NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4335 8.3349 116.7877 57.9591 65.1517 174.3370 *3 F 4.2459 8.0823 117.3136 57.5339 39.7573 174.3707 4 L 4.6374 8.2621 119.4109 52.7470 44.6510 175.2250 5 L 4.2788 8.0563 120.8140 53.1600 42.7012 175.3389 6 P 4.4774 0.0000 0.0000 62.6743 32.8599 175.0348 7 K 5.0577 8.5420 120.5511 54.7445 34.5568 175.4000 8 L 4.8822 9.1047 124.7117 52.8157 44.6465 177.0666 9 T 4.4886 9.2691 112.3984 60.1651 69.9766 174.0778 10 S 4.8123 7.7448 114.8786 56.6741 66.7055 174.5067 11 K 4.1489 8.7319 123.8726 59.9173 31.9595 178.9195 12 K 3.9699 8.0646 119.2567 59.5443 32.1694 178.4926 13 E 3.9401 8.1727 118.8233 59.2503 29.3084 179.5007 14 V 3.2997 7.6735 118.0603 65.8681 31.5452 177.6988 15 D 4.3488 8.4402 119.2880 57.4956 40.7090 178.9404 16 Q 3.9352 8.1485 117.8280 59.1776 28.4768 178.3980 17 A 3.7479 7.8643 122.7035 54.7173 18.0393 179.6905 18 I 3.3476 7.3374 117.5831 64.4225 37.1827 178.5698 19 K 4.1185 7.8757 118.4524 58.3924 32.0151 178.5909 20 S 4.8124 7.8671 111.7435 57.6210 63.8976 174.3158 21 T 4.1719 7.3997 119.9685 62.6263 67.8989 173.6193 22 A 4.6060 8.2276 129.8183 51.3771 20.9086 176.4731 23 E 3.5963 9.1920 120.6379 56.7800 27.7931 174.3829 24 K 5.0980 7.0228 115.8055 54.4795 36.6596 176.3459 25 V 4.3264 9.2093 123.8274 63.0775 32.7313 174.6208 26 L 4.9187 9.4743 131.6183 54.4313 43.4949 175.1761 27 V 4.7786 9.1457 127.2860 61.3107 33.8319 174.2078 28 L 4.9156 8.9378 129.0363 53.0407 44.0928 175.9671 29 R 4.5623 8.8059 126.9749 55.0971 31.1728 175.1843 30 F 4.6388 9.4252 127.6205 57.2978 40.3680 175.6784 31 G 4.3275 8.1308 109.9087 46.7718 0.0000 171.5686 32 R 5.0539 7.9911 118.3266 54.2439 33.5345 176.0658 33 D 4.4296 8.9905 122.9188 56.7894 40.9674 177.1212 34 E 4.3473 7.9328 114.5399 56.5367 30.8195 176.3844 35 D 4.4304 7.9875 121.0574 53.7735 42.6385 174.8488 36 P 4.3821 0.0000 0.0000 65.7565 31.3214 179.0011 37 V 3.6899 7.9275 116.6496 65.9649 31.4959 177.6993 38 C 4.1430 8.4687 116.6521 62.7408 27.9861 176.0293 39 L 3.9474 8.4952 120.9225 57.7838 41.0679 179.5216 40 Q 3.9542 8.1145 117.8796 58.9703 28.7085 178.6766 41 L 3.9731 8.1711 121.4392 58.4264 42.0610 178.7703 42 D 4.3778 8.7096 119.1737 57.2448 40.5929 178.3135 43 D 4.2642 8.0580 118.6484 57.2364 41.2136 178.3234 44 I 3.6351 7.4552 120.4767 64.2913 36.8782 178.3360 45 L 3.6513 8.0169 120.1360 57.7482 41.2148 179.5976 46 S 4.0548 7.9583 111.8820 61.4338 62.4392 176.1029 47 K 4.1325 8.1046 120.3840 59.0223 32.2144 178.6568 48 T 4.3359 8.0475 108.7984 62.4893 69.0486 176.9408 49 S 4.1481 7.5345 117.4394 61.6023 63.1767 176.1382 50 S 4.1791 7.9549 116.1133 61.3662 62.1228 175.8198 51 D 4.3896 8.1136 119.1239 56.6186 40.9119 177.0917 52 L 4.4551 7.6362 117.5141 54.2131 42.1951 178.3465 53 S 4.4826 7.6978 114.4268 60.9332 62.9158 175.8930 54 K 4.1183 7.8995 119.1608 58.3397 32.2693 177.1301 55 M 3.9838 8.1558 117.3848 55.2901 34.0227 175.7224 56 A 5.2747 7.7917 118.0190 50.4848 22.6923 175.2878 57 A 4.7136 9.2964 122.5552 50.2013 21.8592 175.1609 58 I 4.9730 8.3742 123.4273 59.9043 39.3472 174.9190 59 Y 4.7911 9.1894 123.9973 56.1435 42.2713 174.3292 60 L 4.7870 8.8994 123.0265 53.3981 44.2213 175.7121 61 V 4.5959 8.5310 123.0485 60.8460 34.6817 173.9221 62 D 5.0336 8.7546 128.5128 53.6395 41.0401 177.0832 63 V 3.9217 8.6167 127.6466 64.9254 31.4646 177.4896 64 D 4.5561 8.3438 118.7194 55.9315 40.7929 176.7902 65 Q 4.6462 8.2693 116.9645 55.6936 29.9436 175.7455 66 T 4.7995 7.5915 107.0813 59.6244 69.0836 174.6804 67 A 4.0236 8.2907 126.4320 56.4531 18.7122 179.3419 68 V 3.4471 7.8229 115.7919 66.4743 31.4740 177.7269 69 Y 4.1287 7.9444 115.8018 61.2567 37.9198 177.9388 70 T 3.9160 8.5373 117.0770 66.7894 68.6123 176.7760 71 Q 3.9664 8.5336 120.3422 58.8874 28.5399 177.9109 72 Y 3.8104 7.6397 119.9467 60.7287 38.7467 177.1090 73 F 4.2586 8.2698 115.1183 57.3648 39.6221 174.6746 74 D 4.2091 7.5525 119.8246 55.1610 39.6560 174.5427 75 I 3.9693 8.0180 119.3560 61.6680 37.3823 176.7049 76 S 4.5216 8.6308 120.7897 58.2601 65.2049 174.1581 77 Y 4.6971 7.7282 116.3854 55.8259 41.4739 174.3428 78 I 4.7656 8.2420 116.4835 58.1651 40.5749 173.4653 79 P 4.8515 0.0000 0.0000 62.9909 33.1899 174.9480 80 S 5.2683 9.0220 116.8469 57.2033 66.5367 173.1122 81 T 5.1185 9.1906 121.3300 61.6946 71.5693 173.3400 82 V 4.4932 8.4178 124.9120 60.9644 35.0325 174.1499 83 F 5.7319 8.5783 123.0831 55.9367 42.8843 173.9358 84 F 5.4853 9.6625 120.5428 55.9529 43.8069 174.0266 85 F 4.9404 9.5134 123.4185 57.3424 42.5958 174.1737 86 N 4.1802 9.6665 124.5221 54.2970 36.0248 175.3949 87 G 4.0462 8.7614 104.3902 45.4468 0.0000 173.8221 88 Q 4.7478 8.1100 119.3418 54.0722 30.5205 174.4921 89 H 3.7336 8.8330 122.2921 56.0516 30.1984 174.0855 90 M 4.6222 8.6528 127.8822 54.3023 32.8573 176.3252 91 K 4.6929 8.8901 123.7816 55.5081 35.0747 176.1371 92 V 4.8474 8.8678 121.8417 61.4911 35.0158 173.6965 93 D 4.8137 9.3368 129.5426 52.8588 42.0998 175.9496 94 Y 4.8891 8.2833 125.4169 56.6793 38.4509 176.7164 95 G 3.9137 8.6364 111.3976 46.1029 0.0000 174.7336 96 S 4.3737 6.8526 112.8583 56.5088 63.3292 172.2546 97 P 4.1547 0.0000 0.0000 64.7393 31.3226 176.2154 98 D 4.4936 7.5121 117.9348 53.5233 41.3298 175.4911 99 H 5.4492 8.7461 122.4415 55.3706 29.4246 176.7258 100 T 4.2784 8.5920 111.0672 63.3877 69.3385 174.8720 101 K 4.7679 7.8791 118.9408 55.6471 35.6638 175.1471 102 F 4.3606 9.4676 125.5572 56.7973 40.9387 174.4901 103 V 4.4834 7.2903 127.8028 62.9837 32.2886 174.8098 104 G 3.6642 8.5546 113.8114 44.3756 0.0000 172.3851 105 S 4.5996 8.3752 113.7747 57.1260 63.8650 172.1431 106 F 4.9795 8.5282 120.0585 55.5796 40.3038 176.4378 107 K 4.1507 9.0364 124.4443 59.5045 32.1288 177.7365 108 T 4.8229 7.6284 106.7955 58.9039 73.1897 174.6602 109 K 3.9940 8.6185 121.2402 59.8545 32.1474 179.4278 110 Q 4.0197 8.0760 119.2381 58.9568 29.0128 177.7746 111 D 4.3966 8.1726 120.2921 57.2135 40.8285 178.3142 112 F 3.3439 7.8834 121.1574 61.1112 39.1715 177.0871 113 I 3.3032 7.5246 119.2264 64.4548 36.8894 178.0758 114 D 4.2537 8.4075 119.8985 57.1485 40.5444 178.6656 115 L 3.7819 7.7887 120.6146 58.1852 42.0639 178.9003 116 I 3.3359 7.2061 119.7603 64.4013 36.9222 178.0742 117 E 3.9021 8.1508 119.4316 59.4530 29.2386 179.6528 118 V 3.5116 7.6104 117.9914 65.9903 31.5920 178.0482 119 I 3.5154 7.8052 119.7391 64.4843 36.8665 177.6534 120 Y 3.8888 8.1969 120.5492 60.9728 38.5008 178.5810 121 R 3.8401 8.3372 119.1241 58.7954 30.0843 179.2787 122 G 3.4809 8.1513 105.5435 47.6761 0.0000 175.5882 123 A 3.7906 7.9053 124.0681 54.9355 18.0104 179.4398 124 M 3.6468 7.0309 115.9479 58.5217 32.0427 177.7985 125 R 4.0612 7.3030 114.8759 56.1851 30.3545 177.2981 126 G 3.8872 8.0471 106.5298 45.4211 0.0000 174.3090 127 K 4.2093 7.7962 118.5376 56.2738 32.6410 176.7952 128 L 4.7535 8.3517 119.0906 54.6428 44.6220 175.9691 129 I 5.0679 7.6415 118.0074 59.3102 41.0150 174.5090 130 V 4.5935 8.6919 121.2591 59.5988 35.7571 174.5099 131 Q 4.8354 8.4960 121.7007 55.0701 29.9202 175.5625 132 S 4.5826 9.2477 119.5576 57.4091 63.0007 172.3632 133 P 4.6005 0.0000 0.0000 63.4561 31.7643 175.5865 134 I 4.8205 7.6754 111.6394 59.3974 40.7181 174.0427 135 D 5.1190 8.4389 120.6516 51.6729 43.0520 174.7889 136 P 4.4788 0.0000 0.0000 62.3785 32.2668 176.1118 137 K 4.1993 8.5007 121.3653 56.3985 32.6529 176.9009 138 N 4.4543 8.7509 122.1915 53.2729 39.3572 174.5749 139 I 4.2895 8.0374 124.2378 58.6524 38.6995 173.8056 140 P 4.3779 0.0000 0.0000 62.2850 31.8399 176.0881 141 K 4.6956 8.1962 122.8970 54.8989 35.9648 176.5721 *142 Y 4.1791 8.4611 117.5867 57.2951 36.7749 177.0490 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 4.43 0.00 3.81 3.92 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 *3 F 8.08 4.25 0.00 2.56 2.29 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 4 L 8.26 4.64 0.00 1.56 1.52 0.89 0.92 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 5 L 8.06 4.28 0.00 1.56 1.51 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.48 0.00 2.00 1.98 0.00 3.49 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 1.11 1.19 0.00 7 K 8.54 5.06 0.00 1.61 1.74 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.47 7.81 8 L 9.10 4.88 0.00 1.42 1.46 0.58 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 T 9.27 4.49 4.37 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 1.21 0.00 0.00 10 S 7.74 4.81 0.00 4.05 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 11 K 8.73 4.15 0.00 1.91 1.92 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.41 7.81 12 K 8.06 3.97 0.00 1.88 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.53 7.81 13 E 8.17 3.94 0.00 2.21 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 2.31 0.00 14 V 7.67 3.30 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 0.08 0.00 0.00 0.82 0.00 0.00 15 D 8.44 4.35 0.00 2.92 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 16 Q 8.15 3.94 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 17 A 7.86 3.75 0.70 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 18 I 7.34 3.35 1.70 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 0.19 0.11 0.58 0.00 0.00 19 K 7.88 4.12 0.00 1.82 1.83 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.55 7.81 20 S 7.87 4.81 0.00 3.99 3.95 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 21 T 7.40 4.17 4.25 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 0.00 0.00 1.26 0.00 0.00 22 A 8.23 4.61 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 23 E 9.19 3.60 0.00 2.09 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 0.00 2.20 2.42 0.00 24 K 7.02 5.10 0.00 1.76 1.75 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 25 V 9.21 4.33 2.29 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 1.26 0.00 0.00 1.22 0.00 0.00 26 L 9.47 4.92 0.00 1.89 1.76 0.94 0.40 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 27 V 9.15 4.78 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 1.18 0.00 0.00 1.32 0.00 0.00 28 L 8.94 4.92 0.00 1.66 1.32 0.94 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.81 4.56 0.00 1.80 1.77 0.00 3.25 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 30 F 9.43 4.64 0.00 3.23 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 31 G 8.13 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.99 5.05 0.00 1.84 2.12 0.00 3.17 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 33 D 8.99 4.43 0.00 2.66 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 34 E 7.93 4.35 0.00 2.07 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 2.22 2.23 0.00 35 D 7.99 4.43 0.00 2.77 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 36 P 0.00 4.38 0.00 2.21 2.10 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 37 V 7.93 3.69 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 1.18 0.00 0.00 0.95 0.00 0.00 38 C 8.47 4.14 0.00 3.27 2.97 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 39 L 8.50 3.95 0.00 1.85 1.72 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.11 3.95 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 41 L 8.17 3.97 0.00 1.79 1.67 0.98 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.71 4.38 0.00 2.68 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 43 D 8.06 4.26 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.46 3.64 1.88 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 1.53 0.56 0.72 0.00 0.00 45 L 8.02 3.65 0.00 1.65 1.56 0.85 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.96 4.05 0.00 3.86 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 47 K 8.10 4.13 0.00 1.74 1.85 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.57 7.81 48 T 8.05 4.34 4.33 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 0.00 0.00 0.00 1.35 0.00 0.00 49 S 7.53 4.15 0.00 4.01 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 0.00 50 S 7.95 4.18 0.00 3.89 3.87 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 51 D 8.11 4.39 0.00 2.66 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 52 L 7.64 4.46 0.00 1.79 1.60 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.70 4.48 0.00 3.97 4.13 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 54 K 7.90 4.12 0.00 1.64 1.83 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.40 7.81 55 M 8.16 3.98 0.00 1.57 1.90 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 2.03 1.10 0.00 56 A 7.79 5.27 1.25 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 0.00 0.00 0.00 0.00 0.00 57 A 9.30 4.71 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 58 I 8.37 4.97 1.84 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 1.54 0.78 0.90 0.00 0.00 59 Y 9.19 4.79 0.00 2.75 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 60 L 8.90 4.79 0.00 1.60 1.52 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.53 4.60 1.07 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 0.53 0.00 0.00 0.41 0.00 0.00 62 D 8.75 5.03 0.00 2.79 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 63 V 8.62 3.92 2.36 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 0.84 0.00 0.00 1.10 0.00 0.00 64 D 8.34 4.56 0.00 2.87 2.80 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 65 Q 8.27 4.65 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.36 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 66 T 7.59 4.80 4.60 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 1.30 0.00 0.00 67 A 8.29 4.02 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 68 V 7.82 3.45 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 0.55 0.00 0.00 0.84 0.00 0.00 69 Y 7.94 4.13 0.00 3.45 3.39 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 70 T 8.54 3.92 4.35 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 1.27 0.00 0.00 71 Q 8.53 3.97 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 72 Y 7.64 3.81 0.00 2.75 2.81 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 0.00 0.00 0.00 73 F 8.27 4.26 0.00 2.97 2.81 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 0.00 0.00 0.00 74 D 7.55 4.21 0.00 2.69 2.62 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 75 I 8.02 3.97 1.89 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 1.39 0.73 1.00 0.00 0.00 76 S 8.63 4.52 0.00 3.74 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 4.70 0.00 2.97 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 78 I 8.24 4.77 1.94 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 1.51 0.72 1.05 0.00 0.00 79 P 0.00 4.85 0.00 2.21 2.26 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 80 S 9.02 5.27 0.00 3.82 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 81 T 9.19 5.12 4.30 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 0.91 0.00 0.00 82 V 8.42 4.49 2.01 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 0.82 0.00 0.00 -0.02 0.00 0.00 83 F 8.58 5.73 0.00 3.29 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 84 F 9.66 5.49 0.00 3.07 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 85 F 9.51 4.94 0.00 3.11 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 86 N 9.67 4.18 0.00 2.95 2.86 0.00 0.00 7.32 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 87 G 8.76 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 88 Q 8.11 4.75 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 H 8.83 3.73 0.00 2.76 3.19 0.00 5.91 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 90 M 8.65 4.62 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.96 0.00 91 K 8.89 4.69 0.00 1.71 1.87 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.21 7.81 92 V 8.87 4.85 2.48 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 1.22 0.00 0.00 0.97 0.00 0.00 93 D 9.34 4.81 0.00 2.57 2.48 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 94 Y 8.28 4.89 0.00 3.13 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 95 G 8.64 3.91 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 0.00 0.00 0.00 96 S 6.85 4.37 0.00 3.59 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 97 P 0.00 4.15 0.00 2.00 2.02 0.00 3.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 98 D 7.51 4.49 0.00 2.58 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 99 H 8.75 5.45 0.00 3.26 3.34 0.00 5.96 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 0.00 100 T 8.59 4.28 4.53 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 1.32 0.00 0.00 101 K 7.88 4.77 0.00 1.71 1.67 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.52 7.81 102 F 9.47 4.36 0.00 3.28 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 0.00 103 V 7.29 4.48 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 0.84 0.00 0.00 1.01 0.00 0.00 104 G 8.55 3.66 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 0.00 105 S 8.38 4.60 0.00 3.91 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 0.00 106 F 8.53 4.98 0.00 3.09 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 0.00 107 K 9.04 4.15 0.00 2.06 1.95 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.51 7.81 108 T 7.63 4.82 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 1.26 0.00 0.00 109 K 8.62 3.99 0.00 1.84 1.93 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.52 7.81 110 Q 8.08 4.02 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.77 0.00 111 D 8.17 4.40 0.00 3.18 2.97 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 0.00 112 F 7.88 3.34 0.00 2.19 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 0.00 113 I 7.52 3.30 2.05 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 1.42 0.63 0.80 0.00 0.00 114 D 8.41 4.25 0.00 2.78 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 0.00 115 L 7.79 3.78 0.00 1.75 1.48 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.21 3.34 1.51 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.30 0.72 0.00 0.00 117 E 8.15 3.90 0.00 2.06 1.97 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 2.24 2.31 0.00 118 V 7.61 3.51 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 1.09 0.00 0.00 0.94 0.00 0.00 119 I 7.81 3.52 1.76 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.23 0.80 0.00 0.00 120 Y 8.20 3.89 0.00 3.00 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 0.00 121 R 8.34 3.84 0.00 1.90 1.91 0.00 3.19 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 122 G 8.15 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 0.00 123 A 7.91 3.79 0.14 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 0.00 0.00 0.00 0.00 0.00 124 M 7.03 3.65 0.00 1.75 1.77 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 125 R 7.30 4.06 0.00 1.80 1.89 0.00 3.31 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 126 G 8.05 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 0.00 127 K 7.80 4.21 0.00 1.67 1.70 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 128 L 8.35 4.75 0.00 1.56 1.66 0.95 0.60 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 0.00 129 I 7.64 5.07 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.90 0.00 0.00 130 V 8.69 4.59 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 0.63 0.00 0.00 0.92 0.00 0.00 131 Q 8.50 4.84 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 132 S 9.25 4.58 0.00 4.09 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 0.00 133 P 0.00 4.60 0.00 2.24 2.15 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 134 I 7.68 4.82 2.03 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.75 1.06 0.00 0.00 135 D 8.44 5.12 0.00 2.71 2.64 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 0.00 136 P 0.00 4.48 0.00 1.70 0.99 0.00 3.79 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.85 0.00 137 K 8.50 4.20 0.00 1.74 1.78 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.73 7.81 138 N 8.75 4.45 0.00 2.56 2.72 0.00 0.00 6.86 7.45 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 0.00 139 I 8.04 4.29 1.69 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 1.40 0.53 0.68 0.00 0.00 140 P 0.00 4.38 0.00 2.03 1.96 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 141 K 8.20 4.70 0.00 1.62 1.65 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.74 1.29 7.81 *142 Y 8.46 4.18 0.00 2.33 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.