 4.0571 8.0907 118.4544 59.1848 30.0097 179.1524 7 I 3.8998 7.8920 119.5917 64.6553 37.1416 178.7492 8 R 3.9465 8.2315 118.8934 59.3516 29.7439 178.6453 9 H 4.0776 8.5654 118.3501 59.1440 29.7733 177.0530 10 F 3.8008 8.1458 122.4159 61.0786 38.9803 176.9674 11 L 3.6562 7.9960 118.6150 57.7234 41.4936 179.0454 12 N 4.7959 7.9928 118.1214 56.3906 38.6991 176.5731 13 E 3.8591 7.8390 118.7471 58.7844 29.4725 178.2414 14 N 4.6149 6.9766 113.2476 51.6744 39.0600 174.7676 15 K 3.8013 7.5951 117.7259 57.5756 30.2784 175.0484 16 S 4.8625 8.1366 112.5323 56.6113 64.2368 173.8288 17 G 4.0407 8.2747 112.1864 46.7740 0.0000 172.8642 18 L 4.8792 7.8398 121.5584 53.9606 46.2472 173.2381 19 A 5.2014 9.0819 128.3870 50.3307 21.7845 175.4703 20 I 4.5881 9.0304 123.4868 59.6917 39.4874 174.7973 21 V 4.5452 8.7991 129.0899 61.4434 32.4151 176.4569 22 S 4.5346 9.1379 121.1834 58.3978 65.2833 174.3482 23 D 4.5610 8.7479 122.0434 53.2740 41.8529 174.8989 24 P 4.2133 0.0000 0.0000 65.6705 31.2606 178.7893 25 V 3.5993 8.1580 117.1524 66.3186 31.3567 178.3122 26 T 3.9739 7.8479 115.0442 66.4418 68.3914 176.6539 27 V 3.6662 8.1358 120.5559 66.1654 31.5139 177.5779 28 N 4.5793 8.2897 117.9845 56.3032 38.5705 175.9751 29 Y 4.1623 8.1046 120.0133 60.9685 38.9671 177.9555 30 L 4.0414 8.2174 118.7301 56.6536 41.9381 177.8035 31 T 4.5366 7.8532 105.8294 60.0804 70.2140 175.1809 32 G 3.8822 8.5941 109.9729 45.3015 0.0000 172.8560 33 F 4.5641 8.1792 123.3981 56.8585 39.8401 173.7646 34 D 4.6486 7.9412 127.8992 52.4008 42.1355 174.9015 35 C 4.2024 7.9627 126.1082 57.9039 34.4231 172.2723 36 D 4.5831 8.3940 127.1886 52.1199 40.9608 173.9603 37 P 4.4477 0.0000 0.0000 62.8216 33.3590 178.0466 38 H 4.1992 8.0104 117.8791 57.7071 27.9362 175.4865 39 E 4.4375 9.2521 126.8434 57.1568 29.6001 175.6940 40 R 4.4369 7.9891 119.4737 55.1305 31.4375 175.6814 41 Q 4.0710 8.6729 119.5076 55.0405 30.0893 175.5051 *43 F 4.6586 8.1381 116.1752 57.5323 40.7489 174.0670 44 L 4.8831 8.7867 125.7601 53.6998 43.9723 175.0931 45 F 4.9438 9.4730 126.5321 56.3790 40.3804 175.3632 46 V 4.3205 8.6273 126.6671 61.2488 31.6465 174.5898 47 Y 4.6626 8.3739 124.7925 57.7167 38.1428 175.7982 48 E 4.1323 9.3870 124.5419 58.3750 30.9450 177.8361 49 N 4.8884 7.9559 116.3339 52.8489 39.6066 173.3131 50 R 4.7106 7.9070 113.3647 53.6544 34.5646 174.9830 51 E 4.1140 8.4850 117.3086 55.9017 30.0426 174.9881 52 P 4.9153 0.0000 0.0000 62.6004 32.7005 175.2437 53 A 5.3592 9.0690 121.3985 50.5631 23.0373 174.7627 54 L 5.3844 9.4464 122.8065 53.3377 44.8339 174.7692 55 F 5.1193 9.3657 128.9078 56.6021 41.3065 174.7948 56 V 4.4344 7.6898 117.7525 58.6991 36.7869 172.7381 57 P 4.1144 0.0000 0.0000 62.7498 31.9688 177.4613 58 A 3.8062 8.6949 125.3126 55.5729 17.9845 179.9747 59 L 3.8529 7.7942 116.9873 58.0361 42.2673 178.0612 60 E 4.4461 8.2002 116.4382 56.5633 29.8240 178.2371 61 V 3.4692 7.5919 119.4740 65.7782 31.7349 177.5814 62 A 3.9328 7.8863 119.9646 55.1970 18.0858 179.4437 63 R 3.8334 7.8846 115.0209 59.4634 30.5937 178.0141 64 A 3.3355 7.9018 120.5124 55.1559 18.0430 179.8301 65 S 3.9904 7.9481 112.7608 61.5385 62.9066 176.7892 66 S 4.3082 7.7165 115.4456 60.1205 62.9806 175.1758 67 V 4.3542 7.3793 113.1000 60.6398 32.7458 175.1718 68 L 4.5456 7.4741 119.3166 52.9635 44.2659 175.5587 69 D 4.8184 8.2909 120.6804 53.8192 41.4364 175.1710 70 F 5.2147 6.8923 110.8484 53.4989 41.8223 172.2139 71 P 4.5352 0.0000 0.0000 62.8285 32.2735 175.7558 72 V 5.2881 8.5025 123.3028 61.1928 34.1695 174.3372 73 F 5.1912 9.8132 121.8092 55.9591 42.0369 173.6275 74 G 4.5203 8.4248 104.9099 45.7467 0.0000 171.2042 75 Y 5.2856 8.0509 115.9355 55.6729 41.5183 175.4671 76 V 4.1079 8.9454 115.5585 60.3099 32.9318 177.1692 77 D 4.3974 8.3285 120.9433 56.8742 40.7500 177.9741 78 S 4.3795 8.0593 112.0969 59.3407 63.5550 173.6901 79 E 4.6689 8.0173 121.2896 54.6845 31.4119 175.6205 80 N 4.5844 8.5809 120.6888 52.6401 39.9288 174.3718 81 P 3.8344 0.0000 0.0000 65.3566 31.3383 178.6212 82 W 4.1683 7.3402 118.3449 59.6784 29.0273 178.2779 83 Q 4.0271 8.5133 118.0789 58.7854 28.1586 178.7771 84 K 4.0263 8.1627 120.6331 59.4924 32.2949 178.7837 85 I 3.6303 7.6651 120.4254 64.3287 36.8033 178.2007 86 K 3.7020 7.7095 118.5790 59.5760 32.0689 178.3829 87 A 4.2068 8.1476 120.0159 54.6254 18.3620 179.2470 88 G 3.4779 8.0776 103.2082 45.0614 0.0000 173.9075 89 L 4.4073 7.2112 120.9153 52.8530 42.9437 176.6671 90 A 3.9360 8.6104 126.8334 54.1485 18.6053 177.1260 91 S 4.6481 7.8841 110.4072 56.9531 63.8791 173.0968 92 T 4.7313 8.4326 115.9638 61.3018 70.5849 172.9100 93 D 4.9170 8.2704 122.5498 53.1068 41.6734 175.3400 94 I 4.5079 8.3982 123.7339 58.8145 40.4687 174.5748 95 P 4.2915 0.0000 0.0000 65.0200 32.4624 176.4729 96 I 4.8488 7.6827 119.6818 59.3807 40.6695 174.6392 97 I 4.5839 8.6520 127.8882 59.5647 40.3207 174.2195 98 Y 4.8928 8.9740 124.5573 56.9553 39.8711 174.6178 99 A 5.3508 8.8540 123.6175 50.3484 23.9528 175.6575 100 E 4.6546 8.9347 119.1657 55.1425 28.5530 177.5977 101 F 4.4489 8.8046 123.4993 60.1950 39.3054 177.0099 102 D 4.5447 7.9043 119.6065 56.0425 41.0603 176.6347 103 N 4.6838 8.0354 116.1929 54.9268 40.0627 175.3306 104 L 4.1763 7.9072 118.1040 54.6910 42.2393 177.5371 105 N 4.7316 8.6221 121.5197 52.0912 39.9895 176.3679 106 V 3.6594 8.1752 119.4843 66.1989 31.5708 177.9352 107 T 3.8534 7.9164 115.1833 66.7286 68.3068 176.5508 108 K 4.3664 8.8418 120.5997 59.3134 32.0624 179.2072 109 F 4.0915 8.3636 121.0098 61.4767 39.0665 177.1922 110 Q 3.8160 8.2280 116.8426 58.6330 28.7291 178.7501 111 G 2.0000 7.3747 106.5430 47.1580 0.0000 175.7554 112 L 4.1965 7.6006 122.1083 57.5071 41.3911 179.6432 113 Q 4.0268 7.5786 117.2414 58.4811 28.5879 178.2707 114 T 3.9614 7.3346 110.1245 63.6178 68.9784 176.5437 115 V 3.7165 7.4126 119.9678 63.7718 32.3865 175.3494 116 F 4.8894 7.8943 116.5372 55.8133 40.8573 175.1603 117 E 4.3807 9.2191 125.2221 55.9209 30.5170 175.6020 118 G 4.6116 8.0097 113.5158 46.0561 0.0000 169.9380 119 R 4.7498 8.1171 120.6801 55.0591 31.6078 175.2431 120 F 5.2824 9.1140 124.5944 56.3777 40.9134 174.8427 121 E 4.6337 8.9245 121.3020 54.2945 34.0334 174.4600 122 N 3.8537 8.0209 119.9331 52.4680 39.4592 175.3267 123 L 4.3491 8.8860 127.6315 56.9359 42.3638 178.5230 124 T 3.7697 8.0941 116.0770 66.4865 68.3420 174.4165 125 P 4.2707 0.0000 0.0000 65.5397 31.1638 178.3819 126 F 4.0209 7.9489 117.9236 61.1650 39.3030 176.6842 127 I 3.5579 7.3206 118.4191 64.6483 36.9667 177.7426 128 H 4.3101 7.7172 115.6447 58.4616 28.5999 178.9792 129 K 3.8950 7.6266 119.9581 56.3770 32.2531 176.6993 *131 R 3.9782 8.0680 121.8055 55.9460 30.4166 175.5318 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 A 8.25 4.14 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 *2 S 7.77 4.29 0.00 4.09 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 3 K 8.22 4.00 0.00 1.66 1.71 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.36 7.81 4 L 7.88 4.08 0.00 1.71 1.72 0.98 1.12 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 5 D 8.37 4.42 0.00 2.98 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 6 R 8.09 4.06 0.00 2.18 2.21 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 7 I 7.89 3.90 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.94 0.97 0.00 0.00 8 R 8.23 3.95 0.00 2.04 2.01 0.00 3.29 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 9 H 8.57 4.08 0.00 3.34 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.15 3.80 0.00 2.06 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 11 L 8.00 3.66 0.00 1.85 1.93 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.99 4.80 0.00 2.75 2.83 0.00 0.00 6.74 7.18 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 13 E 7.84 3.86 0.00 1.74 1.73 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 2.16 2.18 0.00 14 N 6.98 4.61 0.00 2.07 2.67 0.00 0.00 7.06 8.84 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 15 K 7.60 3.80 0.00 1.88 1.86 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.29 7.81 16 S 8.14 4.86 0.00 4.04 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 17 G 8.27 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 18 L 7.84 4.88 0.00 1.59 1.32 0.29 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19 A 9.08 5.20 1.28 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 0.00 0.00 20 I 9.03 4.59 1.94 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.73 0.00 0.00 21 V 8.80 4.55 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 1.15 0.00 0.00 0.98 0.00 0.00 22 S 9.14 4.53 0.00 4.10 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 0.00 23 D 8.75 4.56 0.00 2.75 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 24 P 0.00 4.21 0.00 2.16 2.32 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 25 V 8.16 3.60 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 1.10 0.00 0.00 0.92 0.00 0.00 26 T 7.85 3.97 4.40 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 1.29 0.00 0.00 27 V 8.14 3.67 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 1.25 0.00 0.00 1.03 0.00 0.00 28 N 8.29 4.58 0.00 2.92 2.97 0.00 0.00 6.37 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 29 Y 8.10 4.16 0.00 2.99 3.23 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 0.00 30 L 8.22 4.04 0.00 1.72 1.74 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.85 4.54 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 1.46 0.00 0.00 32 G 8.59 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 33 F 8.18 4.56 0.00 3.08 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 34 D 7.94 4.65 0.00 2.66 2.34 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 35 C 7.96 4.20 0.00 2.12 2.45 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 36 D 8.39 4.58 0.00 2.57 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 0.00 0.00 0.00 0.00 37 P 0.00 4.45 0.00 2.39 2.20 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 38 H 8.01 4.20 0.00 3.31 2.54 0.00 5.66 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.25 4.44 0.00 1.98 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 2.27 2.28 0.00 40 R 7.99 4.44 0.00 1.89 1.95 0.00 3.00 0.00 0.00 2.92 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 41 Q 8.67 4.07 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.39 0.00 0.00 0.00 0.00 0.00 2.10 1.69 0.00 *43 F 8.14 4.66 0.00 2.66 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 44 L 8.79 4.88 0.00 1.85 1.57 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.47 4.94 0.00 3.21 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 46 V 8.63 4.32 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 1.02 0.00 0.00 0.92 0.00 0.00 47 Y 8.37 4.66 0.00 3.11 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 48 E 9.39 4.13 0.00 2.21 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 0.00 2.32 2.25 0.00 49 N 7.96 4.89 0.00 2.65 2.70 0.00 0.00 6.72 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 50 R 7.91 4.71 0.00 1.58 1.58 0.00 2.21 0.00 0.00 2.58 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 51 E 8.48 4.11 0.00 2.14 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 0.00 2.30 2.41 0.00 52 P 0.00 4.92 0.00 0.74 1.77 0.00 3.44 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.78 0.00 53 A 9.07 5.36 1.59 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 54 L 9.45 5.38 0.00 2.15 1.71 1.08 0.45 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 55 F 9.37 5.12 0.00 2.96 3.13 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 56 V 7.69 4.43 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 0.76 0.00 0.00 0.78 0.00 0.00 57 P 0.00 4.11 0.00 1.87 1.61 0.00 3.53 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 58 A 8.69 3.81 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 59 L 7.79 3.85 0.00 1.54 1.64 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.20 4.45 0.00 2.12 2.14 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 2.24 2.46 0.00 61 V 7.59 3.47 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 1.10 0.00 0.00 0.89 0.00 0.00 62 A 7.89 3.93 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 63 R 7.88 3.83 0.00 1.88 2.12 0.00 3.30 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 64 A 7.90 3.34 0.48 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 0.00 0.00 65 S 7.95 3.99 0.00 3.93 3.89 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 66 S 7.72 4.31 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 67 V 7.38 4.35 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 0.77 0.00 0.00 1.10 0.00 0.00 68 L 7.47 4.55 0.00 1.10 0.39 0.50 0.89 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 69 D 8.29 4.82 0.00 2.61 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 70 F 6.89 5.21 0.00 3.19 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 71 P 0.00 4.54 0.00 2.27 2.10 0.00 4.05 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 72 V 8.50 5.29 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 0.81 0.00 0.00 0.77 0.00 0.00 73 F 9.81 5.19 0.00 3.20 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 74 G 8.42 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.05 5.29 0.00 3.14 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 76 V 8.95 4.11 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 0.67 0.00 0.00 1.01 0.00 0.00 77 D 8.33 4.40 0.00 2.63 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 78 S 8.06 4.38 0.00 4.01 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 79 E 8.02 4.67 0.00 2.31 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 2.34 2.30 0.00 80 N 8.58 4.58 0.00 2.83 2.89 0.00 0.00 6.84 7.71 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 81 P 0.00 3.83 0.00 1.26 0.49 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.47 0.00 82 W 7.34 4.17 0.00 3.51 3.22 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 83 Q 8.51 4.03 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 84 K 8.16 4.03 0.00 2.11 2.01 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.30 0.00 0.00 3.10 0.00 0.00 0.00 0.00 2.01 1.91 7.81 85 I 7.67 3.63 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.36 0.78 0.00 0.00 86 K 7.71 3.70 0.00 1.73 1.97 0.00 1.50 0.00 0.00 1.53 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.43 7.81 87 A 8.15 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 88 G 8.08 3.48 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 0.00 0.00 0.00 89 L 7.21 4.41 0.00 1.52 1.59 0.18 0.54 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 90 A 8.61 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.88 4.65 0.00 3.69 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 92 T 8.43 4.73 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 0.85 0.00 0.00 93 D 8.27 4.92 0.00 2.58 2.68 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 0.00 0.00 0.00 0.00 94 I 8.40 4.51 1.87 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.63 0.95 0.00 0.00 95 P 0.00 4.29 0.00 2.05 2.09 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 96 I 7.68 4.85 1.99 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 1.29 1.26 0.79 0.00 0.00 97 I 8.65 4.58 0.68 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.59 0.43 0.00 0.00 98 Y 8.97 4.89 0.00 3.03 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 99 A 8.85 5.35 1.62 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 0.00 0.00 100 E 8.93 4.65 0.00 2.15 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 0.00 2.39 2.40 0.00 101 F 8.80 4.45 0.00 3.00 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 0.00 102 D 7.90 4.54 0.00 2.65 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 0.00 103 N 8.04 4.68 0.00 2.71 3.01 0.00 0.00 7.03 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 0.00 104 L 7.91 4.18 0.00 1.73 1.68 1.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.62 4.73 0.00 3.02 2.99 0.00 0.00 5.90 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 0.00 106 V 8.18 3.66 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 1.06 0.00 0.00 0.88 0.00 0.00 107 T 7.92 3.85 4.47 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 1.32 0.00 0.00 108 K 8.84 4.37 0.00 2.09 2.36 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 2.04 1.83 7.81 109 F 8.36 4.09 0.00 2.99 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 0.00 110 Q 8.23 3.82 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.51 0.00 111 G 7.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.60 4.20 0.00 1.64 1.93 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.58 4.03 0.00 1.76 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.02 0.00 0.00 0.00 0.00 0.00 1.94 1.25 0.00 114 T 7.33 3.96 4.12 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 1.03 0.00 0.00 115 V 7.41 3.72 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 0.13 0.00 0.00 1.05 0.00 0.00 116 F 7.89 4.89 0.00 3.23 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 0.00 117 E 9.22 4.38 0.00 2.14 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 2.25 2.31 0.00 118 G 8.01 4.61 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 0.00 0.00 0.00 119 R 8.12 4.75 0.00 1.91 1.88 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 120 F 9.11 5.28 0.00 3.24 3.40 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 0.00 121 E 8.92 4.63 0.00 1.16 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 1.92 1.98 0.00 122 N 8.02 3.85 0.00 1.80 2.47 0.00 0.00 6.94 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 0.00 123 L 8.89 4.35 0.00 1.92 1.77 0.72 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.09 3.77 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 1.16 0.00 0.00 125 P 0.00 4.27 0.00 2.21 2.14 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 126 F 7.95 4.02 0.00 2.20 2.58 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 0.00 127 I 7.32 3.56 1.79 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 1.66 1.03 0.74 0.00 0.00 128 H 7.72 4.31 0.00 3.22 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.63 3.89 0.00 1.82 1.66 0.00 1.94 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.47 7.81 *131 R 8.07 3.98 0.00 1.61 1.60 0.00 2.21 0.00 0.00 2.77 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 * Residues marked with a * may have inaccurate shift predictions.