NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.5697 8.1227 122.4859 51.5745 21.5195 176.3631 4 V 4.7722 7.6977 114.9809 59.9107 34.8899 171.8963 5 T 4.8710 10.3084 119.4581 60.0417 72.2496 172.5093 6 Q 5.4601 8.6412 121.5475 54.6363 32.9069 174.8422 7 S 4.8058 8.8068 114.3109 56.9051 66.5830 172.7249 8 P 4.8324 0.0000 0.0000 62.0583 32.6589 175.9647 9 R 4.4260 8.3637 118.7725 58.0227 31.2549 175.7796 10 N 5.4629 7.9913 114.6416 51.2401 42.1552 174.1839 11 K 4.6018 9.1920 124.0124 55.0278 36.3222 174.5823 12 V 4.9223 8.4876 126.1305 61.0891 33.9649 174.1390 13 A 5.0328 9.4865 128.7289 50.3072 22.9133 174.9324 14 V 4.5553 8.0712 111.8552 59.4512 34.7824 176.2787 15 T 4.0652 8.3855 119.2838 65.7790 68.5548 174.7549 16 G 4.4346 9.0905 115.7385 44.3448 0.0000 173.4100 17 E 4.0709 8.1836 121.2601 56.0669 31.0999 175.5197 18 K 4.9582 8.3846 126.2421 54.4777 33.2246 175.4783 19 V 4.3596 8.7353 128.4384 61.2798 34.1102 174.2196 20 T 4.9838 8.3731 123.6128 61.6836 71.0922 173.1716 21 L 4.5796 8.9280 127.2898 53.0495 44.2584 175.5197 22 S 5.2135 9.2371 120.0813 56.9714 65.7026 172.3179 23 C 5.5962 9.0002 123.8850 54.8175 42.4790 172.0264 24 N 5.7812 9.4401 124.6280 51.9242 41.6067 173.1750 25 Q 5.1918 9.0647 124.4642 54.7622 31.3781 175.3367 26 T 5.1874 8.5754 107.3083 60.2614 68.6407 174.0880 27 N 4.8164 8.1893 118.4071 52.5553 39.1124 174.4873 28 N 4.2465 8.2326 113.6974 54.3475 36.8538 174.5143 29 H 4.4938 7.5601 111.4005 55.8981 29.5831 175.9913 30 N 4.6956 8.6814 118.2862 54.7578 39.1482 174.6046 31 N 5.8146 7.9134 115.7171 51.0672 40.9533 174.0631 32 M 5.2379 7.7128 121.6346 53.7009 36.6320 173.8737 33 Y 5.3862 9.8310 119.9377 56.1451 42.9267 174.3071 34 W 5.3027 9.7017 122.9473 55.4146 31.4182 174.5140 35 Y 5.5301 10.3502 123.5906 56.0743 41.6979 174.8241 36 R 4.6377 8.7778 117.7708 54.3740 32.6256 174.1365 37 Q 5.2407 9.1972 123.6042 54.6096 30.9138 174.3482 38 D 5.1134 8.9732 126.0402 52.1438 45.0908 175.6201 39 T 3.9736 8.5919 112.9467 63.3265 69.0774 174.6791 40 G 3.9697 9.1953 113.2991 45.6862 0.0000 173.3082 41 H 4.8230 7.9276 113.7944 53.9058 32.1560 175.5483 42 G 3.6875 7.7341 107.7455 46.7973 0.0000 174.8571 43 L 5.1499 8.5415 125.2092 52.7316 43.3329 175.4491 44 R 4.8652 8.6975 122.5389 54.0268 33.5900 174.9520 45 L 3.8017 8.5126 125.4815 55.4271 42.9628 176.4422 46 I 4.1682 8.9577 127.3351 63.0409 38.8682 175.1814 47 Y 5.4573 7.8223 117.6849 57.0138 42.7405 173.1345 48 Y 5.3805 9.5784 119.2237 55.9480 42.4420 173.5184 49 S 4.3168 8.4770 114.7529 56.5817 64.8139 174.5681 50 Y 4.8583 7.9235 124.0366 58.8154 38.4858 175.7111 51 G 4.1530 7.4732 108.6735 43.9881 0.0000 171.6837 52 A 4.0414 8.3683 121.6444 53.7905 18.4729 178.4525 53 G 3.9925 9.7295 111.4561 45.3605 0.0000 173.1879 54 S 4.8701 7.7056 112.5367 56.7921 66.2805 173.4403 55 T 4.7175 8.2826 114.2002 60.7556 70.5778 172.6148 56 E 4.7555 9.1643 126.8903 54.0925 33.4657 175.4173 57 K 3.2527 8.8495 123.5477 56.5481 32.6802 177.6934 58 G 3.9926 7.8963 113.9357 46.2022 0.0000 173.3339 59 D 4.6364 8.7749 119.4915 56.0601 41.5917 177.2176 60 I 4.7432 7.4025 110.6348 58.7570 35.5407 174.0667 61 P 4.5079 0.0000 0.0000 65.4898 32.7334 178.2798 62 D 4.3342 8.2988 120.2686 56.4228 41.2031 176.9439 63 G 3.5882 8.8162 112.0050 45.5777 0.0000 171.9831 *65 Y 5.4582 7.5388 115.7081 58.3367 39.5589 174.0757 66 K 4.3045 8.2258 117.7069 55.9345 36.1408 174.6381 67 A 4.8534 7.4965 121.8739 50.4367 22.8405 175.2005 68 S 4.5215 8.9162 112.8944 56.3794 66.1966 173.5193 69 R 5.2879 8.5176 125.5718 53.0554 28.5888 173.8776 70 P 4.0458 0.0000 0.0000 64.9715 32.0266 176.6295 71 S 4.6875 7.4822 110.6375 56.5720 65.9934 172.7872 72 Q 4.0969 8.6010 119.4594 59.2473 29.3606 177.6944 73 E 4.2187 8.1399 116.5329 57.8233 31.0171 176.2967 74 N 6.1210 8.0279 116.9025 50.4826 41.9232 173.6569 75 F 5.4888 8.8670 124.7121 56.7767 42.9233 173.1859 76 S 5.1480 9.3476 120.5279 56.3949 66.6090 172.4680 77 L 4.5524 7.9302 123.0394 53.3335 44.3600 175.1146 78 T 4.8781 8.8535 122.4344 61.7314 72.2616 173.0959 79 L 4.5615 9.1582 127.7634 52.9124 41.8876 176.7586 80 E 3.7067 8.7146 125.8476 58.7982 29.8387 176.4135 81 S 4.5230 7.5443 115.2806 55.8569 64.6534 172.0776 82 A 5.2072 9.3024 129.2901 51.8445 19.3688 176.1967 83 T 4.7579 8.4796 111.0104 59.0122 72.0606 173.1314 84 P 4.2844 0.0000 0.0000 65.9805 31.5225 178.7991 85 S 4.2507 7.9898 110.9422 60.8460 63.2185 174.7375 86 Q 4.4609 8.4378 119.9950 56.5804 28.4105 176.0304 87 T 4.9663 7.9272 116.2652 62.6587 67.1504 173.8024 88 S 4.5407 8.0237 120.7175 57.5674 66.4099 172.2764 89 V 4.7644 7.7334 117.9982 61.9180 33.7680 175.1947 90 Y 5.0796 9.0895 126.1102 56.5706 40.1615 174.6288 91 F 5.5551 10.4805 123.1663 56.0154 42.5943 173.3583 92 C 4.7776 10.5258 124.6125 55.1622 44.0593 172.1276 93 A 4.9865 9.1889 124.9764 50.8086 22.6004 175.1552 94 S 4.8592 7.9233 114.6961 56.4639 66.0717 173.0844 95 G 4.0920 9.2873 111.1148 44.3608 0.0000 173.3013 96 D 4.5011 8.8375 126.3700 52.5507 40.2316 176.4779 97 A 4.1041 8.5085 130.3064 55.1160 18.5556 178.5896 98 S 4.4352 8.2679 109.6570 59.9890 63.0499 174.3713 99 G 4.0804 7.8441 110.5235 45.1885 0.0000 172.7144 100 A 3.2883 8.0977 117.7509 53.0731 15.7374 178.0760 *104 E 4.3142 7.8551 116.7309 57.5611 31.2170 175.3075 105 T 4.1636 7.6300 112.6329 62.1020 68.4771 173.1287 106 L 5.0452 8.4296 128.7036 53.7756 43.6475 175.7353 107 Y 4.7504 7.9222 119.7379 55.3387 40.4520 174.8933 108 F 4.6132 9.0794 123.1424 56.7154 40.4450 176.1312 109 G 4.1897 8.8444 111.5691 43.6911 0.0000 172.1387 110 P 4.4127 0.0000 0.0000 64.7581 31.6882 177.0275 111 G 3.6513 8.4015 104.5622 44.4572 0.0000 172.0832 112 T 4.6651 8.9352 116.3530 61.5840 71.3557 174.0351 113 R 4.6056 9.0006 127.5182 55.4891 31.0082 175.2354 114 L 5.1884 8.9483 127.1842 53.4379 44.7663 175.1334 115 T 4.7954 9.0318 122.6899 61.7015 71.9123 172.9262 116 V 4.5467 8.7643 127.0764 61.0158 33.0087 175.2294 117 L 4.2730 9.3006 130.8324 55.2946 41.5707 176.2524 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 A 8.12 4.57 1.50 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 0.00 0.00 4 V 7.70 4.77 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 0.93 0.00 0.00 0.54 0.00 0.00 5 T 10.31 4.87 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 1.27 0.00 0.00 6 Q 8.64 5.46 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 7 S 8.81 4.81 0.00 3.90 3.96 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 8 P 0.00 4.83 0.00 2.35 2.09 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 9 R 8.36 4.43 0.00 1.96 1.98 0.00 3.19 0.00 0.00 3.32 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 10 N 7.99 5.46 0.00 2.60 2.66 0.00 0.00 6.59 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 11 K 9.19 4.60 0.00 1.78 1.55 0.00 1.42 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.39 7.81 12 V 8.49 4.92 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 0.90 0.00 0.00 0.93 0.00 0.00 13 A 9.49 5.03 1.15 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 0.00 0.00 0.00 14 V 8.07 4.56 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 0.70 0.00 0.00 0.95 0.00 0.00 15 T 8.39 4.07 4.22 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 1.19 0.00 0.00 16 G 9.09 4.43 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 0.00 17 E 8.18 4.07 0.00 2.10 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 2.25 2.22 0.00 18 K 8.38 4.96 0.00 1.83 1.65 0.00 1.69 0.00 0.00 2.24 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.17 7.81 19 V 8.74 4.36 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 0.83 0.00 0.00 20 T 8.37 4.98 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 1.11 0.00 0.00 21 L 8.93 4.58 0.00 0.84 1.03 0.61 -0.19 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 22 S 9.24 5.21 0.00 3.88 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 23 C 9.00 5.60 0.00 2.95 3.24 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 24 N 9.44 5.78 0.00 2.92 2.64 0.00 0.00 6.46 6.95 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 25 Q 9.06 5.19 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 26 T 8.58 5.19 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 1.26 0.00 0.00 27 N 8.19 4.82 0.00 2.75 2.73 0.00 0.00 7.06 6.80 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 28 N 8.23 4.25 0.00 2.84 2.87 0.00 0.00 6.92 7.47 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 29 H 7.56 4.49 0.00 3.15 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.68 4.70 0.00 2.79 3.14 0.00 0.00 7.51 6.92 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 31 N 7.91 5.81 0.00 2.80 2.59 0.00 0.00 7.37 7.66 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 32 M 7.71 5.24 0.00 1.69 1.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 33 Y 9.83 5.39 0.00 2.89 2.73 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 34 W 9.70 5.30 0.00 3.44 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 35 Y 10.35 5.53 0.00 3.22 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 36 R 8.78 4.64 0.00 1.35 1.27 0.00 2.66 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 37 Q 9.20 5.24 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 38 D 8.97 5.11 0.00 2.62 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 39 T 8.59 3.97 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 1.22 0.00 0.00 40 G 9.20 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 0.00 0.00 0.00 41 H 7.93 4.82 0.00 3.26 3.29 0.00 5.80 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 42 G 7.73 3.69 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 0.00 0.00 0.00 43 L 8.54 5.15 0.00 1.46 1.49 0.30 0.61 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 44 R 8.70 4.87 0.00 1.77 1.81 0.00 3.15 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 45 L 8.51 3.80 0.00 1.36 1.34 0.58 0.61 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 46 I 8.96 4.17 1.95 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.49 0.46 0.00 0.00 47 Y 7.82 5.46 0.00 3.05 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 48 Y 9.58 5.38 0.00 2.48 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 49 S 8.48 4.32 0.00 2.98 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 4.86 0.00 2.91 2.83 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 51 G 7.47 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 0.00 0.00 0.00 0.00 52 A 8.37 4.04 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 53 G 9.73 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 0.00 0.00 0.00 54 S 7.71 4.87 0.00 3.86 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 55 T 8.28 4.72 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 1.32 0.00 0.00 56 E 9.16 4.76 0.00 1.16 1.28 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 1.97 2.03 0.00 57 K 8.85 3.25 0.00 1.55 1.50 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.10 1.46 7.81 58 G 7.90 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 0.00 0.00 0.00 59 D 8.77 4.64 0.00 2.54 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 I 7.40 4.74 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 1.39 0.61 0.91 0.00 0.00 61 P 0.00 4.51 0.00 1.91 1.75 0.00 3.82 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 1.96 1.85 0.00 62 D 8.30 4.33 0.00 2.77 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 63 G 8.82 3.59 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 0.00 0.00 0.00 *65 Y 7.54 5.46 0.00 3.20 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 66 K 8.23 4.30 0.00 1.59 1.78 0.00 1.18 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.23 7.81 67 A 7.50 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.92 4.52 0.00 3.81 3.64 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 69 R 8.52 5.29 0.00 1.98 1.85 0.00 3.62 0.00 0.00 2.94 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 70 P 0.00 4.05 0.00 2.24 2.20 0.00 4.11 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 71 S 7.48 4.69 0.00 3.94 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 72 Q 8.60 4.10 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 73 E 8.14 4.22 0.00 1.96 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 2.40 2.30 0.00 74 N 8.03 6.12 0.00 2.67 2.76 0.00 0.00 6.50 7.80 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 75 F 8.87 5.49 0.00 2.90 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 76 S 9.35 5.15 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 77 L 7.93 4.55 0.00 0.27 0.13 0.69 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.85 4.88 4.09 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 1.16 0.00 0.00 79 L 9.16 4.56 0.00 1.31 1.37 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.71 3.71 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 2.33 2.32 0.00 81 S 7.54 4.52 0.00 3.82 3.60 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 82 A 9.30 5.21 1.22 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 0.00 0.00 83 T 8.48 4.76 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 1.22 0.00 0.00 84 P 0.00 4.28 0.00 2.20 2.17 0.00 3.59 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 2.11 2.10 0.00 85 S 7.99 4.25 0.00 4.00 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 86 Q 8.44 4.46 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 87 T 7.93 4.97 4.36 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 1.29 0.00 0.00 88 S 8.02 4.54 0.00 3.99 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 89 V 7.73 4.76 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 0.51 0.00 0.00 0.93 0.00 0.00 90 Y 9.09 5.08 0.00 3.04 3.14 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 91 F 10.48 5.56 0.00 2.96 3.19 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 92 C 10.53 4.78 0.00 1.23 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 93 A 9.19 4.99 0.29 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 94 S 7.92 4.86 0.00 3.77 3.68 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 0.00 0.00 0.00 0.00 95 G 9.29 4.09 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 0.00 0.00 0.00 96 D 8.84 4.50 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 97 A 8.51 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.27 4.44 0.00 4.02 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 99 G 7.84 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 0.00 100 A 8.10 3.29 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 *104 E 7.86 4.31 0.00 2.16 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 2.40 2.46 0.00 105 T 7.63 4.16 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 1.28 0.00 0.00 106 L 8.43 5.05 0.00 1.25 0.89 0.52 0.45 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 0.00 107 Y 7.92 4.75 0.00 2.92 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 0.00 108 F 9.08 4.61 0.00 2.87 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 0.00 109 G 8.84 4.19 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 0.00 110 P 0.00 4.41 0.00 2.29 2.30 0.00 3.92 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 111 G 8.40 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 0.00 112 T 8.94 4.67 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 1.22 0.00 0.00 113 R 9.00 4.61 0.00 1.91 1.90 0.00 3.33 0.00 0.00 3.11 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 114 L 8.95 5.19 0.00 1.73 1.70 0.85 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 115 T 9.03 4.80 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 1.22 0.00 0.00 116 V 8.76 4.55 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 0.75 0.00 0.00 0.97 0.00 0.00 117 L 9.30 4.27 0.00 1.75 1.51 0.92 0.89 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 * Residues marked with a * may have inaccurate shift predictions.