NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.3479 8.2644 123.5935 51.8673 19.8946 174.6512 9 L 4.5816 8.5540 117.7354 52.8313 44.1335 174.9778 10 K 4.6911 10.6578 128.3849 56.1651 34.5474 175.6817 11 I 5.0489 9.0074 125.1914 59.3424 41.0062 174.1004 12 L 5.3449 9.0620 128.1649 53.4427 44.8364 174.8271 13 I 4.8995 9.3493 127.6365 59.6617 39.9592 174.9483 14 V 4.8159 9.0540 126.4225 61.3311 34.3933 173.7582 15 E 5.1240 9.1602 129.3558 54.8628 32.8017 175.5633 16 D 4.6560 8.6568 125.0897 54.0987 40.3264 176.3871 17 D 4.5981 8.5330 120.9286 53.5774 41.7691 176.1590 18 T 4.0004 8.6471 125.2738 67.1493 68.4676 176.0717 19 D 4.3912 8.1711 119.7470 57.2416 41.0065 178.4840 20 A 4.1699 8.2389 121.2352 55.0869 18.4148 179.5791 21 R 3.9067 8.5661 117.6432 59.8857 30.2061 178.7170 22 E 4.0693 8.2293 117.9411 58.9029 29.4018 179.1773 23 W 4.2094 8.4481 128.6095 60.5074 30.8469 178.0622 24 L 3.5071 8.3469 119.1352 57.7066 40.9846 179.4776 25 S 4.0650 8.1811 113.0449 61.6209 62.1682 176.1805 26 T 3.8104 8.0026 118.6982 66.6339 68.0350 176.6109 27 I 3.6022 7.1937 114.0417 64.1599 37.6840 177.9906 28 I 3.9628 7.6774 121.5396 64.2276 35.5530 178.5637 29 S 4.9134 8.2137 117.3729 61.1030 62.3280 176.4899 30 N 4.4514 7.8474 118.4338 55.6906 38.2585 175.4464 31 H 4.4961 7.4652 112.9934 55.2548 30.9401 174.4433 32 F 4.7286 8.3307 118.7834 54.9070 41.5394 174.3209 33 P 4.1664 0.0000 0.0000 65.5186 31.5993 176.8966 34 E 3.8945 7.8366 119.3921 55.0017 28.5211 174.9819 35 V 4.7713 6.9668 121.3636 60.5312 34.9689 174.1283 36 W 5.3252 9.2625 126.0250 55.0425 33.5125 174.2936 37 S 5.4886 8.8388 115.5355 57.0036 65.9798 172.7818 38 A 4.7439 9.2964 122.1252 50.6553 22.9271 176.9259 39 G 4.3103 8.6304 107.2066 44.9017 0.0000 172.8322 40 D 4.7029 7.5777 118.6059 51.0982 43.0213 176.2900 41 G 3.7648 8.5261 107.5134 48.0990 0.0000 175.7887 42 E 3.9294 8.2176 120.1050 59.3913 29.6224 178.9427 43 E 4.0826 8.7514 119.3708 58.9964 29.5967 178.9196 44 G 3.7037 8.1656 105.9154 47.8388 0.0000 175.0016 45 E 3.9310 8.6687 122.7380 58.8449 29.6546 178.7658 46 R 3.8698 8.3183 118.8997 59.6736 30.1614 178.4852 47 L 3.9339 8.6075 118.9040 57.5007 41.4729 179.4289 48 F 3.9433 8.4345 121.1159 61.2012 39.1840 177.6002 49 G 3.7019 8.1960 104.1651 47.6409 0.0000 175.3717 50 L 3.9940 7.6062 120.5708 56.8400 41.7668 178.0394 51 H 4.3352 7.5018 111.8043 53.7720 31.0284 173.5141 52 A 2.7833 7.6366 123.9577 51.9815 16.2604 175.1436 53 P 4.4488 0.0000 0.0000 62.5912 32.7901 176.9392 54 D 4.5555 8.5699 119.2575 56.3112 42.2272 176.4770 55 V 4.9381 8.3905 117.6002 60.9780 35.2975 174.7012 56 I 5.0463 8.6689 126.2526 59.6924 40.9596 174.2373 57 I 4.8643 8.9205 128.6671 59.9440 39.0866 174.7068 58 T 5.1699 8.8771 121.7772 60.2047 71.1768 172.7088 59 D 4.6574 8.9159 126.9776 54.2495 42.6098 176.0347 60 I 4.1186 8.5953 122.6214 63.3354 38.1109 175.8802 61 R 4.3174 7.4860 121.0668 55.3651 31.0341 174.5843 *63 P 4.1286 0.0000 0.0000 63.0843 32.6024 176.1852 64 K 4.1712 9.0756 122.3554 56.9315 30.6052 176.3578 65 L 4.3761 7.2442 118.4381 53.5852 44.6732 175.2042 66 G 4.0822 8.9926 115.6545 45.0650 0.0000 174.6900 67 G 4.2659 9.0700 108.6997 48.1453 0.0000 175.5580 68 L 4.1216 8.0665 120.2488 57.6467 41.9821 180.1322 69 E 4.1770 7.6335 116.4966 56.7457 28.7851 178.8803 *71 L 4.1576 8.0255 121.2618 54.9330 43.9272 178.9419 72 D 4.3161 8.4460 118.8281 57.5483 40.7873 179.2368 73 R 3.8701 7.7544 117.9169 59.3144 29.5422 179.2285 74 I 3.5286 7.4593 119.1256 64.1316 36.9647 178.5068 75 K 4.2196 8.6241 120.9631 58.5118 31.6814 179.1546 76 A 4.0677 7.9718 120.6318 55.0576 18.3784 179.2926 77 G 3.7502 7.6442 100.4017 45.3788 0.0000 174.7011 78 G 3.8999 8.2432 109.5162 44.9733 0.0000 174.1132 79 A 4.3103 7.4095 122.3218 52.0063 19.4193 177.2184 80 K 4.7742 8.0255 119.0410 54.0554 32.6550 174.2530 81 P 4.4035 0.0000 0.0000 61.9675 33.5017 176.8065 82 Y 3.7601 8.0388 119.0580 57.8186 38.9441 175.0972 83 V 4.8902 8.4488 123.0592 61.0738 35.1434 173.8932 84 I 4.9970 8.8748 128.1512 59.5581 40.3951 174.4166 85 V 4.5545 8.8644 127.9363 61.3288 33.1672 174.9918 86 I 4.5240 8.8278 130.2005 61.1663 36.7578 175.2823 87 S 4.5601 9.3973 123.6458 57.8672 62.8683 173.8234 88 A 4.3987 8.4608 126.6797 52.7687 25.2450 176.2674 89 F 3.9818 7.8757 112.2265 57.8741 38.1988 176.1958 90 S 4.6830 8.7416 118.9975 58.7009 64.7134 175.9899 91 E 4.8206 8.1174 119.4903 56.6853 30.8806 183.1511 *93 K 4.3460 8.6042 114.1047 56.7675 34.1603 174.6465 94 Y 3.9586 8.0181 117.4531 60.3925 37.4941 178.4239 95 F 4.0594 8.0045 121.2698 61.2473 39.6732 176.9700 96 I 3.4309 7.7791 118.8588 64.4260 36.7572 178.4196 97 K 3.8879 7.6394 117.3997 59.1687 32.2071 178.9500 98 A 4.1421 8.1692 121.6001 55.2871 18.3528 179.8438 99 I 3.7413 7.6898 111.4372 63.9768 37.3984 178.2219 100 E 3.9240 7.9586 119.6689 58.7628 29.3282 178.2704 101 L 4.2813 7.4880 116.3888 54.3030 42.0058 176.8782 102 G 3.7371 8.0178 107.1849 46.0312 0.0000 174.4134 103 V 3.5613 7.7929 118.1741 63.5247 31.8490 175.3195 104 H 4.6923 8.5660 122.5712 57.1593 29.5764 175.1843 105 L 4.4674 7.2108 117.0663 54.2837 45.3074 172.7540 106 F 5.2193 9.2094 123.5900 55.8548 41.3331 174.6444 107 L 4.8498 9.2637 125.2068 52.2444 43.3485 174.6391 108 P 4.8403 0.0000 0.0000 63.3488 32.3295 176.4539 109 K 4.8228 8.0030 125.3603 52.9951 33.3427 175.1545 110 P 4.3504 0.0000 0.0000 61.7389 32.0410 176.4319 111 I 3.8335 8.3655 122.5035 61.9202 37.6418 176.0042 112 E 4.4736 8.8403 125.6322 54.5387 29.9146 175.0842 113 P 4.3420 0.0000 0.0000 66.2024 31.1933 178.1493 114 G 3.7487 8.0713 103.7810 47.5261 0.0000 175.1912 115 R 4.1178 7.9525 120.4952 58.5816 30.2157 177.7731 116 L 4.1196 7.6017 118.1276 55.7908 41.9059 178.0855 *118 E 4.2502 8.1261 118.8710 56.2947 31.7631 178.3988 119 T 3.4714 7.5526 115.3748 66.5165 68.3701 176.7799 120 L 3.8830 7.5596 120.5430 57.6988 41.5631 179.4804 121 E 4.0012 8.0217 118.1168 59.4258 29.4497 178.8522 122 D 4.3837 7.8137 118.8970 57.4973 40.7897 178.9131 123 F 4.0554 7.6331 118.1572 60.2866 38.7401 177.7692 124 R 3.9430 8.1283 118.4438 59.9492 29.7786 178.3083 125 H 4.2411 8.3971 114.7737 58.7423 28.6515 177.6330 126 I 4.0203 7.4890 120.9560 64.1261 37.3025 177.6695 127 K 4.1502 8.2455 119.4310 59.2382 32.8309 177.6942 128 L 4.3839 8.0233 119.3097 54.2537 40.6917 177.5990 129 A 4.1855 8.0819 124.0693 55.0964 19.1119 179.4085 130 K 4.2514 8.0305 112.7811 59.1799 33.6695 176.4473 131 E 4.1452 8.0920 122.5805 55.9840 29.3432 176.7377 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 8 A 8.26 4.35 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 9 L 8.55 4.58 0.00 1.82 1.67 1.05 0.30 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 10 K 10.66 4.69 0.00 2.00 2.02 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.65 1.63 7.81 11 I 9.01 5.05 1.84 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.78 0.89 0.00 0.00 12 L 9.06 5.34 0.00 1.87 1.62 1.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 I 9.35 4.90 1.93 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 1.14 0.69 0.96 0.00 0.00 14 V 9.05 4.82 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 0.98 0.00 0.00 0.99 0.00 0.00 15 E 9.16 5.12 0.00 2.16 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 2.29 2.56 0.00 16 D 8.66 4.66 0.00 2.96 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 17 D 8.53 4.60 0.00 2.91 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 18 T 8.65 4.00 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 19 D 8.17 4.39 0.00 2.87 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 20 A 8.24 4.17 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 21 R 8.57 3.91 0.00 2.11 2.01 0.00 3.24 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 22 E 8.23 4.07 0.00 2.18 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 2.37 2.57 0.00 23 W 8.45 4.21 0.00 3.48 3.53 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 0.00 0.00 0.00 24 L 8.35 3.51 0.00 1.94 1.65 1.03 0.83 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 25 S 8.18 4.07 0.00 3.99 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 26 T 8.00 3.81 4.32 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 0.00 1.19 0.00 0.00 27 I 7.19 3.60 1.64 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.19 0.51 0.00 0.00 28 I 7.68 3.96 1.94 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 1.47 0.62 0.93 0.00 0.00 29 S 8.21 4.91 0.00 3.97 3.85 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 30 N 7.85 4.45 0.00 2.72 2.69 0.00 0.00 6.87 9.28 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 31 H 7.47 4.50 0.00 2.84 2.72 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.33 4.73 0.00 3.08 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 33 P 0.00 4.17 0.00 1.99 2.04 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 34 E 7.84 3.89 0.00 1.93 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 0.00 2.39 2.33 0.00 35 V 6.97 4.77 1.89 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 0.76 0.00 0.00 0.96 0.00 0.00 36 W 9.26 5.33 0.00 3.36 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 37 S 8.84 5.49 0.00 3.87 3.83 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 0.00 0.00 0.00 38 A 9.30 4.74 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 39 G 8.63 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 0.00 0.00 0.00 0.00 40 D 7.58 4.70 0.00 3.19 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 41 G 8.53 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 42 E 8.22 3.93 0.00 2.26 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 2.40 2.38 0.00 43 E 8.75 4.08 0.00 2.11 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 2.35 2.42 0.00 44 G 8.17 3.70 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 0.00 0.00 0.00 45 E 8.67 3.93 0.00 2.05 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 0.00 2.32 2.31 0.00 46 R 8.32 3.87 0.00 1.94 2.08 0.00 3.43 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 47 L 8.61 3.93 0.00 1.94 1.65 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.43 3.94 0.00 3.23 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 49 G 8.20 3.70 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 0.00 0.00 0.00 50 L 7.61 3.99 0.00 1.48 1.17 0.81 0.96 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 51 H 7.50 4.34 0.00 2.10 2.14 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.64 2.78 0.98 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 0.00 0.00 53 P 0.00 4.45 0.00 2.44 2.11 0.00 2.60 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 54 D 8.57 4.56 0.00 2.80 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 55 V 8.39 4.94 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 1.14 0.00 0.00 0.98 0.00 0.00 56 I 8.67 5.05 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.94 0.00 0.00 57 I 8.92 4.86 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 1.17 0.81 0.96 0.00 0.00 58 T 8.88 5.17 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 1.23 0.00 0.00 59 D 8.92 4.66 0.00 3.06 2.56 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 0.00 60 I 8.60 4.12 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.28 0.93 0.00 0.00 61 R 7.49 4.32 0.00 1.81 1.88 0.00 3.52 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 *63 P 0.00 4.13 0.00 2.08 2.05 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 64 K 9.08 4.17 0.00 1.93 2.12 0.00 2.07 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 65 L 7.24 4.38 0.00 1.68 1.47 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.99 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 67 G 9.07 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 0.00 0.00 0.00 68 L 8.07 4.12 0.00 1.74 1.71 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.63 4.18 0.00 2.30 1.95 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 2.31 2.27 0.00 *71 L 8.03 4.16 0.00 1.82 1.66 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.45 4.32 0.00 2.86 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 73 R 7.75 3.87 0.00 1.78 2.00 0.00 3.10 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 74 I 7.46 3.53 1.64 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.81 0.04 0.00 0.00 75 K 8.62 4.22 0.00 1.66 1.77 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.37 7.81 76 A 7.97 4.07 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 77 G 7.64 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 0.00 0.00 0.00 78 G 8.24 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 79 A 7.41 4.31 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 80 K 8.03 4.77 0.00 1.59 1.62 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.51 7.81 81 P 0.00 4.40 0.00 2.09 2.22 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 82 Y 8.04 3.76 0.00 2.15 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 0.00 0.00 0.00 0.00 83 V 8.45 4.89 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 0.98 0.00 0.00 0.91 0.00 0.00 84 I 8.87 5.00 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 0.97 0.00 0.00 85 V 8.86 4.55 1.84 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 1.29 0.00 0.00 0.79 0.00 0.00 86 I 8.83 4.52 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.99 0.00 0.00 87 S 9.40 4.56 0.00 4.17 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 88 A 8.46 4.40 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 89 F 7.88 3.98 0.00 2.77 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 90 S 8.74 4.68 0.00 3.63 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 91 E 8.12 4.82 0.00 1.87 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 2.23 1.85 0.00 *93 K 8.60 4.35 0.00 1.70 1.88 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 94 Y 8.02 3.96 0.00 2.28 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 0.00 0.00 0.00 95 F 8.00 4.06 0.00 3.26 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 96 I 7.78 3.43 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.88 0.86 0.00 0.00 97 K 7.64 3.89 0.00 1.76 1.78 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.50 7.81 98 A 8.17 4.14 1.60 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 0.00 0.00 99 I 7.69 3.74 1.76 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 1.23 0.40 0.46 0.00 0.00 100 E 7.96 3.92 0.00 2.06 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 2.28 2.57 0.00 101 L 7.49 4.28 0.00 1.80 1.64 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.02 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 0.00 103 V 7.79 3.56 1.84 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 0.19 0.00 0.00 0.82 0.00 0.00 104 H 8.57 4.69 0.00 3.43 3.63 0.00 5.94 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.21 4.47 0.00 1.80 1.53 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 106 F 9.21 5.22 0.00 3.09 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 0.00 107 L 9.26 4.85 0.00 1.62 1.66 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.84 0.00 2.06 2.03 0.00 3.81 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 2.01 1.98 0.00 109 K 8.00 4.82 0.00 1.54 1.62 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.24 7.81 110 P 0.00 4.35 0.00 2.08 2.00 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 111 I 8.37 3.83 2.30 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 1.13 0.00 0.00 112 E 8.84 4.47 0.00 2.06 1.96 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 2.40 2.40 0.00 113 P 0.00 4.34 0.00 2.26 2.26 0.00 3.96 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 114 G 8.07 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 0.00 0.00 0.00 115 R 7.95 4.12 0.00 1.91 2.07 0.00 3.20 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 116 L 7.60 4.12 0.00 1.84 1.78 0.90 0.85 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 *118 E 8.13 4.25 0.00 2.18 1.96 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 2.27 2.65 0.00 119 T 7.55 3.47 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 0.62 0.00 0.00 120 L 7.56 3.88 0.00 1.68 1.31 0.70 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.02 4.00 0.00 2.11 1.96 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 2.42 2.33 0.00 122 D 7.81 4.38 0.00 2.50 2.54 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 0.00 0.00 0.00 0.00 123 F 7.63 4.06 0.00 3.02 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 0.00 124 R 8.13 3.94 0.00 2.05 2.14 0.00 3.13 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 125 H 8.40 4.24 0.00 3.28 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.49 4.02 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.73 1.08 0.00 0.00 127 K 8.25 4.15 0.00 1.99 2.10 0.00 2.00 0.00 0.00 1.88 0.00 0.00 3.23 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.60 7.81 128 L 8.02 4.38 0.00 1.89 1.70 0.96 0.70 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 0.00 129 A 8.08 4.19 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 0.00 130 K 8.03 4.25 0.00 1.89 1.96 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 131 E 8.09 4.15 0.00 2.01 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 2.33 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.