NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5170 8.2816 114.8092 58.2489 63.5807 170.4424 2 L 4.1466 7.8225 129.1546 52.4723 42.6454 173.9443 3 S 4.7488 9.4076 123.0554 56.7532 64.4832 172.7696 4 I 4.4367 8.4057 125.9348 60.4256 39.6865 176.9102 5 G 4.1055 9.7620 109.2984 44.4053 0.0000 172.0134 6 R 4.8711 8.7396 114.0452 54.8956 33.4833 175.7342 7 T 4.5139 8.5528 107.7002 62.5466 70.1697 173.6366 8 C 5.3473 7.5991 122.4980 58.1011 34.6553 172.8670 9 W 5.2044 9.6902 125.0498 54.9180 33.4725 174.0246 10 A 5.1857 8.7551 122.9589 50.3666 21.8493 175.3865 11 I 4.3741 9.2978 123.9962 59.3974 39.0474 176.8314 12 A 3.9735 8.7585 131.1820 54.5531 18.6385 177.0249 13 E 4.2146 7.6782 115.3984 55.0104 31.4975 176.2164 14 G 3.2009 8.7879 112.8080 45.2707 0.0000 171.5924 15 Y 5.0749 8.1269 122.8707 57.2199 42.0584 173.4204 16 I 4.2130 7.7984 128.0516 58.5397 37.8258 173.0841 17 P 4.3386 0.0000 0.0000 61.8453 31.7630 175.1512 18 P 4.3375 0.0000 0.0000 63.3952 31.7486 174.9482 19 Y 4.6891 7.5784 117.8622 57.2099 41.5745 174.5815 20 G 3.5120 7.3019 111.8146 46.6879 0.0000 174.2516 21 N 4.1863 9.0436 119.7549 53.5752 37.0083 174.2816 22 G 3.9752 7.6195 107.0981 43.0431 0.0000 170.9357 23 P 4.3008 0.0000 0.0000 62.3618 30.3372 176.4444 *31 E 4.5152 7.7186 120.1072 56.2737 30.5514 173.8591 32 T 4.7056 8.7888 120.1923 61.1554 72.2831 173.3076 33 V 4.3273 8.4349 125.2158 61.5619 33.3081 174.2485 34 C 4.5304 9.0438 127.2581 58.6565 29.7102 172.9820 35 I 4.8306 8.4585 124.4399 59.2257 40.3880 174.3300 36 L 4.9068 8.7241 127.4042 53.2582 45.4986 174.6362 37 N 5.1145 9.2091 124.7639 51.8964 40.2801 173.8502 38 A 4.4023 8.6525 125.9299 52.0728 19.9394 177.0237 39 G 3.9801 7.8496 104.2210 45.3256 0.0000 174.1782 40 D 4.8156 8.7253 117.2357 54.2674 41.5931 175.6780 41 E 4.7915 7.6889 120.2452 53.8391 31.7361 175.1942 42 D 4.5955 8.8356 125.6982 54.9606 41.9538 175.6254 43 A 4.6339 9.2325 124.9606 51.0335 20.5622 176.0516 44 H 4.9842 9.5803 121.9646 54.9527 29.1822 174.3784 45 V 4.4128 8.5621 124.1999 62.1837 33.2032 174.4185 46 E 5.1288 9.4273 126.9601 54.7875 32.7361 174.7031 47 I 5.0370 8.8932 125.8315 59.9423 40.0254 174.8973 48 T 5.0947 8.9060 122.4027 61.8607 72.0288 172.9000 49 I 4.9379 8.0627 125.5437 59.8525 39.8046 174.2676 50 Y 4.7508 9.1238 124.3026 56.4902 40.7971 174.3419 51 Y 5.3003 8.5034 118.9374 56.3136 41.5887 175.6016 52 S 4.6044 9.0846 113.6663 59.4246 63.8237 174.4971 53 D 4.8674 8.2046 117.3843 52.0169 40.6947 175.0924 54 K 4.7080 7.8512 117.3867 54.2827 35.5437 175.4750 55 E 4.1809 8.5986 119.0800 55.9716 29.9784 175.3304 56 P 4.4037 0.0000 0.0000 62.7072 32.3273 176.2388 57 V 4.0068 9.1562 124.4987 63.2916 32.5819 174.8487 58 G 3.8802 7.8422 114.9857 41.0000 0.0000 171.6774 59 P 4.5915 0.0000 0.0000 63.1942 31.9786 176.2309 60 Y 4.3257 9.4679 124.6585 56.8515 38.6485 175.5477 61 R 4.7613 8.4790 123.6759 55.9231 31.6310 175.9559 62 L 4.4450 7.9649 120.4143 54.8936 46.3328 173.0335 63 T 5.1551 8.6958 120.4091 61.7386 71.7057 173.7457 64 V 4.2630 9.0415 126.1579 60.3188 33.3100 173.1011 65 P 4.9065 0.0000 0.0000 62.5216 32.0288 176.3448 66 A 4.0731 9.2057 124.3917 53.1509 18.9745 177.8485 67 R 3.8135 8.4030 118.9331 57.1263 28.5202 175.9285 68 R 4.7725 7.9479 113.8794 55.1440 35.5871 174.8512 69 T 5.0493 7.8604 114.4080 60.3960 71.0330 172.8667 70 K 4.2161 8.4672 119.5370 56.0428 36.3233 173.2881 71 H 5.0627 9.0958 125.1586 54.8523 30.4917 174.9178 72 V 4.2282 8.5132 122.3550 60.9925 34.3649 174.8066 73 R 4.4296 8.4372 127.9967 55.4725 31.0223 177.6949 74 F 4.1406 8.8935 122.6040 60.6304 39.2563 177.1886 75 N 4.3863 8.4235 117.7468 56.7654 38.7816 175.5267 76 D 4.5536 7.8680 116.6450 56.2595 41.0523 176.8975 77 L 4.3070 7.8841 120.8927 54.9522 42.2521 177.3315 78 N 5.0458 8.8816 116.1270 52.3779 40.6778 173.3823 79 D 5.1100 7.9977 117.9366 51.3247 43.2130 173.8796 80 P 4.1329 0.0000 0.0000 65.4835 31.5450 175.8845 81 A 5.0406 6.5351 114.4377 51.4728 22.3206 174.1070 82 P 4.8182 0.0000 0.0000 61.8584 32.0972 176.4611 83 I 4.1452 8.0393 121.8923 59.5006 37.8402 174.4066 84 P 4.1317 0.0000 0.0000 63.3371 31.5339 176.1604 85 H 4.4195 8.5397 119.9488 55.3732 29.8120 173.8897 86 D 4.2236 8.8191 118.7977 55.2844 39.8945 173.8426 87 T 4.8123 7.3604 112.1737 61.9980 72.7661 173.6337 88 D 5.1759 9.0537 126.5636 54.1162 41.2740 175.4367 89 F 5.2057 8.9555 118.5073 55.1880 42.1825 173.0878 90 A 4.5968 8.8352 119.0366 50.7715 23.0163 175.2410 91 S 5.3018 9.4414 112.7801 56.9698 67.3588 173.1912 92 V 4.9173 8.9663 121.1962 61.4026 34.0987 174.0655 93 I 5.0537 9.2424 129.4006 59.9168 39.1805 174.9007 94 Q 5.3559 9.1614 125.5995 54.4537 32.4916 174.4709 95 S 5.2827 9.0439 114.8931 56.6022 65.4087 173.7807 96 N 4.6572 8.9680 121.5865 55.0755 37.8925 175.4607 97 V 4.6238 7.6660 110.8776 58.1989 35.4295 174.2128 98 P 4.5813 0.0000 0.0000 63.5598 31.8634 175.5494 99 I 4.8898 9.0952 116.5270 59.2651 42.1305 173.9151 100 V 4.6023 8.6246 121.9945 60.9865 33.7658 174.2114 101 V 4.3367 5.5467 127.0512 60.8435 34.1044 174.5088 102 Q 4.3301 8.6802 127.9059 54.8416 32.1071 173.3144 103 H 5.2572 8.9406 126.6590 55.8532 31.6738 174.2914 104 T 4.4555 8.4693 113.2668 60.4187 71.5246 175.1199 105 R 4.1940 8.7672 124.0885 57.3799 30.6555 176.4496 106 L 4.5750 7.5434 119.1543 52.5087 43.7311 175.1913 107 D 4.3635 8.7041 125.7059 54.5834 41.7745 176.8722 108 S 4.0784 8.8672 121.0341 61.4172 62.7883 175.6699 109 R 3.9680 8.2036 119.1743 58.1857 29.9049 177.5882 110 Q 3.9959 7.9126 117.6602 58.9420 29.2535 176.6109 111 A 4.0297 8.0521 120.9112 55.3352 18.7602 178.2435 112 E 4.3105 7.8328 117.2617 54.8107 28.4245 176.3938 113 N 3.9573 7.7346 120.5851 54.4381 39.5936 175.1761 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 1 S 8.28 4.52 0.00 4.00 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 2 L 7.82 4.15 0.00 1.83 1.60 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.41 4.75 0.00 4.00 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 4 I 8.41 4.44 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.96 0.00 0.00 5 G 9.76 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 0.00 0.00 0.00 6 R 8.74 4.87 0.00 1.66 1.82 0.00 2.28 0.00 0.00 2.59 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.86 0.00 7 T 8.55 4.51 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 1.25 0.00 0.00 8 C 7.60 5.35 0.00 2.94 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 9 W 9.69 5.20 0.00 3.28 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 10 A 8.76 5.19 1.16 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 0.00 0.00 11 I 9.30 4.37 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.84 0.00 0.00 12 A 8.76 3.97 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 13 E 7.68 4.21 0.00 1.86 1.67 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 2.19 2.22 0.00 14 G 8.79 3.20 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 0.00 0.00 0.00 15 Y 8.13 5.07 0.00 2.84 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 16 I 7.80 4.21 1.65 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 1.52 1.03 0.74 0.00 0.00 17 P 0.00 4.34 0.00 2.17 2.20 0.00 3.73 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 2.20 2.50 0.00 18 P 0.00 4.34 0.00 2.19 2.05 0.00 3.95 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 19 Y 7.58 4.69 0.00 3.00 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 20 G 7.30 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 0.00 0.00 0.00 21 N 9.04 4.19 0.00 2.86 2.96 0.00 0.00 6.91 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 22 G 7.62 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 0.00 0.00 0.00 23 P 0.00 4.30 0.00 2.07 2.09 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 *31 E 7.72 4.52 0.00 2.29 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 2.52 2.95 0.00 32 T 8.79 4.71 4.20 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 1.17 0.00 0.00 33 V 8.43 4.33 1.72 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 0.90 0.00 0.00 0.44 0.00 0.00 34 C 9.04 4.53 0.00 2.81 2.60 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 35 I 8.46 4.83 1.87 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 0.93 0.74 0.81 0.00 0.00 36 L 8.72 4.91 0.00 1.66 1.39 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.21 5.11 0.00 2.79 2.88 0.00 0.00 6.74 8.94 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 38 A 8.65 4.40 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 39 G 7.85 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 0.00 0.00 0.00 40 D 8.73 4.82 0.00 2.72 2.70 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 41 E 7.69 4.79 0.00 1.94 1.79 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 2.14 2.28 0.00 42 D 8.84 4.60 0.00 2.58 2.61 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 43 A 9.23 4.63 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 44 H 9.58 4.98 0.00 3.08 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.56 4.41 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 1.03 0.00 0.00 0.95 0.00 0.00 46 E 9.43 5.13 0.00 1.96 1.88 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 2.26 2.30 0.00 47 I 8.89 5.04 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 0.98 0.00 0.00 48 T 8.91 5.09 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 0.99 0.00 0.00 49 I 8.06 4.94 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.57 0.37 0.00 0.00 50 Y 9.12 4.75 0.00 2.83 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 51 Y 8.50 5.30 0.00 3.13 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 52 S 9.08 4.60 0.00 4.04 4.06 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 53 D 8.20 4.87 0.00 2.75 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 54 K 7.85 4.71 0.00 1.80 1.74 0.00 1.34 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.16 1.14 7.81 55 E 8.60 4.18 0.00 1.99 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 2.34 2.30 0.00 56 P 0.00 4.40 0.00 1.63 0.92 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 57 V 9.16 4.01 2.37 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 1.05 0.00 0.00 1.17 0.00 0.00 58 G 7.84 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 59 P 0.00 4.59 0.00 1.95 2.07 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 60 Y 9.47 4.33 0.00 3.04 2.98 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 61 R 8.48 4.76 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 62 L 7.96 4.45 0.00 1.67 1.48 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.70 5.16 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 1.28 0.00 0.00 64 V 9.04 4.26 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 0.96 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.91 0.00 1.97 1.99 0.00 3.75 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 2.03 2.12 0.00 66 A 9.21 4.07 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 67 R 8.40 3.81 0.00 1.95 1.98 0.00 3.13 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 68 R 7.95 4.77 0.00 1.89 1.75 0.00 3.22 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 69 T 7.86 5.05 4.23 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 1.20 0.00 0.00 70 K 8.47 4.22 0.00 1.81 1.56 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.21 1.30 7.81 71 H 9.10 5.06 0.00 2.98 3.17 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.51 4.23 1.85 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 0.68 0.00 0.00 0.85 0.00 0.00 73 R 8.44 4.43 0.00 1.91 1.87 0.00 3.33 0.00 0.00 3.45 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 74 F 8.89 4.14 0.00 3.36 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 75 N 8.42 4.39 0.00 2.77 2.94 0.00 0.00 6.99 8.47 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 76 D 7.87 4.55 0.00 2.89 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 77 L 7.88 4.31 0.00 1.99 1.63 0.88 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.88 5.05 0.00 2.92 3.03 0.00 0.00 5.69 8.07 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 79 D 8.00 5.11 0.00 2.57 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 80 P 0.00 4.13 0.00 1.78 1.94 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 81 A 6.54 5.04 1.18 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 0.00 0.00 82 P 0.00 4.82 0.00 2.05 2.01 0.00 3.73 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 83 I 8.04 4.15 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.09 0.33 0.00 0.00 84 P 0.00 4.13 0.00 1.99 1.93 0.00 3.73 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 1.74 2.01 0.00 85 H 8.54 4.42 0.00 2.92 3.11 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.82 4.22 0.00 2.64 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 87 T 7.36 4.81 4.54 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 1.41 0.00 0.00 88 D 9.05 5.18 0.00 2.67 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 89 F 8.96 5.21 0.00 2.71 2.93 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 90 A 8.84 4.60 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 91 S 9.44 5.30 0.00 4.07 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 92 V 8.97 4.92 2.32 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 1.12 0.00 0.00 0.93 0.00 0.00 93 I 9.24 5.05 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.97 0.00 0.00 94 Q 9.16 5.36 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 95 S 9.04 5.28 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 96 N 8.97 4.66 0.00 2.78 2.96 0.00 0.00 5.85 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 97 V 7.67 4.62 2.10 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 0.70 0.00 0.00 0.98 0.00 0.00 98 P 0.00 4.58 0.00 1.98 2.19 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 99 I 9.10 4.89 1.94 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 1.42 0.93 1.02 0.00 0.00 100 V 8.62 4.60 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 0.95 0.00 0.00 1.01 0.00 0.00 101 V 5.55 4.34 0.67 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 0.57 0.00 0.00 0.17 0.00 0.00 102 Q 8.68 4.33 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 103 H 8.94 5.26 0.00 3.27 3.21 0.00 5.74 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.47 4.46 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 0.00 105 R 8.77 4.19 0.00 1.81 2.06 0.00 3.36 0.00 0.00 2.49 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 106 L 7.54 4.57 0.00 1.56 1.54 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.70 4.36 0.00 2.75 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 0.00 108 S 8.87 4.08 0.00 3.89 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 0.00 109 R 8.20 3.97 0.00 1.87 1.90 0.00 3.21 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 110 Q 7.91 4.00 0.00 2.07 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 111 A 8.05 4.03 1.32 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 0.00 0.00 0.00 112 E 7.83 4.31 0.00 1.94 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 0.00 2.31 2.27 0.00 113 N 7.73 3.96 0.00 2.97 2.69 0.00 0.00 7.05 7.56 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 * Residues marked with a * may have inaccurate shift predictions.