NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.2945 8.3344 115.2811 57.8833 64.5044 173.3840 4 I 3.4079 7.5487 119.6881 59.5837 38.1401 174.4603 5 S 4.4631 9.1936 123.7015 57.6329 65.0689 173.8659 6 E 4.0365 8.5990 120.8971 59.1889 29.7014 178.1532 7 K 4.0350 7.6045 118.4682 56.9480 32.3411 178.7108 *9 V 3.9824 7.8796 117.2822 62.2952 33.3232 176.8021 10 E 4.0014 8.2503 118.0314 59.8456 28.9633 179.2726 11 A 3.9734 7.9122 120.9471 54.8282 18.4960 179.5509 12 L 3.9778 8.0100 116.9799 58.0937 41.2141 179.4948 13 N 4.4396 8.7456 116.9357 56.0846 38.4163 177.3114 14 R 3.9515 8.5060 120.1398 59.7783 30.2188 178.8911 15 Q 4.0230 8.3170 118.7285 58.7797 29.0029 178.1201 16 I 3.7782 8.0941 121.5040 64.4321 37.1084 177.7850 17 N 4.4401 8.4301 117.6807 56.7225 38.7942 176.7773 18 A 4.1093 8.4571 122.6063 55.1589 18.4296 179.5142 19 E 4.1022 8.5264 117.5053 59.6010 29.4804 179.5939 20 I 3.8257 8.0500 120.0501 64.4761 37.1835 177.8558 21 Y 4.1142 8.5094 120.7264 60.6328 38.5193 178.1278 22 S 3.7080 8.3299 116.0865 61.2596 62.9347 176.2979 23 A 4.2149 8.0407 123.4351 55.7387 18.1949 179.1794 24 Y 4.3666 8.3023 117.8179 60.3938 38.5608 177.7231 25 L 3.6328 7.5907 121.3958 58.2197 42.2271 178.2733 26 Y 4.5567 7.5233 115.6706 60.8746 38.0519 177.8112 27 L 4.0003 8.0810 121.6698 57.6573 41.8863 179.2714 28 S 3.9095 7.6467 111.2388 58.4910 62.1697 175.6131 *30 A 4.4528 7.9679 124.2781 51.8461 20.5313 179.7860 31 S 4.0950 8.0666 109.8938 61.7156 62.1927 175.7302 32 Y 4.1665 8.3018 122.2361 60.8280 38.4624 178.1582 33 F 3.9764 8.0835 118.2169 60.1417 39.0389 176.7188 34 D 4.4460 8.4031 118.3513 57.8162 40.7437 179.1511 35 S 4.2629 7.9275 112.7317 60.1769 62.9576 175.2832 36 I 4.3473 7.0885 115.4467 60.3880 38.0168 176.4514 37 G 3.9346 8.0142 107.6763 46.2722 0.0000 175.5912 38 L 4.6546 7.9747 121.8137 53.2982 40.4674 176.8219 39 K 4.1960 8.2602 123.3864 58.8002 32.4615 178.8438 40 G 4.1022 8.4192 107.6790 47.3120 0.0000 175.7990 41 F 3.6878 8.3316 118.7788 60.0047 38.9387 176.9090 42 S 4.4293 8.0703 111.6564 61.6505 62.3721 175.3929 43 N 4.5048 8.6330 119.7256 56.5873 38.5705 176.5830 44 W 4.2094 7.9397 128.2482 58.8347 31.6773 177.3405 *46 R 4.4387 7.9720 118.1592 55.9005 31.7815 178.1176 47 V 3.5857 7.9358 117.2852 65.8853 31.4311 177.9301 48 Q 3.6620 8.1572 119.8071 58.5689 28.8016 177.8841 49 W 4.4109 8.3088 129.0467 60.8805 30.5954 177.8984 50 Q 3.5422 7.8340 116.2329 58.5100 28.1352 177.9691 51 E 3.9751 8.0263 120.0090 59.3419 29.9285 178.4767 52 E 4.1136 8.6943 119.0081 59.0210 29.2223 179.8292 53 L 4.1107 7.3643 116.2965 55.4591 41.7278 177.9662 *55 H 4.9325 8.1532 117.3548 56.1904 30.4766 175.6394 56 A 4.2241 8.0429 117.9692 52.9443 17.6002 177.5690 *58 K 4.1076 8.0065 118.2610 57.7948 33.6545 177.2089 *60 F 4.6835 8.0407 120.7183 57.9131 41.0287 176.7749 61 D 4.4983 8.2663 119.8510 57.1900 40.6593 178.3983 62 F 3.9615 8.1865 120.9233 60.9567 39.4114 177.3714 63 V 3.2622 7.6604 117.4269 65.9184 31.3822 177.6532 64 S 4.1249 7.3345 114.1641 60.8533 61.9672 175.8457 65 E 3.8802 7.9935 120.1677 59.4860 29.3235 179.0248 66 R 3.9572 7.2336 114.4127 56.4142 30.1339 177.6669 67 G 3.7904 7.8771 107.9588 45.0123 0.0000 174.1048 68 G 3.6602 7.5260 108.8667 45.0925 0.0000 172.5395 69 R 4.2001 7.9696 119.1117 53.8313 31.7182 175.3030 70 V 3.8030 8.0024 125.1447 61.7990 32.0039 174.6444 71 K 4.3485 8.3663 128.1635 54.3910 33.7992 174.9528 72 L 4.3808 8.1260 126.0040 53.7028 42.9941 175.4062 73 Y 4.7188 8.0235 119.1367 55.5699 40.9044 175.1159 74 A 4.1216 8.5528 123.3002 52.4513 18.9285 177.2047 75 V 4.2651 8.1179 121.4716 60.9759 32.2219 175.8194 76 E 4.1283 8.8691 127.1680 56.1551 29.9302 176.5316 77 E 4.1272 8.3694 123.5298 55.8256 29.7150 175.2613 78 P 4.8197 0.0000 0.0000 61.2755 32.4201 174.0091 79 P 4.4133 0.0000 0.0000 62.8193 31.7285 176.1701 80 S 4.7168 7.7259 109.6069 56.0268 64.4210 173.7736 81 E 4.5086 7.1674 119.4051 54.0810 32.4092 174.8428 82 W 4.6610 7.3585 120.3289 54.5111 32.9392 175.5076 83 D 4.5314 8.8359 120.0466 57.3013 40.7407 177.4191 84 S 4.8050 7.6315 112.2917 56.5546 66.2856 174.8972 85 P 4.5536 0.0000 0.0000 65.9177 30.9116 178.5323 86 L 4.0164 8.0529 118.1956 58.3928 42.1064 178.8061 87 A 4.0555 8.1911 120.3359 54.9291 18.2763 179.2786 88 A 3.0682 8.3873 119.7562 55.4519 18.3821 180.0340 89 F 3.6880 8.4444 115.9615 60.3898 38.9245 177.7723 90 E 4.1378 8.6876 118.7690 59.8513 29.1564 178.9325 91 H 4.3663 8.4318 118.2948 58.9487 29.8492 177.3191 92 V 3.7558 7.7905 120.2654 66.3013 31.2550 177.0528 93 Y 4.1390 8.4991 119.3478 61.1000 38.6491 178.1351 94 E 3.9487 8.6193 119.2140 59.6907 29.5943 178.9047 95 H 4.2239 8.7861 118.5962 59.4526 29.8875 177.2438 96 E 4.1773 8.7386 120.8137 59.2614 29.1676 179.4561 97 V 3.4780 7.8373 118.6581 65.8686 31.5430 177.8392 98 N 4.2803 8.2392 116.2611 56.4253 38.3910 177.4604 99 V 3.6297 8.1832 119.9304 66.3902 31.5192 178.2585 100 T 3.8522 8.2235 115.9471 66.1251 68.1402 176.3645 101 K 3.8505 8.2632 121.9579 59.9347 32.0892 178.7968 102 R 3.9162 8.0787 118.5362 59.3198 29.9576 178.5538 103 I 3.6865 7.9825 119.9604 64.6562 36.9942 178.0968 104 H 4.3150 8.2169 116.7405 58.4807 28.1962 177.4855 105 E 4.1431 7.7674 119.9963 58.8065 29.5565 178.5625 106 L 4.1689 7.5135 118.3910 57.4872 41.7336 179.0269 107 V 3.9101 7.6433 117.5110 66.1909 31.4462 178.5079 108 E 4.2920 7.5376 114.3521 56.7966 29.3715 177.2820 *110 A 4.2216 7.7793 120.0560 52.3201 20.1950 179.2454 *112 Q 4.2487 8.0961 119.0725 57.1915 30.4862 176.2051 113 E 4.2499 8.0947 113.6585 55.4998 30.0617 175.8384 114 K 3.3912 7.6322 117.0246 57.4796 29.7727 176.1382 115 D 4.5296 7.7807 119.2389 52.6284 40.2525 176.1817 116 F 4.7388 7.8043 123.0413 59.7466 39.2145 176.6836 117 A 4.2300 8.2269 120.4099 55.6891 18.3411 179.6891 118 T 4.2765 8.7508 114.2364 66.6350 68.2710 176.5803 119 Y 4.0977 8.0988 121.2543 60.7472 39.2707 177.5221 120 N 4.5446 8.6757 117.4796 56.1461 38.7114 176.9627 121 F 4.0931 8.2265 122.1106 61.5747 39.4170 177.2753 122 L 3.9691 8.1186 117.7566 57.2883 41.3500 179.3776 123 Q 3.8779 7.6502 117.8203 58.0714 28.4356 178.4634 124 W 3.7365 8.1267 129.8866 60.7179 30.7900 177.6969 125 Y 3.8943 7.9720 115.8853 60.4813 37.0460 178.3452 126 V 3.4619 7.8123 119.5161 65.8619 31.3630 177.9717 127 A 3.8376 7.6445 120.4733 55.0202 18.0877 179.2164 128 E 3.4308 7.6649 117.8583 59.3129 29.4615 179.1295 129 Q 3.9464 8.0137 118.1772 58.5517 28.7136 178.5729 130 V 3.5543 7.3860 119.3346 66.1011 31.4465 177.7907 131 E 3.9356 7.8036 118.6021 59.1231 29.4750 178.3688 132 E 4.0438 8.3911 118.9452 59.6885 29.6162 179.3149 133 E 3.9999 8.4434 118.2388 59.4885 29.5610 179.3914 134 A 4.2401 8.0190 120.3651 55.1072 18.2941 179.9112 135 S 4.1552 8.6683 114.0524 61.7310 62.9730 176.8219 136 A 4.2214 8.2563 123.5281 55.1585 18.1320 179.4188 137 L 3.7796 8.7283 119.3764 58.3112 42.1912 178.7359 138 D 4.2565 8.2093 118.0389 57.3640 41.1721 178.3074 139 I 3.5203 7.4555 120.4663 63.8289 36.9438 178.3833 140 V 3.5673 7.7045 119.2322 66.1655 31.1844 178.0094 141 E 3.9438 8.3565 118.4207 59.3685 29.2380 179.5364 142 K 3.9776 7.9485 118.3777 59.1933 31.9261 179.1107 143 L 4.2112 7.8946 118.7345 56.7881 41.4033 179.5888 144 R 3.9331 7.5476 117.5659 59.2067 30.1426 178.5275 145 L 4.1277 7.4498 117.6441 57.8169 41.8930 179.2514 146 I 3.8196 7.8727 119.6264 61.8977 37.1615 178.9312 147 G 3.8217 8.0542 106.2313 46.8617 0.0000 174.8271 148 E 4.1620 8.8327 124.0969 56.4567 29.8505 176.0596 149 D 4.4250 8.0510 119.3391 54.0914 41.3692 176.3592 150 K 4.0421 8.5416 128.1704 59.2983 32.1092 179.2461 151 R 3.9104 8.0764 118.4936 59.3340 30.0507 178.2641 152 A 3.9940 8.5584 120.8003 54.8884 18.3088 179.3153 153 L 3.9817 8.0180 118.8899 58.5497 42.2404 179.3945 154 L 4.1048 8.2196 118.7459 57.4182 41.4616 179.4122 155 F 4.0488 8.4622 121.2182 61.1501 39.3140 176.9454 156 L 3.8872 8.3636 120.2307 58.0904 41.8878 178.3625 157 D 3.9773 8.3601 118.0548 57.0384 41.0670 177.9431 158 K 3.7291 7.8533 120.1022 59.5898 32.0091 178.0582 159 E 3.7194 7.7372 119.2494 59.4552 29.5807 178.9212 160 L 4.0102 7.9154 119.1648 57.4498 41.3621 179.4124 161 S 4.2283 7.4244 113.4036 60.7439 62.8990 175.8799 162 L 4.1427 7.4139 121.4931 55.4867 41.9141 177.2742 163 R 4.0214 7.0914 118.5259 56.5080 30.6781 176.2417 164 Q 4.1452 8.2831 120.8299 56.1551 29.5824 175.3593 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 3 S 8.33 4.29 0.00 3.81 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 4 I 7.55 3.41 1.75 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 1.42 1.17 0.85 0.00 0.00 5 S 9.19 4.46 0.00 4.00 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 6 E 8.60 4.04 0.00 2.00 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 2.37 2.22 0.00 7 K 7.60 4.04 0.00 1.84 1.75 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *9 V 7.88 3.98 2.22 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 0.84 0.00 0.00 0.93 0.00 0.00 10 E 8.25 4.00 0.00 2.35 2.42 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 2.32 2.61 0.00 11 A 7.91 3.97 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 12 L 8.01 3.98 0.00 1.89 1.83 1.12 0.82 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 13 N 8.75 4.44 0.00 3.08 3.05 0.00 0.00 6.90 7.70 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 14 R 8.51 3.95 0.00 2.03 1.99 0.00 2.77 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 15 Q 8.32 4.02 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 16 I 8.09 3.78 2.20 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.03 1.07 0.00 0.00 17 N 8.43 4.44 0.00 3.11 3.13 0.00 0.00 7.16 7.98 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 18 A 8.46 4.11 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 19 E 8.53 4.10 0.00 2.24 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 0.00 2.65 2.62 0.00 20 I 8.05 3.83 2.07 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 1.41 0.79 0.93 0.00 0.00 21 Y 8.51 4.11 0.00 3.11 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 S 8.33 3.71 0.00 4.12 3.72 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 23 A 8.04 4.21 1.56 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 0.00 0.00 24 Y 8.30 4.37 0.00 3.16 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 25 L 7.59 3.63 0.00 0.92 1.24 1.03 0.71 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 26 Y 7.52 4.56 0.00 3.24 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 27 L 8.08 4.00 0.00 1.24 1.43 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.65 3.91 0.00 3.76 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 *30 A 7.97 4.45 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 0.00 0.00 31 S 8.07 4.10 0.00 3.90 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 32 Y 8.30 4.17 0.00 3.45 2.91 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 0.00 0.00 0.00 33 F 8.08 3.98 0.00 3.17 3.21 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 34 D 8.40 4.45 0.00 3.03 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 35 S 7.93 4.26 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 36 I 7.09 4.35 1.73 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.53 0.63 0.00 0.00 37 G 8.01 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 38 L 7.97 4.65 0.00 1.79 1.92 0.57 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.26 4.20 0.00 1.79 1.88 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 G 8.42 4.10 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 0.00 41 F 8.33 3.69 0.00 2.56 1.55 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 42 S 8.07 4.43 0.00 4.17 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 0.00 43 N 8.63 4.50 0.00 2.87 3.04 0.00 0.00 6.89 7.91 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 44 W 7.94 4.21 0.00 3.45 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 *46 R 7.97 4.44 0.00 2.15 2.14 0.00 3.32 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.63 0.00 47 V 7.94 3.59 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 0.83 0.00 0.00 0.91 0.00 0.00 48 Q 8.16 3.66 0.00 1.55 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 1.73 2.28 0.00 49 W 8.31 4.41 0.00 3.70 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 50 Q 7.83 3.54 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 51 E 8.03 3.98 0.00 1.90 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 2.09 2.31 0.00 52 E 8.69 4.11 0.00 2.06 2.25 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 2.73 2.82 0.00 53 L 7.36 4.11 0.00 1.47 1.41 0.63 -0.61 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 *55 H 8.15 4.93 0.00 3.56 3.78 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.04 4.22 1.38 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 0.00 0.00 *58 K 8.01 4.11 0.00 1.68 1.91 0.00 0.79 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.35 7.81 *60 F 8.04 4.68 0.00 3.19 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 61 D 8.27 4.50 0.00 2.98 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 62 F 8.19 3.96 0.00 2.66 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 63 V 7.66 3.26 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 0.83 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.06 0.00 0.00 141 E 8.36 3.94 0.00 2.06 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 2.45 2.42 0.00 142 K 7.95 3.98 0.00 1.88 1.80 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.54 7.81 143 L 7.89 4.21 0.00 1.82 1.73 0.96 0.75 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 0.00 144 R 7.55 3.93 0.00 1.94 1.97 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 145 L 7.45 4.13 0.00 1.54 1.71 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.87 3.82 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.97 0.00 0.00 147 G 8.05 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 0.00 148 E 8.83 4.16 0.00 1.97 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 2.29 2.24 0.00 149 D 8.05 4.43 0.00 2.72 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 0.00 150 K 8.54 4.04 0.00 1.85 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.64 7.81 151 R 8.08 3.91 0.00 1.89 2.04 0.00 3.17 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 152 A 8.56 3.99 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 0.00 153 L 8.02 3.98 0.00 1.83 1.90 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.22 4.10 0.00 1.95 1.76 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.46 4.05 0.00 3.25 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 0.00 156 L 8.36 3.89 0.00 1.86 1.91 0.69 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.36 3.98 0.00 3.20 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 0.00 158 K 7.85 3.73 0.00 1.88 1.61 0.00 1.45 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.37 7.81 159 E 7.74 3.72 0.00 1.82 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 2.19 2.23 0.00 160 L 7.92 4.01 0.00 1.57 1.54 0.61 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.42 4.23 0.00 3.95 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 0.00 162 L 7.41 4.14 0.00 1.79 1.71 0.86 1.16 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 0.00 163 R 7.09 4.02 0.00 1.80 1.80 0.00 2.93 0.00 0.00 2.63 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 164 Q 8.28 4.15 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.