NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4972 8.3349 115.4114 58.5320 64.9721 172.7148 3 N 4.9519 7.9638 120.5023 53.2363 41.1166 172.1190 4 T 4.8305 9.1604 117.6727 63.0838 73.4582 173.1173 5 L 4.8559 8.0950 118.9598 53.7816 44.1179 176.5066 6 F 4.6780 7.6229 118.1198 57.7220 42.3907 171.8276 7 D 5.2938 7.5102 123.4552 51.6634 44.6870 173.5539 8 D 4.4160 7.8201 123.1928 54.6128 44.7410 174.5715 9 I 5.4515 7.3221 119.4170 59.6234 41.3299 174.9052 10 F 5.3872 9.5378 123.4940 55.8507 43.8204 173.5870 11 Q 5.5556 9.4149 121.0923 52.9979 32.1083 174.6264 12 V 4.2491 8.6297 126.9028 63.7803 31.9029 176.4504 13 S 4.4444 8.9864 123.1839 59.7922 64.0094 173.7389 14 E 4.9334 7.2499 120.3481 55.8560 32.7491 175.0305 15 V 4.5577 8.4722 122.8544 60.9969 34.1442 174.0302 16 D 4.7869 8.8698 127.8469 51.7858 43.0649 173.6574 17 P 4.7981 0.0000 0.0000 61.2038 29.1257 177.6052 18 G 3.6503 7.6909 114.8593 47.1615 0.0000 171.6116 19 R 4.1493 8.0467 117.8606 57.3696 28.1911 176.4117 20 Y 4.9222 7.1507 117.4135 56.1862 37.5439 176.2405 21 N 4.4759 8.8183 122.9854 55.1660 38.9819 176.3217 22 K 4.5452 8.0499 115.2743 55.9049 34.2492 175.4688 23 V 4.8117 7.4310 117.0969 61.2934 34.8989 174.3487 24 C 5.1033 8.8970 123.2257 57.9013 32.4078 173.3368 25 R 4.2671 8.6055 124.5872 56.2656 30.8609 175.1013 26 I 4.8907 9.1264 126.5562 59.4965 40.9580 174.2042 27 E 5.1039 8.4501 124.1363 54.7962 32.8685 174.9098 28 A 5.0939 9.1003 124.2396 50.7833 23.2768 175.0034 29 A 4.9877 8.7567 121.8017 50.4582 21.7447 176.9684 30 S 4.1996 8.2524 114.5041 57.6249 63.7816 173.8800 31 T 4.6933 7.7825 117.2764 63.0695 69.5358 175.9258 32 T 4.5565 7.7997 115.0286 64.2011 72.1828 175.0302 33 Q 4.3399 8.6916 122.3101 55.7385 30.5128 176.6964 34 D 4.7786 8.7780 120.0714 55.2873 40.4204 176.6340 35 Q 4.4279 7.9682 120.5427 57.1754 31.0623 175.4399 36 C 5.1719 8.0498 119.4768 59.0865 32.1065 172.7558 37 K 5.0920 8.6093 125.4839 54.6172 35.5792 175.0503 38 L 4.9060 8.6654 122.6859 53.8931 45.5368 175.1527 39 T 4.9749 8.9411 121.8688 61.8083 72.3410 172.8504 40 L 4.7582 9.6404 128.8526 53.8545 45.9087 174.5504 41 D 4.9603 8.9733 126.7959 54.9718 41.9036 175.8562 42 I 4.4108 8.0681 120.1042 60.1419 42.4950 173.8389 43 N 4.6813 9.8759 125.8643 53.1448 39.1268 174.7407 44 V 4.2023 8.1435 126.5062 63.0743 31.4278 176.2463 45 E 4.5327 9.0978 120.9332 56.0443 31.3430 176.6781 46 L 4.4637 8.1162 116.1914 55.4262 42.6984 176.9650 47 F 5.0368 7.6294 120.0029 55.9528 40.3854 171.7022 48 P 4.3600 0.0000 0.0000 62.3069 32.1419 176.1728 49 V 4.1539 7.8321 118.4694 61.4227 34.4579 173.6979 50 A 4.7102 8.2038 128.9143 49.5735 21.3103 175.9419 51 A 3.8602 8.5449 123.0442 53.9380 18.7372 176.9967 52 Q 3.4735 8.3537 120.2002 56.5304 26.1898 172.7251 53 D 4.8906 7.8361 120.0831 52.7320 46.3596 174.4694 54 S 4.9601 8.7062 115.7269 57.2232 62.7903 173.0603 55 L 4.7959 8.6328 127.3377 54.3438 44.2299 175.3192 56 T 5.2287 8.1705 119.0432 61.9703 70.9892 173.4621 57 V 5.0246 8.8478 126.1370 60.8535 34.1689 174.5064 58 T 5.7788 8.1469 121.6525 63.4683 73.7251 174.5156 59 I 5.2359 8.6097 121.6242 60.1444 38.2254 177.6281 60 A 4.0393 9.5560 128.7699 52.8393 18.9727 179.0736 61 S 5.1159 7.8068 112.2512 56.0249 63.0610 172.7899 62 S 4.0160 7.3478 111.8331 61.5107 66.7680 178.1622 63 L 3.2460 7.3905 116.9247 57.2708 38.0676 176.5226 *76 T 4.1164 7.2959 110.2100 63.5497 70.1483 171.6914 77 R 3.9042 8.0276 126.8465 55.0197 30.8301 177.0664 78 S 4.2826 8.6975 116.2790 58.3153 63.3696 173.5802 79 W 4.6015 8.7185 131.2428 56.6210 31.3467 175.6816 80 R 4.1053 7.8931 124.8220 53.9570 31.4623 175.2370 81 P 3.9063 0.0000 0.0000 61.0389 31.8426 174.3038 82 P 4.6146 0.0000 0.0000 62.6419 30.0704 176.7576 83 Q 3.9009 9.4739 120.7252 56.7595 26.9467 175.8055 84 A 4.1548 7.7374 115.6637 52.9602 17.8724 179.1066 85 G 3.8277 8.7161 108.8326 48.9243 0.0000 174.4129 86 D 4.7774 7.7551 117.5592 53.9714 42.3979 174.4915 87 R 4.8848 8.2696 119.0410 53.5254 32.8684 175.7823 88 S 4.2847 8.4281 112.5489 60.1851 63.4992 174.4924 89 L 4.5014 7.6840 115.5946 54.8220 44.2389 175.8191 90 A 4.5041 7.9080 127.3285 52.4364 17.7437 177.7195 91 D 5.1724 7.6513 116.1906 53.4134 40.4257 177.9065 92 D 4.6972 8.6599 114.7635 56.4724 40.6160 176.1196 93 Y 4.8950 8.1175 119.3484 56.9004 39.9340 174.4331 94 D 4.9021 9.1665 117.7745 54.7013 43.9531 175.7115 95 Y 4.4629 7.6392 119.2758 55.6179 42.2479 174.3898 96 V 4.9241 8.4929 126.2032 62.3994 33.8764 173.1722 97 M 4.6907 8.0840 129.7556 54.9516 35.4356 173.9532 98 Y 5.2369 8.5457 117.7103 57.4140 41.2535 173.8861 99 G 3.4066 8.8666 117.7729 45.8536 0.0000 171.9659 100 T 5.0225 9.2831 120.3670 60.5979 73.5974 172.5286 101 A 4.9804 8.4159 123.9354 49.5661 20.5574 176.0443 102 Y 4.6448 8.9739 118.5280 57.1392 40.2560 175.5981 103 K 4.6981 7.3583 120.2007 55.2246 36.0519 174.7018 104 F 4.9290 9.0551 124.4582 55.7655 40.0766 174.3463 105 E 4.4986 9.1924 125.2450 55.1455 31.8534 174.8462 106 E 4.7754 8.6028 123.3190 54.1032 30.9499 177.2707 107 V 3.8010 8.4703 130.3963 62.4897 30.2527 175.3576 108 S 3.5236 8.4160 118.9451 58.5075 65.0509 175.8635 109 K 3.6233 8.0789 120.0151 57.9991 30.8909 176.6176 110 D 4.9761 8.7687 122.1564 54.0679 39.5190 175.7317 111 L 4.8838 8.1519 120.2276 54.3273 44.3620 176.3326 112 I 5.0348 8.1591 123.4986 59.3022 40.4277 174.7693 113 A 4.9663 8.8206 127.0609 48.9784 22.6127 175.1656 114 V 4.4024 7.9053 114.0775 59.6386 34.8388 174.4013 115 Y 4.9881 8.4309 121.5417 56.8443 40.3478 174.3796 116 Y 5.1123 9.4073 119.1476 56.7226 43.1116 174.3519 117 S 4.8340 9.2922 116.1003 57.2804 66.4737 172.9659 118 F 4.5392 10.0210 127.5280 55.4555 39.6686 175.5998 119 G 3.8943 8.7699 117.4068 46.1982 0.0000 170.5432 120 G 4.0456 7.3189 111.9097 45.8479 0.0000 174.3897 121 L 4.4396 8.3981 121.3976 54.0944 42.9476 176.8607 122 L 5.3996 10.5251 123.7955 53.7541 45.3392 174.9810 123 M 5.2362 9.1623 119.1089 54.5211 36.2854 173.2930 124 R 4.6941 10.1106 126.0585 54.3235 33.3446 173.6833 125 L 5.0811 8.0946 126.9883 53.2189 45.9002 174.5326 126 E 4.6952 8.5814 123.9253 52.8688 33.1755 174.0286 127 G 4.2375 7.7907 115.5347 45.7405 0.0000 173.8788 128 N 4.4736 8.1458 127.5157 53.4333 41.0152 173.6808 129 Y 4.7640 7.4812 114.5214 57.7425 38.5485 175.8308 130 R 4.8221 7.4234 118.9671 56.2183 30.9814 178.1331 131 N 4.3987 8.5836 117.7669 55.8691 38.6329 176.0512 132 L 4.6788 7.8519 113.8905 54.6301 42.9536 177.0368 133 N 4.6325 7.8615 116.2072 55.6061 39.2627 175.0276 134 N 4.5288 8.2096 115.5370 53.4038 39.0462 175.7055 135 L 4.5729 8.4985 123.3028 54.1915 43.2807 176.4902 136 K 4.6394 8.4774 115.5846 56.5286 32.4634 176.4030 137 Q 4.5559 7.7723 117.8611 54.0386 30.7255 175.4912 138 E 3.9848 8.7799 119.7112 59.6551 29.7546 176.3848 139 N 4.8240 8.1443 113.7873 53.1002 39.4538 174.0359 140 A 5.7264 8.8542 135.0000 52.7704 22.1801 174.7536 141 Y 4.9185 8.7588 120.6715 57.7862 40.0391 175.2138 142 L 5.0292 8.5577 125.2605 53.8968 44.5016 175.0388 143 L 5.1765 7.9472 121.0595 53.6295 46.6536 175.3364 144 I 5.5631 8.4982 119.3031 61.4229 41.7003 174.0059 145 R 5.0262 8.4034 120.9584 55.7767 33.2604 175.3386 146 R 4.3280 9.3845 119.5782 56.8998 30.5161 176.2197 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 2 S 8.33 4.50 0.00 3.99 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 3 N 7.96 4.95 0.00 2.78 2.74 0.00 0.00 6.94 6.65 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 4 T 9.16 4.83 4.28 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 1.27 0.00 0.00 5 L 8.09 4.86 0.00 1.79 1.76 1.03 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 6 F 7.62 4.68 0.00 3.15 2.87 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 7 D 7.51 5.29 0.00 2.59 2.30 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 8 D 7.82 4.42 0.00 2.58 2.59 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 9 I 7.32 5.45 1.86 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 1.40 1.32 1.07 0.00 0.00 10 F 9.54 5.39 0.00 2.95 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 11 Q 9.41 5.56 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 12 V 8.63 4.25 2.21 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 1.03 0.00 0.00 0.96 0.00 0.00 13 S 8.99 4.44 0.00 3.92 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 14 E 7.25 4.93 0.00 2.05 1.80 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 2.12 2.11 0.00 15 V 8.47 4.56 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 0.85 0.00 0.00 0.98 0.00 0.00 16 D 8.87 4.79 0.00 2.84 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.80 0.00 2.13 2.09 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 18 G 7.69 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 19 R 8.05 4.15 0.00 1.86 2.07 0.00 3.35 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 20 Y 7.15 4.92 0.00 2.89 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 21 N 8.82 4.48 0.00 2.74 2.91 0.00 0.00 6.99 7.61 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 22 K 8.05 4.55 0.00 1.74 1.78 0.00 1.58 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.36 7.81 23 V 7.43 4.81 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 0.88 0.00 0.00 0.93 0.00 0.00 24 C 8.90 5.10 0.00 2.92 2.78 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 25 R 8.61 4.27 0.00 2.02 1.82 0.00 3.05 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 26 I 9.13 4.89 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.84 0.90 0.00 0.00 27 E 8.45 5.10 0.00 2.01 1.81 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 2.21 2.22 0.00 28 A 9.10 5.09 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 29 A 8.76 4.99 1.29 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 0.00 0.00 0.00 30 S 8.25 4.20 0.00 3.33 3.73 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 31 T 7.78 4.69 4.17 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 1.18 0.00 0.00 32 T 7.80 4.56 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 1.14 0.00 0.00 33 Q 8.69 4.34 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.14 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 34 D 8.78 4.78 0.00 2.67 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 35 Q 7.97 4.43 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 36 C 8.05 5.17 0.00 3.10 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 37 K 8.61 5.09 0.00 1.73 1.69 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.58 7.81 38 L 8.67 4.91 0.00 1.61 1.59 0.70 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.94 4.97 4.21 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 1.23 0.00 0.00 40 L 9.64 4.76 0.00 1.44 1.32 0.97 0.80 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 41 D 8.97 4.96 0.00 2.72 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 42 I 8.07 4.41 1.89 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 0.64 0.31 1.21 0.00 0.00 43 N 9.88 4.68 0.00 2.86 2.82 0.00 0.00 6.77 7.33 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 44 V 8.14 4.20 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 0.77 0.00 0.00 1.06 0.00 0.00 45 E 9.10 4.53 0.00 1.88 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 2.20 2.23 0.00 46 L 8.12 4.46 0.00 1.48 1.58 0.79 0.69 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 47 F 7.63 5.04 0.00 2.70 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 48 P 0.00 4.36 0.00 1.96 1.91 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 49 V 7.83 4.15 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 0.71 0.00 0.00 0.66 0.00 0.00 50 A 8.20 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.54 3.86 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 52 Q 8.35 3.47 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 53 D 7.84 4.89 0.00 2.55 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 0.00 0.00 0.00 0.00 54 S 8.71 4.96 0.00 3.91 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 55 L 8.63 4.80 0.00 1.75 1.74 1.01 1.27 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 56 T 8.17 5.23 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 1.38 0.00 0.00 57 V 8.85 5.02 2.44 0.00 0.00 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 0.00 0.00 0.71 0.00 0.00 58 T 8.15 5.78 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 1.35 0.00 0.00 59 I 8.61 5.24 1.98 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 1.00 0.00 0.00 60 A 9.56 4.04 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 61 S 7.81 5.12 0.00 4.02 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 62 S 7.35 4.02 0.00 3.81 3.77 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 63 L 7.39 3.25 0.00 1.63 1.84 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.30 4.12 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 1.30 0.00 0.00 77 R 8.03 3.90 0.00 2.02 1.99 0.00 3.28 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 78 S 8.70 4.28 0.00 4.06 3.97 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 79 W 8.72 4.60 0.00 3.31 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 80 R 7.89 4.11 0.00 1.59 1.59 0.00 3.22 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 81 P 0.00 3.91 0.00 1.80 1.48 0.00 3.35 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 82 P 0.00 4.61 0.00 2.15 1.32 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 83 Q 9.47 3.90 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.16 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 84 A 7.74 4.15 1.27 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 85 G 8.72 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 0.00 0.00 0.00 86 D 7.76 4.78 0.00 2.57 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 87 R 8.27 4.88 0.00 1.88 1.84 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 88 S 8.43 4.28 0.00 3.97 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 89 L 7.68 4.50 0.00 1.63 1.92 0.94 0.83 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 90 A 7.91 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.65 5.17 0.00 2.88 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 92 D 8.66 4.70 0.00 2.54 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 93 Y 8.12 4.90 0.00 2.86 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 94 D 9.17 4.90 0.00 2.22 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 95 Y 7.64 4.46 0.00 2.05 2.24 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 96 V 8.49 4.92 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 1.09 0.00 0.00 0.94 0.00 0.00 97 M 8.08 4.69 0.00 1.76 1.15 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.78 0.00 98 Y 8.55 5.24 0.00 2.13 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 99 G 8.87 3.41 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 0.00 100 T 9.28 5.02 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 1.10 0.00 0.00 101 A 8.42 4.98 0.66 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 0.00 0.00 102 Y 8.97 4.64 0.00 3.05 2.87 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 0.00 103 K 7.36 4.70 0.00 1.67 1.49 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.50 7.81 104 F 9.06 4.93 0.00 2.83 3.02 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 0.00 105 E 9.19 4.50 0.00 2.23 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 2.32 2.34 0.00 106 E 8.60 4.78 0.00 1.88 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 0.00 2.23 2.30 0.00 107 V 8.47 3.80 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 0.78 0.00 0.00 0.95 0.00 0.00 108 S 8.42 3.52 0.00 4.16 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 0.00 109 K 8.08 3.62 0.00 1.90 1.06 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 D 8.77 4.98 0.00 2.75 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 0.00 111 L 8.15 4.88 0.00 2.00 1.58 0.96 0.67 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 0.00 112 I 8.16 5.03 1.86 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 1.19 1.30 0.95 0.00 0.00 113 A 8.82 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 4.40 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 -0.42 0.00 0.00 0.68 0.00 0.00 115 Y 8.43 4.99 0.00 2.16 2.27 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 0.00 116 Y 9.41 5.11 0.00 2.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.29 4.83 0.00 3.33 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 0.00 118 F 10.02 4.54 0.00 2.93 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 0.00 119 G 8.77 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 0.00 0.00 0.00 120 G 7.32 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 0.00 121 L 8.40 4.44 0.00 1.86 1.71 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 122 L 10.53 5.40 0.00 1.84 1.80 1.03 0.63 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 0.00 123 M 9.16 5.24 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 124 R 10.11 4.69 0.00 1.80 1.57 0.00 3.11 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 125 L 8.09 5.08 0.00 1.45 1.10 0.74 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.58 4.70 0.00 1.91 1.66 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 2.13 2.14 0.00 127 G 7.79 4.24 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 0.00 128 N 8.15 4.47 0.00 2.76 2.80 0.00 0.00 6.77 7.54 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 0.00 129 Y 7.48 4.76 0.00 3.11 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 0.00 130 R 7.42 4.82 0.00 1.94 2.11 0.00 2.98 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 131 N 8.58 4.40 0.00 2.77 2.95 0.00 0.00 6.98 7.85 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 0.00 132 L 7.85 4.68 0.00 1.66 1.72 0.96 1.04 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 0.00 133 N 7.86 4.63 0.00 2.85 2.97 0.00 0.00 7.01 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.21 4.53 0.00 2.93 2.94 0.00 0.00 7.19 7.87 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 0.00 135 L 8.50 4.57 0.00 1.77 1.72 1.00 0.94 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 0.00 136 K 8.48 4.64 0.00 1.53 1.39 0.00 1.46 0.00 0.00 1.12 0.00 0.00 2.43 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 1.19 7.81 137 Q 7.77 4.56 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 138 E 8.78 3.98 0.00 1.97 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 2.45 2.23 0.00 139 N 8.14 4.82 0.00 2.80 2.98 0.00 0.00 6.74 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 0.00 140 A 8.85 5.73 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 0.00 0.00 0.00 0.00 0.00 141 Y 8.76 4.92 0.00 2.84 2.89 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 0.00 142 L 8.56 5.03 0.00 1.74 1.14 0.85 0.11 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 0.00 143 L 7.95 5.18 0.00 1.09 0.33 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.50 5.56 1.66 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.75 1.00 0.00 0.00 145 R 8.40 5.03 0.00 1.78 1.96 0.00 2.75 0.00 0.00 2.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 146 R 9.38 4.33 0.00 2.06 2.11 0.00 3.22 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.