NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6971 8.4201 119.2043 53.2478 41.7699 175.7455 0 A 4.0958 8.1274 128.2320 52.1763 17.5817 177.8226 2 K 4.0841 9.0403 116.4513 57.5110 32.1137 173.1782 3 K 4.0698 8.3112 129.2563 57.5578 32.8865 176.7713 4 G 3.8536 8.8181 106.9666 44.4992 0.0000 172.8541 5 T 4.4090 8.1892 106.4218 61.0545 69.9753 174.4655 6 V 3.9915 7.5754 122.4234 61.9530 30.2253 174.5854 7 L 4.3160 8.0574 126.1853 55.7759 42.8067 177.9501 8 N 4.4456 7.9719 117.8209 53.2629 40.4111 175.5093 9 S 4.1312 8.6194 123.0054 61.7657 63.2419 176.6027 10 E 4.0006 8.2421 121.8960 58.9236 29.1994 179.3182 11 I 3.6908 7.8906 119.4174 64.5072 37.3419 178.4694 12 S 4.1117 8.1539 115.9814 61.5400 62.4048 176.7790 13 S 4.0882 7.8936 115.0685 61.4260 62.3093 176.3574 14 V 3.7921 8.0432 121.9809 64.6847 31.3571 178.4536 15 I 3.7457 8.0006 120.9813 64.0971 36.7285 178.3247 16 S 4.2841 7.8686 113.3396 60.4791 63.0195 175.6339 17 R 4.3338 7.2354 119.8086 55.2435 30.6028 176.4100 18 L 4.2693 7.2972 119.9910 54.4583 42.4309 176.4844 19 G 4.1449 9.9627 112.1702 43.0436 0.0000 171.7756 20 H 4.4483 8.6036 118.7257 58.0639 29.7875 175.4184 21 T 3.4588 8.8514 116.0621 61.6308 68.7528 171.9350 22 D 4.6737 7.8931 122.9045 54.9066 42.2109 175.4362 23 T 5.1286 8.4102 110.5683 59.8902 72.5421 172.4022 24 L 5.1549 8.7620 124.3140 53.4306 45.7839 175.0122 25 V 4.8399 8.6864 125.9204 61.2234 34.0741 174.2491 26 V 4.9605 8.6959 127.6230 61.3104 33.7154 174.1340 27 C 5.7149 9.1231 122.0520 56.4929 33.4437 172.8813 28 D 5.2522 9.5831 119.7102 52.0014 41.1275 177.1929 29 A 4.1115 9.0597 121.3816 54.1417 18.2916 178.4916 30 G 3.9706 8.0535 102.9296 44.8805 0.0000 173.7578 31 L 4.1404 7.5410 122.5140 53.9797 42.6243 174.9067 32 P 4.4774 0.0000 0.0000 62.5758 32.1434 175.6028 33 I 4.4537 7.9690 120.6791 58.7615 39.1915 174.1010 34 P 4.4408 0.0000 0.0000 62.4686 31.7385 176.9524 35 N 4.6323 8.5707 117.5433 54.0936 37.6773 175.7916 36 S 4.4395 7.8938 112.7791 59.1697 63.5526 173.5463 37 T 4.6056 7.3821 114.6313 59.9645 70.5242 172.9360 38 A 4.1956 8.0750 127.6922 51.9594 19.7460 176.4120 39 R 4.6552 8.5543 122.4434 54.9048 31.6791 175.6206 40 I 4.3500 8.7227 128.7059 59.7954 38.7219 174.5817 41 D 4.9001 8.5158 126.3773 52.9330 42.9488 175.3543 *43 A 4.0206 8.2839 123.6076 52.3166 19.1146 175.8690 44 L 4.2001 8.8966 125.1632 56.6827 42.9890 176.0888 45 T 4.4226 7.3611 109.8963 60.5954 70.1968 171.8833 46 Q 4.0334 8.6036 122.2343 57.8740 28.6475 178.1043 47 G 3.9015 9.3686 111.5780 45.2708 0.0000 172.9589 48 V 4.4460 8.0875 120.4916 60.2968 34.2741 173.3391 49 P 5.0791 0.0000 0.0000 62.0445 33.5095 175.7590 50 S 4.6347 9.4405 115.8924 57.2920 64.7345 175.2754 51 F 4.1666 8.9915 119.7978 59.6487 39.2219 176.8867 *53 Q 4.1959 8.1830 119.5655 55.6191 30.6467 177.8381 54 V 3.5143 7.5728 116.4554 65.8334 31.5096 178.1829 55 V 3.3663 7.5485 118.1570 65.8503 31.0648 177.3772 56 D 4.1939 7.7732 115.9371 57.4057 41.4464 178.0020 57 V 3.6853 7.7648 118.5865 65.8850 31.6743 177.9246 58 V 3.5800 7.8649 118.3549 66.3289 31.1843 177.8191 59 T 4.1409 7.7855 106.6745 63.6858 68.8068 176.2909 60 R 4.0923 7.6785 120.4140 58.0132 30.4332 176.6003 61 E 4.4944 7.7855 118.1517 55.8290 30.2664 176.2544 *63 Q 4.2523 7.9155 117.2213 55.9562 30.6248 174.9676 64 V 4.9029 9.0968 125.4080 61.2417 32.6761 175.1146 65 E 4.6858 9.3801 125.1053 56.8093 31.9541 175.2248 66 A 4.9196 7.6080 119.9586 51.0674 23.0100 174.7825 67 A 5.1630 9.3577 120.6090 50.3082 23.0007 175.3089 68 I 5.0137 8.9402 122.1916 59.5262 40.5978 174.8780 69 L 5.3420 8.7224 124.7844 52.6247 46.4774 175.8395 70 A 4.7550 8.1346 123.5322 52.0427 19.4259 178.9427 71 T 3.8426 8.8923 119.7753 66.9609 68.5117 176.8635 72 E 3.6965 7.8265 119.5944 58.9910 29.2167 178.9944 73 I 3.6507 7.4335 118.8901 63.6020 37.6896 177.8801 74 K 3.7069 7.4638 118.8234 59.7189 32.0117 178.8519 75 Q 4.1340 7.8140 115.8475 58.0064 29.0514 177.3843 76 Q 4.5061 7.7769 116.3675 55.7777 30.6806 175.5870 77 N 5.0256 8.2561 119.8130 50.5180 39.5315 173.7068 78 P 4.2740 0.0000 0.0000 65.9661 31.7052 177.5311 79 Q 3.9341 8.0855 118.8461 59.1384 28.9813 178.1939 80 L 3.9688 7.9590 120.6893 58.1430 42.2383 177.8050 81 H 4.1882 8.4952 118.6609 59.5398 29.6508 176.8819 82 E 3.9031 8.4645 120.2128 59.9360 29.3982 179.4219 83 T 3.8876 7.9121 115.6467 66.6307 68.4245 176.4435 84 L 4.0984 8.2215 122.1713 58.1935 42.2345 178.9520 85 L 4.0554 8.0175 118.9592 58.1216 41.5226 179.6469 86 T 3.8890 8.2755 115.9935 66.8746 68.3088 176.1575 87 H 4.1948 8.3584 120.0672 59.3766 29.9570 177.3430 88 L 3.9052 8.4230 121.1969 57.5559 41.2834 179.1847 89 E 3.9286 8.3046 119.4269 59.4785 29.5621 178.9860 90 Q 3.9907 8.0942 118.1505 58.5681 28.7080 178.3842 91 L 3.9608 8.1727 122.0818 58.2059 42.1975 179.0633 92 Q 4.3170 8.0399 118.9089 58.7627 28.1743 178.6451 93 Q 3.9207 7.6448 118.7977 59.1110 28.8854 177.8243 94 H 4.2978 7.9778 115.8228 59.3384 28.9101 177.6574 95 Q 4.2091 8.4664 118.2767 56.5721 28.5570 176.9521 96 G 3.8928 8.1456 107.6687 46.1062 0.0000 172.7108 97 N 4.9095 7.7327 117.0246 51.2211 40.1424 171.9624 98 T 4.5010 8.2762 112.0550 60.6328 69.2990 173.7660 99 I 4.3048 8.8684 131.4316 60.4419 37.9237 175.8751 100 K 4.2011 8.6992 129.7685 56.2371 33.2285 175.4841 101 I 5.0126 8.3551 128.0778 59.6452 39.3890 174.9189 102 S 4.7045 8.6320 119.7843 56.9660 67.0641 172.2177 103 Y 5.4036 8.5478 117.2243 56.5729 41.2003 174.8582 104 T 4.9828 8.9076 112.4913 59.6800 73.2969 173.3601 105 T 4.2719 8.4379 111.2083 61.6395 69.5583 174.7643 106 H 4.2599 8.8608 122.3506 59.5558 29.6405 177.5313 107 E 3.9714 8.2721 119.9729 59.6301 29.3051 179.0429 108 Q 4.0014 8.0883 119.4466 58.8022 29.0907 177.6196 109 F 3.9943 8.7000 122.3091 61.4854 39.2123 177.2343 110 K 4.0434 8.2220 116.5405 59.4608 32.1053 179.1590 111 K 4.1093 7.9017 118.5256 59.5555 32.0113 179.4191 112 L 3.9700 8.0789 119.5182 57.8249 41.4527 179.6327 113 T 3.7472 7.8026 109.4479 64.3867 68.3024 176.2314 114 A 4.0753 7.7109 122.8126 54.2373 18.4262 178.1133 115 D 4.6867 7.7224 115.5107 53.4035 41.6527 176.8471 116 S 5.0124 6.9499 113.7013 57.0858 64.4005 174.4809 117 Q 4.0888 9.1046 120.3947 58.7823 28.9547 176.1496 118 A 4.9023 7.4668 116.4410 50.8935 22.8771 175.3198 119 V 4.6294 8.8137 120.6783 61.2547 34.0588 174.6898 120 I 4.6486 9.0127 130.1405 60.1111 38.3957 174.8669 121 R 4.6690 8.8660 129.8051 55.4965 30.6712 176.4181 122 S 4.6019 8.9145 122.3271 57.0779 65.4973 174.0468 123 G 4.0243 8.9513 105.2715 46.2683 0.0000 173.3438 124 E 4.4767 8.4341 123.2946 56.7682 30.2108 176.9576 125 C 4.7597 8.7359 122.8544 59.6285 29.7850 174.4130 126 S 4.2991 7.8099 113.4543 57.1339 63.3218 172.2859 127 P 4.0845 0.0000 0.0000 63.7300 31.6063 175.8851 128 Y 3.3854 7.6925 117.6808 59.1572 35.8223 171.3861 129 A 3.9386 7.3498 120.4974 50.6758 16.1424 177.6189 130 N 5.6493 7.5121 117.0228 50.8543 43.3613 175.6380 131 V 5.0333 9.5387 122.2439 60.2856 35.5042 174.2547 132 I 4.6078 9.0300 125.0188 60.0983 38.7350 174.5013 133 L 4.9734 8.9889 128.4139 53.5527 43.7787 175.3748 134 C 5.1382 9.0194 121.6184 57.7869 30.6268 173.1139 135 A 4.6707 8.9712 126.6063 52.0091 19.0961 176.5679 136 G 4.4275 8.1501 106.7312 46.4734 0.0000 174.1804 137 V 4.1325 8.2283 113.8119 61.3166 32.5471 175.8089 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 N 8.42 4.70 0.00 2.68 2.91 0.00 0.00 6.99 7.08 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 A 8.13 4.10 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 2 K 9.04 4.08 0.00 1.80 2.09 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 K 8.31 4.07 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.82 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 0.00 0.00 0.00 5 T 8.19 4.41 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 6 V 7.58 3.99 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 0.82 0.00 0.00 0.94 0.00 0.00 7 L 8.06 4.32 0.00 1.66 1.69 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.97 4.45 0.00 2.74 2.68 0.00 0.00 6.99 7.63 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 9 S 8.62 4.13 0.00 4.08 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 10 E 8.24 4.00 0.00 2.16 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 2.32 2.49 0.00 11 I 7.89 3.69 1.86 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 1.63 0.74 0.90 0.00 0.00 12 S 8.15 4.11 0.00 4.02 3.90 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 13 S 7.89 4.09 0.00 3.87 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 14 V 8.04 3.79 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 0.87 0.00 0.00 0.92 0.00 0.00 15 I 8.00 3.75 1.86 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 1.57 1.20 0.90 0.00 0.00 16 S 7.87 4.28 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 17 R 7.24 4.33 0.00 1.90 2.00 0.00 3.16 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 18 L 7.30 4.27 0.00 1.76 1.60 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.96 4.14 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 0.00 20 H 8.60 4.45 0.00 3.09 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.85 3.46 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 0.91 0.00 0.00 22 D 7.89 4.67 0.00 2.75 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 23 T 8.41 5.13 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 1.16 0.00 0.00 24 L 8.76 5.15 0.00 1.72 1.48 0.91 0.76 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 25 V 8.69 4.84 2.11 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 1.08 0.00 0.00 0.87 0.00 0.00 26 V 8.70 4.96 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 0.79 0.00 0.00 0.84 0.00 0.00 27 C 9.12 5.71 0.00 3.31 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 28 D 9.58 5.25 0.00 2.99 3.01 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 0.00 29 A 9.06 4.11 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 30 G 8.05 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 0.00 0.00 0.00 31 L 7.54 4.14 0.00 1.82 1.66 1.09 1.16 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 32 P 0.00 4.48 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 33 I 7.97 4.45 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.92 0.00 0.00 34 P 0.00 4.44 0.00 2.17 1.97 0.00 3.59 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 35 N 8.57 4.63 0.00 2.81 2.93 0.00 0.00 6.12 7.64 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 36 S 7.89 4.44 0.00 3.99 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 37 T 7.38 4.61 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 38 A 8.07 4.20 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 39 R 8.55 4.66 0.00 1.83 1.85 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 40 I 8.72 4.35 1.87 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 1.11 0.66 0.91 0.00 0.00 41 D 8.52 4.90 0.00 2.69 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 *43 A 8.28 4.02 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 44 L 8.90 4.20 0.00 1.59 1.87 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.36 4.42 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 1.21 0.00 0.00 46 Q 8.60 4.03 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 47 G 9.37 3.90 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 0.00 0.00 0.00 48 V 8.09 4.45 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 1.07 0.00 0.00 0.98 0.00 0.00 49 P 0.00 5.08 0.00 2.18 2.16 0.00 3.76 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 2.07 1.96 0.00 50 S 9.44 4.63 0.00 3.94 4.07 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 51 F 8.99 4.17 0.00 3.14 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 *53 Q 8.18 4.20 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 54 V 7.57 3.51 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 0.92 0.00 0.00 0.96 0.00 0.00 55 V 7.55 3.37 1.76 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 0.89 0.00 0.00 0.14 0.00 0.00 56 D 7.77 4.19 0.00 2.51 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.76 3.69 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 0.92 0.00 0.00 0.93 0.00 0.00 58 V 7.86 3.58 2.11 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 0.97 0.00 0.00 0.94 0.00 0.00 59 T 7.79 4.14 4.26 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 1.28 0.00 0.00 60 R 7.68 4.09 0.00 1.94 2.02 0.00 3.11 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 61 E 7.79 4.49 0.00 1.96 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 2.24 2.23 0.00 *63 Q 7.92 4.25 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 64 V 9.10 4.90 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 0.86 0.00 0.00 0.93 0.00 0.00 65 E 9.38 4.69 0.00 2.03 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 2.39 2.24 0.00 66 A 7.61 4.92 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 67 A 9.36 5.16 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 68 I 8.94 5.01 1.88 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 1.20 0.70 0.98 0.00 0.00 69 L 8.72 5.34 0.00 1.46 1.57 1.01 0.68 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 70 A 8.13 4.76 1.04 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 0.00 0.00 71 T 8.89 3.84 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 1.07 0.00 0.00 72 E 7.83 3.70 0.00 1.16 1.12 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 1.84 2.09 0.00 73 I 7.43 3.65 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.89 0.00 0.00 74 K 7.46 3.71 0.00 1.66 1.70 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.23 7.81 75 Q 7.81 4.13 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 76 Q 7.78 4.51 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.34 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 77 N 8.26 5.03 0.00 2.79 2.62 0.00 0.00 6.80 7.12 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 78 P 0.00 4.27 0.00 2.31 2.45 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 79 Q 8.09 3.93 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 80 L 7.96 3.97 0.00 1.85 1.68 0.85 0.34 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 81 H 8.50 4.19 0.00 3.31 3.51 0.00 5.66 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 82 E 8.46 3.90 0.00 2.15 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 2.49 2.51 0.00 83 T 7.91 3.89 4.31 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 1.26 0.00 0.00 84 L 8.22 4.10 0.00 2.04 1.94 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.02 4.06 0.00 1.87 1.71 0.80 0.62 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 86 T 8.28 3.89 4.42 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 0.00 0.00 1.24 0.00 0.00 87 H 8.36 4.19 0.00 3.29 3.51 0.00 5.79 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 88 L 8.42 3.91 0.00 1.85 1.71 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.30 3.93 0.00 2.30 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 0.00 2.30 2.35 0.00 90 Q 8.09 3.99 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 91 L 8.17 3.96 0.00 1.69 1.75 0.97 0.86 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 92 Q 8.04 4.32 0.00 2.45 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 93 Q 7.64 3.92 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 94 H 7.98 4.30 0.00 3.29 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.47 4.21 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 96 G 8.15 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 97 N 7.73 4.91 0.00 2.81 2.91 0.00 0.00 5.51 7.22 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 98 T 8.28 4.50 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 1.21 0.00 0.00 99 I 8.87 4.30 1.87 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 1.26 0.66 0.91 0.00 0.00 100 K 8.70 4.20 0.00 1.88 1.67 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 101 I 8.36 5.01 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 1.37 0.60 0.58 0.00 0.00 102 S 8.63 4.70 0.00 3.84 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 0.00 103 Y 8.55 5.40 0.00 2.87 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 0.00 104 T 8.91 4.98 4.31 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 1.27 0.00 0.00 105 T 8.44 4.27 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 1.23 0.00 0.00 106 H 8.86 4.26 0.00 3.38 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.27 3.97 0.00 2.14 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 2.44 2.47 0.00 108 Q 8.09 4.00 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 F 8.70 3.99 0.00 3.33 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 0.00 110 K 8.22 4.04 0.00 1.94 1.90 0.00 1.78 0.00 0.00 1.44 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.58 7.81 111 K 7.90 4.11 0.00 1.91 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.08 3.97 0.00 1.58 1.54 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.80 3.75 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 1.04 0.00 0.00 114 A 7.71 4.08 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 0.00 115 D 7.72 4.69 0.00 2.74 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 0.00 116 S 6.95 5.01 0.00 4.10 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 0.00 117 Q 9.10 4.09 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 118 A 7.47 4.90 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 0.00 119 V 8.81 4.63 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 1.10 0.00 0.00 0.94 0.00 0.00 120 I 9.01 4.65 1.86 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 1.11 0.58 0.90 0.00 0.00 121 R 8.87 4.67 0.00 1.83 1.85 0.00 3.27 0.00 0.00 3.54 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 122 S 8.91 4.60 0.00 4.11 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 0.00 123 G 8.95 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 0.00 0.00 0.00 124 E 8.43 4.48 0.00 2.36 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 2.27 2.39 0.00 125 C 8.74 4.76 0.00 2.86 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 0.00 126 S 7.81 4.30 0.00 3.92 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 0.00 127 P 0.00 4.08 0.00 2.11 1.83 0.00 3.79 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 2.14 2.03 0.00 128 Y 7.69 3.39 0.00 3.00 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 0.00 129 A 7.35 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.51 5.65 0.00 2.17 2.91 0.00 0.00 6.99 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 0.00 131 V 9.54 5.03 2.47 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 0.95 0.00 0.00 1.14 0.00 0.00 132 I 9.03 4.61 1.79 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 0.87 0.12 0.81 0.00 0.00 133 L 8.99 4.97 0.00 1.67 1.58 0.90 0.64 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 0.00 134 C 9.02 5.14 0.00 2.81 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 0.00 135 A 8.97 4.67 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 0.00 136 G 8.15 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 0.00 137 V 8.23 4.13 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 0.72 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.