NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3930 8.3301 116.7984 58.1283 64.3040 173.1557 0 A 4.1405 8.2453 124.9363 51.1756 19.0588 175.9257 1 D 4.9366 8.4352 120.1467 55.4399 42.4843 174.6424 2 S 4.7720 9.1693 115.6263 57.0787 67.2036 172.7343 3 V 4.8234 8.3428 119.6547 61.4170 34.2984 174.5415 4 T 4.8170 9.2825 124.5359 61.7994 71.0029 173.1123 5 Q 5.5362 8.7271 123.7293 53.1148 32.1052 174.7524 6 T 3.7421 9.2883 109.3810 62.0617 69.6131 172.3721 7 G 3.7574 7.7038 105.2204 42.2071 0.0000 174.1210 8 G 4.0709 8.8191 109.7110 46.0189 0.0000 171.0494 9 Q 5.2828 7.9181 122.1979 53.2630 32.3603 174.4621 10 V 4.5847 8.8482 124.7824 60.9567 35.0646 173.7443 11 A 5.3251 8.6853 128.2945 50.2330 21.1871 175.2490 12 L 4.8905 8.9808 121.6226 53.0818 46.6494 175.9200 13 S 5.0351 8.8741 116.1390 56.7904 65.3840 174.2337 14 E 4.2299 8.5154 121.2283 58.0338 29.6716 177.6990 15 E 3.8904 9.2215 121.0593 56.5276 28.3284 174.6403 16 D 4.6934 7.6279 118.9054 53.9781 42.3622 175.1680 17 F 5.3168 8.5892 122.4646 56.9179 40.8718 174.2890 18 L 4.6913 8.0544 127.8587 53.5985 44.3988 175.2250 19 T 5.6282 8.1764 121.1400 61.1565 72.5122 173.1485 20 I 4.4641 7.9798 126.0978 59.6255 40.7290 174.7132 21 H 5.0032 8.8519 124.3639 56.1672 30.5105 175.3057 22 C 5.4325 9.1762 120.8753 55.9479 43.7023 172.2186 23 N 5.7803 9.7365 124.1650 51.5543 41.8102 173.0813 24 Y 5.1789 8.5142 119.5554 55.2509 42.0730 174.6823 25 S 4.7702 9.2049 114.9215 56.6090 64.6967 172.3777 26 A 5.3157 8.5814 127.7325 50.4044 21.6002 175.9082 27 S 4.5384 9.2996 116.1566 59.4961 64.5189 175.9968 28 G 4.3015 7.9174 108.0873 45.8915 0.0000 175.7319 29 Y 4.8607 8.2053 118.6363 54.8294 39.0097 172.1669 30 P 4.7884 0.0000 0.0000 62.1289 33.1287 175.8938 31 A 4.5683 8.8828 122.8167 50.8993 20.9503 176.3229 32 L 4.5138 8.0008 120.0558 52.8277 45.1046 175.6674 33 F 5.8461 8.7661 119.1336 55.5194 44.4845 173.4039 34 W 5.5654 8.3639 118.5279 55.3668 33.0339 174.1828 35 Y 5.0705 9.7105 121.1018 56.1378 41.9505 174.5389 36 V 4.2413 8.5774 120.9963 60.9162 35.0247 174.1162 37 Q 4.5999 8.6391 129.0027 54.4845 31.1876 174.2256 38 Y 4.6937 8.1816 124.3348 56.3035 39.9581 173.5928 39 P 4.2939 0.0000 0.0000 64.6945 31.7204 176.8521 40 G 3.9253 9.0584 109.9614 45.8915 0.0000 172.1571 41 E 4.7411 8.0182 117.6827 54.1277 33.3300 175.1667 42 G 4.0683 8.2321 107.0135 44.3443 0.0000 172.0375 43 P 4.8813 0.0000 0.0000 62.7607 32.2397 176.0585 44 Q 4.8266 9.1159 120.5605 53.9297 31.8989 174.3835 45 F 2.9888 9.1068 124.1901 59.2210 39.3704 173.0689 46 L 4.3209 6.8499 126.4894 54.8792 43.1160 176.1012 47 F 4.4044 5.6871 110.5214 56.1506 41.3487 171.3427 48 R 5.5133 8.7225 114.4764 54.9623 33.8455 173.9486 49 A 5.0172 8.2186 119.6378 51.9530 22.1081 177.6012 50 S 4.3512 9.3280 119.8507 59.7850 63.9867 174.4955 51 R 4.0745 7.4343 114.5625 53.2716 32.4726 173.4819 52 D 4.2220 7.9769 117.9677 56.0763 41.2989 177.3786 53 K 4.1479 9.3803 124.1037 56.5048 31.4738 175.9997 54 E 4.3066 7.9946 121.1543 55.6727 30.8716 174.9691 55 K 5.0554 8.7854 127.6089 54.7072 34.3845 175.2304 56 G 4.2461 8.9276 114.4579 44.2304 0.0000 172.4210 57 S 4.4768 7.3753 114.6166 57.0581 66.2382 173.6717 58 S 4.6256 9.4128 112.0294 59.3673 65.9552 177.1735 59 R 4.0154 10.2611 126.9574 57.2214 27.9055 177.1127 61 G 3.8688 8.4415 106.8245 45.0896 0.0000 174.0407 62 F 4.9525 8.2185 118.6701 57.1920 40.6590 174.7202 63 E 4.5225 8.9799 117.9741 55.6148 33.3057 173.7616 64 A 4.9566 7.9086 121.1116 51.4351 23.1035 175.1971 65 T 5.1369 8.3097 117.7861 61.5996 71.2228 173.5545 66 Y 4.2909 9.4707 128.3418 58.1996 40.0261 174.1143 67 N 5.3775 9.3784 126.9591 51.5371 39.9836 174.6298 68 K 4.3277 10.0760 128.1929 58.4762 32.8817 178.9264 69 E 3.8493 8.5590 118.7125 58.5829 29.6099 176.9436 70 A 4.4483 8.4358 118.4345 51.0477 20.0373 176.3911 71 T 3.1601 7.2473 107.3060 63.0213 68.2144 171.2713 72 S 5.2815 8.2997 114.6797 57.0098 67.1519 175.2836 73 F 5.8176 8.4965 121.4903 57.8017 38.4955 174.3514 74 H 4.8801 8.1023 118.5309 55.7741 30.3807 176.5920 75 L 4.0442 8.9022 126.5817 55.0573 43.2139 175.6475 76 Q 4.9966 8.9987 124.0844 54.1832 33.2542 174.5558 77 K 4.3325 7.9067 122.8656 55.7028 35.5128 175.8456 78 A 3.7477 8.5198 131.4075 54.6947 18.4106 177.2511 79 S 5.4632 7.1120 114.7621 56.2988 64.6173 173.8383 80 V 3.9592 8.1814 119.2410 61.8325 32.9981 175.0343 81 Q 4.8218 9.9032 121.4438 53.7744 32.8763 176.3109 82 E 3.9724 9.2137 121.5928 59.6371 29.6044 178.8827 83 S 4.4159 7.9968 110.1022 59.7944 63.1037 174.1864 84 D 4.9109 8.3686 120.9794 55.4431 41.0645 176.6519 85 S 4.8617 8.5027 116.4869 58.8349 63.4141 173.8104 86 A 4.2448 8.0477 124.8524 52.1117 23.3149 173.7495 87 V 4.6711 7.5639 116.9890 61.6731 33.6443 174.7557 88 Y 5.0378 9.0086 126.0656 56.6591 40.2224 174.1916 89 Y 5.1995 9.5037 121.7921 56.4523 41.1854 174.0280 90 C 4.1606 9.1727 123.6956 55.2602 44.3639 172.0329 91 A 4.9678 8.3210 124.9865 51.2643 23.0438 174.6329 92 L 5.1294 8.4310 118.2205 54.9614 44.3461 174.7258 93 S 4.8669 8.7146 113.6922 56.7910 66.7148 172.8933 *98 E 4.2078 8.5947 119.9605 55.9223 30.1119 176.2900 99 N 4.5964 7.7001 114.9461 54.1017 37.3744 176.7200 100 Y 4.3703 6.9573 117.8043 59.9951 37.9908 177.2512 101 G 3.9927 7.7024 107.8030 44.9746 0.0000 173.7407 101A N 4.3360 8.2084 118.0938 56.6467 38.8381 175.8154 102 E 3.7897 8.2022 113.3257 57.1259 26.6241 173.9048 103 K 4.3431 8.0747 118.4271 55.2822 32.9176 175.9585 104 I 4.4543 8.2438 125.2590 60.0988 38.7132 175.1866 105 T 4.5347 8.5039 124.5836 62.2870 70.0194 174.3963 106 F 4.8881 8.9411 124.7385 56.0135 41.7176 176.0450 107 G 4.1870 8.6827 108.2286 45.3915 0.0000 173.4120 108 A 4.2964 8.8355 121.4276 52.9293 18.9023 178.7282 109 G 3.5716 8.5391 101.3878 45.7901 0.0000 172.8878 110 T 4.7144 8.3867 117.0662 61.2361 72.1908 173.0579 111 K 4.5880 9.2510 129.1192 55.7824 33.9494 174.9973 112 L 5.0682 9.3312 130.1374 53.3450 44.6629 174.5262 113 Q 4.5994 9.2011 128.6232 54.5153 31.0530 174.5651 114 V 4.5193 8.4779 128.6197 61.1743 31.9635 175.7559 115 V 3.8633 8.9729 129.9260 61.9483 32.2025 174.2743 116 P 4.4322 0.0000 0.0000 63.1419 31.1714 176.0419 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 8.33 4.39 0.00 3.90 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 A 8.25 4.14 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 1 D 8.44 4.94 0.00 2.61 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 2 S 9.17 4.77 0.00 3.87 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 3 V 8.34 4.82 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 0.79 0.00 0.00 0.88 0.00 0.00 4 T 9.28 4.82 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 1.25 0.00 0.00 5 Q 8.73 5.54 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 6 T 9.29 3.74 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 1.38 0.00 0.00 7 G 7.70 3.76 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 0.00 0.00 0.00 8 G 8.82 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 0.00 0.00 0.00 9 Q 7.92 5.28 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 10 V 8.85 4.58 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 0.98 0.00 0.00 0.94 0.00 0.00 11 A 8.69 5.33 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 12 L 8.98 4.89 0.00 1.53 1.51 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.87 5.04 0.00 3.93 3.76 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 14 E 8.52 4.23 0.00 1.95 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 2.32 2.51 0.00 15 E 9.22 3.89 0.00 2.08 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 0.00 2.19 2.25 0.00 16 D 7.63 4.69 0.00 2.82 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 17 F 8.59 5.32 0.00 3.04 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 18 L 8.05 4.69 0.00 1.47 1.15 0.72 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.18 5.63 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 1.02 0.00 0.00 20 I 7.98 4.46 1.40 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 1.11 0.00 0.00 21 H 8.85 5.00 0.00 3.18 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.18 5.43 0.00 3.18 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 23 N 9.74 5.78 0.00 2.70 2.60 0.00 0.00 6.08 7.26 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 24 Y 8.51 5.18 0.00 2.90 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 25 S 9.20 4.77 0.00 3.86 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 26 A 8.58 5.32 1.33 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 27 S 9.30 4.54 0.00 4.06 4.04 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 28 G 7.92 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 0.00 0.00 0.00 0.00 29 Y 8.21 4.86 0.00 3.01 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 30 P 0.00 4.79 0.00 1.83 1.97 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 31 A 8.88 4.57 0.93 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 0.00 0.00 32 L 8.00 4.51 0.00 0.27 0.13 -0.65 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.77 5.85 0.00 2.98 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 34 W 8.36 5.57 0.00 2.27 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 35 Y 9.71 5.07 0.00 3.12 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 V 8.58 4.24 1.53 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 -0.41 0.00 0.00 0.49 0.00 0.00 37 Q 8.64 4.60 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 38 Y 8.18 4.69 0.00 2.98 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 39 P 0.00 4.29 0.00 2.09 2.07 0.00 3.94 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 2.17 0.00 40 G 9.06 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 0.00 0.00 0.00 41 E 8.02 4.74 0.00 2.21 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 2.27 2.26 0.00 42 G 8.23 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 0.00 0.00 0.00 43 P 0.00 4.88 0.00 1.75 1.97 0.00 3.43 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 1.45 1.88 0.00 44 Q 9.12 4.83 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 45 F 9.11 2.99 0.00 2.76 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 46 L 6.85 4.32 0.00 1.25 0.65 0.68 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 F 5.69 4.40 0.00 3.14 3.17 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 0.00 48 R 8.72 5.51 0.00 1.74 2.74 0.00 3.11 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 49 A 8.22 5.02 1.47 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 0.00 0.00 0.00 50 S 9.33 4.35 0.00 3.92 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 51 R 7.43 4.07 0.00 1.69 1.56 0.00 2.92 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.64 0.00 52 D 7.98 4.22 0.00 2.54 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 53 K 9.38 4.15 0.00 1.95 2.03 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.41 7.81 54 E 7.99 4.31 0.00 2.12 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 0.00 2.39 2.29 0.00 55 K 8.79 5.06 0.00 1.80 1.65 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.16 1.42 7.81 56 G 8.93 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 0.00 0.00 0.00 0.00 57 S 7.38 4.48 0.00 3.76 3.53 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 58 S 9.41 4.63 0.00 4.06 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 59 R 10.26 4.02 0.00 2.28 2.16 0.00 3.38 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 61 G 8.44 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 0.00 0.00 0.00 62 F 8.22 4.95 0.00 3.37 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 63 E 8.98 4.52 0.00 1.85 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 2.10 2.15 0.00 64 A 7.91 4.96 0.64 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 0.00 0.00 65 T 8.31 5.14 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 1.34 0.00 0.00 66 Y 9.47 4.29 0.00 3.27 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 67 N 9.38 5.38 0.00 2.93 2.79 0.00 0.00 6.42 6.49 0.00 0.00 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 K 10.08 4.33 0.00 1.96 1.91 0.00 1.28 0.00 0.00 1.53 0.00 0.00 2.46 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.35 7.81 69 E 8.56 3.85 0.00 1.99 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 0.00 2.30 2.32 0.00 70 A 8.44 4.45 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 71 T 7.25 3.16 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 0.88 0.00 0.00 72 S 8.30 5.28 0.00 3.43 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 73 F 8.50 5.82 0.00 2.80 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 74 H 8.10 4.88 0.00 3.22 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.90 4.04 0.00 0.27 0.82 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 9.00 5.00 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.47 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 77 K 7.91 4.33 0.00 1.14 1.00 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.58 0.69 7.81 78 A 8.52 3.75 1.24 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 79 S 7.11 5.46 0.00 3.69 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 80 V 8.18 3.96 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 0.48 0.00 0.00 0.91 0.00 0.00 81 Q 9.90 4.82 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 82 E 9.21 3.97 0.00 2.27 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 2.34 2.46 0.00 83 S 8.00 4.42 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 84 D 8.37 4.91 0.00 2.94 3.03 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 85 S 8.50 4.86 0.00 3.91 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 86 A 8.05 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.56 4.67 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 0.44 0.00 0.00 0.89 0.00 0.00 88 Y 9.01 5.04 0.00 3.06 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 89 Y 9.50 5.20 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 90 C 9.17 4.16 0.00 1.99 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 91 A 8.32 4.97 0.42 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 0.00 0.00 0.00 92 L 8.43 5.13 0.00 1.63 1.44 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.71 4.87 0.00 3.93 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 *98 E 8.59 4.21 0.00 1.40 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 2.05 1.88 0.00 99 N 7.70 4.60 0.00 2.84 3.13 0.00 0.00 7.32 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 0.00 100 Y 6.96 4.37 0.00 2.99 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 0.00 101 G 7.70 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 101A N 8.21 4.34 0.00 2.87 2.95 0.00 0.00 7.15 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 0.00 102 E 8.20 3.79 0.00 2.18 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 2.38 2.27 0.00 103 K 8.07 4.34 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 104 I 8.24 4.45 1.82 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 1.07 0.22 0.28 0.00 0.00 105 T 8.50 4.53 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 1.22 0.00 0.00 106 F 8.94 4.89 0.00 2.73 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 0.00 107 G 8.68 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 0.00 108 A 8.84 4.30 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 0.00 109 G 8.54 3.57 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 0.00 0.00 0.00 110 T 8.39 4.71 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 1.25 0.00 0.00 111 K 9.25 4.59 0.00 1.77 1.69 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.54 7.81 112 L 9.33 5.07 0.00 1.77 1.87 0.89 0.33 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 0.00 113 Q 9.20 4.60 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 114 V 8.48 4.52 2.17 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 0.85 0.00 0.00 1.01 0.00 0.00 115 V 8.97 3.86 2.19 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 0.82 0.00 0.00 0.94 0.00 0.00 116 P 0.00 4.43 0.00 2.22 2.34 0.00 3.86 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 1.99 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.