NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0687 8.1849 120.5548 54.2040 43.6891 177.5444 3 W 4.8142 6.9703 117.0108 56.9248 29.3278 174.3054 4 K 4.7150 10.3070 121.2387 55.7526 34.2884 176.0621 5 K 4.7346 8.0653 118.1378 54.4486 35.2590 176.0543 6 T 4.1407 8.3742 112.9029 61.5229 69.8020 173.5106 7 F 4.6490 7.0720 115.8335 55.4452 40.1803 173.6773 8 T 4.5920 7.8333 110.8349 59.1476 72.9843 174.8963 9 L 3.9792 8.5331 122.5917 57.7805 41.6742 179.5326 10 E 3.9166 8.0926 118.9199 59.4544 29.7465 178.5094 11 N 4.3383 8.3129 116.5959 56.2200 38.5935 177.4639 12 L 3.9308 8.0675 120.4711 57.9716 41.5028 179.4212 13 N 4.3909 8.0430 115.1427 56.1038 38.6671 177.3589 14 Q 4.1012 7.9734 119.8066 58.8963 28.6348 178.3697 15 L 3.9727 8.1603 120.4326 58.0445 42.1788 178.0139 16 C 4.3492 7.7982 114.4511 59.4397 28.6751 174.1949 17 S 4.1434 7.1581 115.8099 59.0752 63.3958 173.1985 18 N 4.1043 8.6835 117.7336 54.2078 37.0974 172.9193 19 S 4.5994 7.9120 111.4634 56.1203 67.9394 173.5613 20 A 4.0003 8.5126 122.0926 55.0288 17.9949 179.8612 21 V 3.4890 7.5739 117.2140 66.3352 31.6347 178.4855 22 S 4.1459 7.9689 113.5194 61.6556 62.7055 175.5695 23 H 4.1098 8.2672 121.0743 58.4565 29.6172 176.1868 24 L 4.4215 7.5523 118.2311 53.8522 41.7594 177.2311 25 G 3.8806 7.9430 107.1175 45.8846 0.0000 173.9672 26 I 4.1476 7.4661 120.4028 60.8071 37.7847 175.0429 27 E 4.8060 8.9407 125.7430 54.1426 32.6225 174.6882 28 I 4.2861 9.0839 129.0528 61.6979 36.8551 175.8112 29 S 4.7473 8.6519 122.2963 59.2834 64.8339 173.8747 30 A 4.7487 7.9422 119.8539 51.7212 22.1844 174.7835 31 F 4.4482 8.0820 112.8116 56.1345 40.6600 174.1136 32 G 3.4355 7.5242 108.3217 44.1319 0.0000 172.1027 33 E 4.2793 8.8770 117.7816 59.0237 29.6176 177.2494 34 D 4.5800 7.7428 117.2757 51.7292 40.2560 174.5556 35 W 5.6768 7.9218 114.2255 57.0166 31.4724 172.6997 36 I 5.2398 9.0708 120.9030 59.9072 41.4506 173.4609 37 E 5.5881 10.0648 126.7539 54.7417 33.8561 174.6612 38 A 5.2300 8.8578 122.2535 50.9591 23.1144 175.8598 39 T 5.3102 9.0019 112.5632 58.5934 72.2287 171.3609 *41 P 4.2983 0.0000 0.0000 63.3084 32.6670 176.9073 42 V 4.2314 8.4942 122.3769 61.8944 31.4275 174.1427 43 D 4.7116 8.5490 128.0779 52.4732 42.0957 175.2564 44 H 4.1131 9.2520 112.6483 59.1178 28.3857 176.5702 45 R 3.9247 8.1060 118.9175 57.9680 30.6307 176.6832 46 T 4.4378 7.6440 107.9424 60.6826 68.3128 172.6893 *48 Q 4.2158 7.5929 120.0935 55.5155 30.1520 175.0031 49 P 4.3684 0.0000 0.0000 64.8203 31.1846 176.8121 50 F 4.8453 7.0236 113.8552 56.6975 38.1780 176.7551 51 G 3.9444 7.8557 108.3295 46.2785 0.0000 174.2654 52 V 4.6476 6.8557 111.3159 58.5971 35.0135 175.2490 53 L 3.9004 8.7377 125.1320 56.0409 42.7743 176.2455 54 H 4.1070 9.2699 127.1044 55.8283 30.2273 176.1110 55 G 3.5826 8.9428 113.4698 47.9309 0.0000 175.3968 56 G 3.7086 8.1250 107.4176 47.6955 0.0000 175.8816 57 V 3.6473 7.8854 120.1379 65.6902 31.5571 178.1327 58 S 4.1397 7.9765 115.0835 61.5902 62.5862 176.8239 59 V 3.6416 7.7152 120.5841 65.7263 31.2270 177.9476 60 A 3.9856 7.9561 120.8661 54.9499 18.1959 179.4043 61 L 3.8640 8.0717 118.7171 58.1078 42.1965 179.0141 62 A 3.9891 8.0534 120.8099 55.2724 18.3884 179.2949 63 E 3.9007 8.5798 118.1785 59.4701 29.6355 179.0619 64 T 3.7650 7.7302 115.9609 66.7745 68.5891 176.4967 65 I 3.7283 7.8815 120.5319 63.7685 38.0037 178.2949 66 G 3.2760 8.1007 106.8117 47.7256 0.0000 175.9989 67 S 3.9680 7.9128 117.8301 60.9080 62.8698 176.4933 68 L 3.6897 7.6972 122.7662 58.0066 41.6076 178.6860 69 A 3.8371 7.3558 119.3347 55.1987 18.5312 179.5532 70 G 3.9037 7.2822 104.2103 47.9753 0.0000 176.1114 71 S 4.2382 8.0511 116.5717 60.9287 63.0710 175.9563 72 L 4.3769 7.8334 121.0615 56.0197 41.1970 177.5705 73 C 4.8848 7.7885 115.9319 59.2929 28.3275 173.2114 74 L 4.9231 7.3788 117.7966 52.7457 44.6316 176.4382 75 E 4.3466 8.4446 120.4493 55.4449 30.4427 176.2647 76 E 3.9505 8.5051 119.9055 58.5256 30.0689 178.1196 77 G 4.0483 9.6514 109.9254 44.9181 0.0000 172.8623 78 K 5.1045 7.4511 117.6064 55.3106 36.5216 175.3882 79 T 4.6413 8.6299 116.0103 61.5158 71.3198 172.2301 80 V 5.0604 8.2763 114.1469 59.5463 35.6284 175.6804 81 V 4.3768 8.3593 121.2913 60.8291 34.8095 174.8765 82 G 3.9505 8.8605 115.5041 46.9538 0.0000 172.7096 83 L 4.6865 8.8652 126.3823 56.4757 42.7463 176.5687 84 D 4.7195 7.7655 115.5139 52.8664 42.3991 173.7157 85 I 5.2169 8.0921 118.5703 59.9789 41.2881 173.1152 86 N 5.2621 8.9308 123.4609 51.7596 41.1930 172.7535 87 A 4.9549 8.1704 118.3843 51.2809 22.4305 175.2739 88 N 4.8981 8.8663 117.6933 51.7063 41.7475 173.4514 89 H 4.9810 8.7098 120.8816 55.0804 29.2437 174.9568 90 L 4.6137 8.7846 124.1256 56.0760 42.9042 177.2182 91 R 4.5325 7.5426 111.5368 54.3598 31.5750 172.6810 92 P 4.5032 0.0000 0.0000 62.6012 32.4716 175.7916 93 V 4.4180 8.1898 118.8750 61.2418 33.9684 175.8225 94 R 4.7274 8.5689 121.4073 55.7989 30.4482 174.6873 95 S 4.4615 7.9132 111.7590 58.2108 66.2455 175.3190 96 G 4.0406 8.8098 107.3301 45.0707 0.0000 172.5983 97 K 4.8737 8.3951 118.6127 55.0916 36.0988 175.6948 98 V 4.6037 8.0182 112.5147 60.2190 34.7962 174.7678 99 T 5.0928 8.8567 119.2539 61.8123 71.7343 172.7685 100 A 5.1103 9.1442 128.8994 50.1748 21.7965 175.1220 101 R 5.1260 9.0674 123.4775 54.5248 32.6764 174.2833 102 A 5.5121 9.1557 129.0978 50.9069 21.0120 175.7988 103 T 5.2214 9.3409 113.0450 59.1260 72.4162 171.7434 104 P 3.4861 0.0000 0.0000 62.9014 31.6803 175.6590 105 I 4.1392 7.9218 123.3551 62.9030 38.8995 176.0757 106 N 4.4710 7.3859 118.5530 52.6388 42.3360 173.1999 107 L 4.5868 8.5942 126.9963 53.1207 42.3938 176.3655 108 G 3.9897 8.7569 114.0216 43.7490 0.0000 172.2206 109 R 4.1065 8.4674 117.5180 58.2771 30.3760 177.7233 110 N 4.9744 8.1437 113.2365 53.1033 41.1177 174.0120 111 I 5.2566 7.4694 117.6385 59.5745 41.9350 174.2129 112 Q 5.1011 9.3086 124.4217 54.0817 32.5866 174.6150 113 V 4.9201 8.7518 122.5524 60.9834 34.4840 174.2495 114 W 5.1263 9.5390 127.6792 54.9296 32.7609 174.1144 115 Q 5.0212 9.3516 124.8060 54.7177 30.9855 174.4088 116 I 5.0907 8.9670 126.3984 59.9403 40.9414 173.7948 117 D 5.3907 8.8438 127.0124 52.4941 43.6945 175.4839 118 I 4.9699 8.8664 123.8182 59.6438 39.9134 174.9564 119 R 5.2814 8.9533 125.6304 54.4716 34.1208 175.8683 120 T 4.6045 8.7979 112.8930 60.3676 70.2650 175.5031 121 E 4.0051 8.5657 118.3687 58.6049 28.3043 177.8322 122 E 4.3797 8.1393 118.7250 55.8842 29.5556 176.2725 123 N 4.3712 8.2270 116.2176 54.3041 38.1556 173.6331 124 K 4.4135 7.1974 115.0903 54.1087 33.4923 175.8760 125 L 4.5734 8.4466 125.4044 55.2408 42.3447 175.8729 126 C 4.7928 9.0395 121.0977 58.7318 32.2941 173.1540 127 C 5.1920 7.7640 118.6627 58.2784 34.8949 172.7669 128 V 4.9541 8.5040 117.6465 59.7510 34.9606 174.6414 129 S 5.0998 9.1439 118.3032 56.7653 66.6985 172.3810 130 R 5.1215 8.9228 124.0078 54.4419 33.4387 173.5363 131 L 5.2600 9.1530 127.7560 53.5903 45.3980 174.8113 132 T 5.1383 9.0237 122.7374 61.8624 70.9970 173.2844 133 L 5.2190 9.3220 126.2858 52.9561 45.7626 175.2767 134 S 5.0131 8.7188 117.4294 56.9782 64.2346 172.9875 135 V 4.4292 8.7107 128.3191 62.4185 32.2588 174.9692 136 I 4.4791 8.9950 129.2841 59.6850 39.9433 174.7389 137 N 4.9070 8.7320 124.5026 52.1461 38.7663 175.4977 138 L 3.9541 8.6433 126.0341 57.9214 41.7880 179.5818 139 L 3.8415 7.8052 119.2748 58.1613 41.8806 178.4982 140 E 3.8670 8.0722 118.7700 59.4915 29.5396 177.9903 141 H 4.1800 8.8269 118.7072 59.5167 29.8446 176.7511 142 H 4.2360 8.4902 120.1322 59.6760 29.5373 177.0166 143 H 4.0882 8.0396 116.6127 58.0732 28.5235 176.3409 144 H 4.9197 7.4555 115.0251 55.8136 29.4370 174.2974 145 H 4.5321 7.4818 116.0626 55.8316 31.9871 172.9408 146 H 4.2962 8.8129 122.8577 56.5458 31.1756 173.9639 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 L 8.18 4.07 0.00 0.94 0.64 0.71 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 3 W 6.97 4.81 0.00 3.51 3.30 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 4 K 10.31 4.71 0.00 1.88 1.86 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.60 7.81 5 K 8.07 4.73 0.00 1.80 1.74 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.72 7.81 6 T 8.37 4.14 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 1.18 0.00 0.00 7 F 7.07 4.65 0.00 2.84 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 8 T 7.83 4.59 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 1.13 0.00 0.00 9 L 8.53 3.98 0.00 1.77 1.81 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.09 3.92 0.00 2.03 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 2.37 2.40 0.00 11 N 8.31 4.34 0.00 2.91 2.83 0.00 0.00 7.11 6.37 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 12 L 8.07 3.93 0.00 1.74 1.59 0.48 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.04 4.39 0.00 2.77 2.86 0.00 0.00 7.12 7.11 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 14 Q 7.97 4.10 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 15 L 8.16 3.97 0.00 1.57 1.90 0.88 0.96 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 16 C 7.80 4.35 0.00 3.09 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 17 S 7.16 4.14 0.00 3.98 3.86 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 18 N 8.68 4.10 0.00 2.80 2.85 0.00 0.00 6.80 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 19 S 7.91 4.60 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 20 A 8.51 4.00 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 21 V 7.57 3.49 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 1.01 0.00 0.00 0.89 0.00 0.00 22 S 7.97 4.15 0.00 4.08 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 23 H 8.27 4.11 0.00 3.27 3.51 0.00 5.93 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.55 4.42 0.00 1.70 1.64 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.94 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 0.00 0.00 0.00 26 I 7.47 4.15 1.98 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 1.17 0.55 0.89 0.00 0.00 27 E 8.94 4.81 0.00 1.99 1.75 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 2.20 2.25 0.00 28 I 9.08 4.29 1.83 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 1.41 0.81 0.85 0.00 0.00 29 S 8.65 4.75 0.00 3.92 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 30 A 7.94 4.75 1.48 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 31 F 8.08 4.45 0.00 2.96 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 32 G 7.52 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.88 4.28 0.00 2.01 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 2.37 2.34 0.00 34 D 7.74 4.58 0.00 2.65 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 35 W 7.92 5.68 0.00 3.63 3.34 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 36 I 9.07 5.24 1.88 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.74 0.95 0.00 0.00 37 E 10.06 5.59 0.00 2.13 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 2.40 2.83 0.00 38 A 8.86 5.23 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 39 T 9.00 5.31 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 1.24 0.00 0.00 *41 P 0.00 4.30 0.00 2.25 2.13 0.00 3.84 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 1.85 1.95 0.00 42 V 8.49 4.23 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 0.74 0.00 0.00 0.96 0.00 0.00 43 D 8.55 4.71 0.00 2.84 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 44 H 9.25 4.11 0.00 3.27 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.11 3.92 0.00 1.78 1.86 0.00 3.12 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.02 0.00 46 T 7.64 4.44 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 1.20 0.00 0.00 *48 Q 7.59 4.22 0.00 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.96 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 49 P 0.00 4.37 0.00 2.27 2.21 0.00 3.53 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 2.24 2.06 0.00 50 F 7.02 4.85 0.00 3.18 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 51 G 7.86 3.94 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 0.00 0.00 0.00 52 V 6.86 4.65 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 0.81 0.00 0.00 0.92 0.00 0.00 53 L 8.74 3.90 0.00 1.56 1.57 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.27 4.11 0.00 3.20 3.14 0.00 5.65 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 55 G 8.94 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.13 3.71 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 0.00 0.00 0.00 57 V 7.89 3.65 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 1.02 0.00 0.00 0.77 0.00 0.00 58 S 7.98 4.14 0.00 4.19 3.94 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 59 V 7.72 3.64 2.27 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 1.11 0.00 0.00 1.05 0.00 0.00 60 A 7.96 3.99 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 61 L 8.07 3.86 0.00 1.77 1.87 0.91 0.95 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 62 A 8.05 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.58 3.90 0.00 2.02 1.94 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 2.28 2.32 0.00 64 T 7.73 3.77 4.38 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 1.15 0.00 0.00 65 I 7.88 3.73 1.84 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 1.55 1.17 0.98 0.00 0.00 66 G 8.10 3.28 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 0.00 0.00 0.00 0.00 67 S 7.91 3.97 0.00 3.82 3.83 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 68 L 7.70 3.69 0.00 1.64 1.63 0.66 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.36 3.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.28 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 71 S 8.05 4.24 0.00 4.03 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 72 L 7.83 4.38 0.00 1.86 1.63 -0.58 0.49 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 73 C 7.79 4.88 0.00 3.42 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 74 L 7.38 4.92 0.00 1.68 1.57 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.44 4.35 0.00 2.06 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 2.43 2.36 0.00 76 E 8.51 3.95 0.00 1.96 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 0.00 2.34 2.29 0.00 77 G 9.65 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 78 K 7.45 5.10 0.00 1.69 1.68 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.50 1.38 7.81 79 T 8.63 4.64 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 1.18 0.00 0.00 80 V 8.28 5.06 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 0.81 0.00 0.00 0.90 0.00 0.00 81 V 8.36 4.38 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 0.95 0.00 0.00 0.90 0.00 0.00 82 G 8.86 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 0.00 0.00 0.00 83 L 8.87 4.69 0.00 1.77 1.74 0.99 1.24 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 84 D 7.77 4.72 0.00 2.77 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 85 I 8.09 5.22 1.89 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 1.42 0.96 0.95 0.00 0.00 86 N 8.93 5.26 0.00 2.84 2.84 0.00 0.00 6.80 7.91 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 87 A 8.17 4.95 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 88 N 8.87 4.90 0.00 2.68 2.68 0.00 0.00 7.11 7.82 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 89 H 8.71 4.98 0.00 3.06 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.78 4.61 0.00 1.66 1.72 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.54 4.53 0.00 1.87 1.86 0.00 3.04 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 92 P 0.00 4.50 0.00 2.24 2.14 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 93 V 8.19 4.42 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 1.05 0.00 0.00 0.94 0.00 0.00 94 R 8.57 4.73 0.00 1.92 1.98 0.00 3.30 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 95 S 7.91 4.46 0.00 3.95 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 96 G 8.81 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 0.00 0.00 0.00 97 K 8.40 4.87 0.00 1.82 1.75 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.42 7.81 98 V 8.02 4.60 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 0.91 0.00 0.00 0.93 0.00 0.00 99 T 8.86 5.09 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 1.25 0.00 0.00 100 A 9.14 5.11 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 0.00 101 R 9.07 5.13 0.00 2.03 1.80 0.00 2.92 0.00 0.00 2.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 102 A 9.16 5.51 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 0.00 103 T 9.34 5.22 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 1.41 0.00 0.00 104 P 0.00 3.49 0.00 1.48 0.74 0.00 3.80 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 1.74 1.69 0.00 105 I 7.92 4.14 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 1.07 0.56 0.86 0.00 0.00 106 N 7.39 4.47 0.00 2.64 2.52 0.00 0.00 7.00 6.66 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 0.00 107 L 8.59 4.59 0.00 1.44 1.55 0.77 0.65 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 0.00 108 G 8.76 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 0.00 109 R 8.47 4.11 0.00 1.82 2.02 0.00 3.16 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 110 N 8.14 4.97 0.00 2.73 2.83 0.00 0.00 6.91 7.55 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 0.00 111 I 7.47 5.26 1.88 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 1.36 1.13 0.98 0.00 0.00 112 Q 9.31 5.10 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 113 V 8.75 4.92 2.02 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 1.08 0.00 0.00 0.93 0.00 0.00 114 W 9.54 5.13 0.00 3.29 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 0.00 115 Q 9.35 5.02 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 116 I 8.97 5.09 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.96 0.00 0.00 117 D 8.84 5.39 0.00 2.63 2.56 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 0.00 0.00 0.00 0.00 118 I 8.87 4.97 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 1.25 0.87 0.98 0.00 0.00 119 R 8.95 5.28 0.00 1.70 1.77 0.00 3.08 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 120 T 8.80 4.60 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 1.27 0.00 0.00 121 E 8.57 4.01 0.00 2.17 2.25 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 2.36 2.33 0.00 122 E 8.14 4.38 0.00 2.04 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 2.29 2.38 0.00 123 N 8.23 4.37 0.00 2.80 2.88 0.00 0.00 7.05 6.64 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 0.00 124 K 7.20 4.41 0.00 1.92 1.69 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.52 7.81 125 L 8.45 4.57 0.00 1.58 1.59 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 126 C 9.04 4.79 0.00 3.17 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 0.00 127 C 7.76 5.19 0.00 3.04 2.78 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 0.00 128 V 8.50 4.95 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 0.70 0.00 0.00 0.99 0.00 0.00 129 S 9.14 5.10 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 0.00 130 R 8.92 5.12 0.00 1.93 1.73 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 131 L 9.15 5.26 0.00 1.82 1.59 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.02 5.14 4.49 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 0.00 0.00 0.00 1.25 0.00 0.00 133 L 9.32 5.22 0.00 1.64 1.59 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.72 5.01 0.00 3.94 3.74 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 0.00 135 V 8.71 4.43 2.23 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 0.84 0.00 0.00 0.99 0.00 0.00 136 I 8.99 4.48 1.86 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 1.38 1.11 0.90 0.00 0.00 137 N 8.73 4.91 0.00 2.67 2.80 0.00 0.00 7.12 6.74 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 0.00 138 L 8.64 3.95 0.00 1.82 1.74 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.81 3.84 0.00 1.72 1.63 0.87 0.87 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 0.00 140 E 8.07 3.87 0.00 2.10 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 2.49 2.45 0.00 141 H 8.83 4.18 0.00 3.29 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.49 4.24 0.00 3.34 3.48 0.00 5.84 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 0.00 143 H 8.04 4.09 0.00 3.13 3.17 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 7.46 4.92 0.00 3.01 3.17 0.00 5.60 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 7.48 4.53 0.00 3.14 3.24 0.00 5.77 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 0.00 146 H 8.81 4.30 0.00 3.15 3.31 0.00 5.98 0.00 0.00 0.00 0.00 6.91 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.