NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3844 8.3349 116.7905 58.2940 64.2776 172.5993 4 L 4.2914 8.2080 122.5246 53.0890 42.5646 174.1319 5 E 4.1147 8.6989 121.3396 57.9307 31.0485 173.2357 6 K 4.6896 7.6186 117.7762 54.5138 35.4206 175.4595 7 V 4.1911 8.1485 120.5912 61.7519 32.7821 175.6378 8 L 4.4239 8.4357 125.7560 56.3945 42.5584 176.4706 9 Y 4.8043 7.5860 117.0260 56.2210 41.7358 173.7250 10 T 4.0917 7.3083 122.0404 61.2790 70.9551 173.5470 11 A 4.1440 8.0387 129.8051 51.6232 19.6957 176.2512 12 I 4.6353 8.1786 122.0185 59.6160 40.6586 174.9878 13 V 4.9219 8.4873 118.9691 59.8064 35.9737 174.9362 14 T 4.6654 9.0442 119.1444 61.7864 71.2888 172.9131 15 A 5.2937 8.7105 128.1270 50.3379 21.4098 175.7162 16 T 4.4332 8.9432 111.4080 61.4536 71.9825 173.9251 17 G 4.1760 8.7647 117.4353 46.7960 0.0000 172.6274 18 G 4.0840 7.7861 105.7648 43.6574 0.0000 176.9621 19 R 3.9684 8.6602 121.5243 58.2030 30.1434 176.5255 20 D 4.9609 7.5095 114.3905 53.1525 43.0078 176.6335 21 G 4.3889 7.5228 107.1671 46.8526 0.0000 174.6668 22 S 5.2405 9.6498 120.0509 56.6444 67.1722 172.8530 23 V 4.8961 8.8808 120.0128 61.3198 35.0434 174.0951 24 V 5.0401 8.7198 127.2404 60.9120 34.6342 175.0974 25 S 4.9258 9.4387 123.0089 57.9165 63.9883 175.5521 26 S 4.2059 9.2416 116.6792 60.5322 62.7560 174.7738 27 D 4.7263 7.9775 118.7778 52.5753 39.4118 176.6682 28 N 4.3233 8.7607 115.5332 54.2097 37.2805 175.7563 29 V 3.6460 7.9443 111.9418 63.6588 31.9849 175.9580 30 L 4.4084 8.1467 123.9593 53.8120 42.9455 175.3557 31 N 5.3168 8.7010 125.3360 51.9224 40.5144 173.3034 32 V 4.6271 9.0437 118.4374 59.2372 36.4627 174.7651 33 K 4.8958 8.5610 122.1342 55.1744 34.2957 175.2932 34 L 5.2957 9.0737 123.6563 52.9937 44.5537 175.7493 35 S 4.8244 8.6362 116.9549 56.3840 66.6646 173.6010 36 V 3.9746 8.1786 121.4266 61.5827 32.5254 173.8690 37 P 4.6801 0.0000 0.0000 62.4577 32.4005 177.5950 38 Q 4.6503 8.3252 119.7811 58.6112 28.9287 179.4027 39 G 3.8225 8.1778 105.8424 48.4794 0.0000 173.8164 40 L 4.3306 7.9350 117.2970 54.3853 41.5637 176.8208 41 G 3.7978 8.5841 106.7774 46.4447 0.0000 174.3397 42 G 4.0119 7.7031 109.7751 42.8609 0.0000 173.2225 43 P 4.4167 0.0000 0.0000 62.4797 32.0285 178.1734 44 G 3.7200 8.0375 108.5161 45.5808 0.0000 172.2921 45 G 4.2324 8.2203 105.7178 43.4513 0.0000 173.2273 46 S 4.5546 8.2910 112.8605 58.1210 63.1875 174.1929 47 G 3.9972 7.9691 108.6409 45.9136 0.0000 175.0714 48 T 4.6243 8.8040 116.9440 61.5839 69.9244 172.4079 49 N 5.0495 8.3988 116.2298 50.4556 40.2388 173.8261 50 P 4.2934 0.0000 0.0000 65.8136 31.2545 178.9115 51 E 4.1382 8.2153 117.0334 59.5053 29.0086 179.1869 52 Q 4.0341 8.7861 118.4890 58.8820 28.8858 178.7954 53 L 4.0696 8.1453 120.0964 57.6828 41.6324 179.3553 54 F 4.4728 8.7541 120.8020 61.3479 39.3563 176.8037 55 A 3.6998 8.4412 120.6369 55.1560 18.0953 179.4814 56 A 3.9959 8.2871 119.3630 55.2453 18.2646 180.2186 57 G 3.3394 7.6791 102.5061 47.9046 0.0000 174.9618 58 Y 4.0671 7.8152 122.5836 60.5648 38.9296 178.5614 59 S 4.2372 8.2822 114.8399 61.1946 63.0116 176.2021 60 A 4.1140 7.8098 120.9341 52.8502 17.7397 178.6357 *62 F 4.6493 8.0149 124.8232 59.6448 41.5925 177.0864 63 I 3.8444 8.0123 121.2141 64.5676 36.8820 178.6046 64 G 3.5734 7.8318 104.6538 47.5513 0.0000 175.3317 65 A 4.0206 8.0444 122.8206 55.0890 18.2383 179.6234 66 L 3.7849 7.7587 117.0443 57.8549 41.6827 179.6594 67 K 3.8603 8.0674 118.4186 59.6229 31.9331 178.8071 68 F 4.0447 8.6608 120.9234 61.5863 39.3270 177.5331 69 V 3.3518 8.1305 111.5291 64.0981 31.4469 178.2100 70 A 3.9082 8.3182 120.9320 55.3654 18.2078 179.0575 71 N 4.1015 8.2803 115.4199 56.8357 38.7986 176.9290 72 K 3.7677 7.6362 119.7951 58.9266 32.1992 177.5225 73 E 4.3554 7.8237 116.2348 54.9589 29.5408 176.0322 74 K 3.7603 7.4423 116.6394 57.0355 30.4930 174.8001 75 V 3.9906 7.3901 118.4242 61.5310 31.8387 175.6642 76 D 4.3700 8.5616 127.7708 54.2823 41.2894 175.9147 77 L 4.4010 8.3335 124.0419 52.8895 41.6743 175.4284 78 P 4.5688 0.0000 0.0000 63.3889 31.6201 175.8806 79 A 4.4571 7.3362 118.3927 51.0700 22.2830 176.1808 80 E 3.9130 8.8612 119.9689 56.2570 29.8905 175.5514 81 P 4.4919 0.0000 0.0000 63.4105 32.1240 175.7782 82 R 4.5683 9.1709 124.6641 54.7921 32.1696 175.7489 83 V 4.8023 8.2645 122.7140 61.1660 34.4372 173.9276 84 E 4.3968 9.1967 130.3280 54.9290 30.8716 174.7759 85 G 4.3345 8.5792 114.0441 44.4811 0.0000 172.5656 86 R 4.7711 8.8457 121.8717 54.0613 34.6753 174.4408 87 V 4.7145 8.4088 122.0288 61.2266 34.0938 174.8470 88 G 4.2754 9.0683 115.4242 44.8110 0.0000 171.9679 89 I 5.2979 8.2184 120.4652 59.1899 41.0873 174.3522 90 G 4.4032 9.0681 114.9570 44.8128 0.0000 171.1603 91 E 4.4501 8.7364 119.9337 55.8040 29.9981 176.9684 92 I 4.5113 8.1905 117.2725 57.5816 40.5283 173.1153 93 P 4.2354 0.0000 0.0000 63.9878 31.6677 174.9667 94 G 4.3643 9.1471 112.8719 44.5768 0.0000 175.8197 95 G 4.2522 7.0047 110.8700 45.9489 0.0000 174.5961 96 F 5.3574 9.1917 115.5923 55.8199 43.6176 173.8515 97 G 4.3469 9.3226 106.9949 45.4228 0.0000 171.6451 98 L 5.6489 8.5313 119.7873 53.0063 44.4890 176.5362 99 V 4.7181 8.6853 119.4972 60.1372 35.1972 174.2809 100 V 4.7350 8.9165 122.9919 61.1811 34.4395 174.0487 101 E 4.8596 9.0101 126.4065 54.5342 32.9728 174.4943 102 L 4.7252 8.8623 125.1762 52.8804 44.2655 175.7028 103 R 4.7245 8.9958 123.8626 54.7286 32.2058 175.1378 104 I 4.8674 9.0514 126.2382 59.4618 39.6030 174.6957 105 A 5.0805 9.2191 129.7138 50.2659 21.7699 175.7008 106 V 4.4386 8.1836 120.9997 60.5034 33.7606 174.2293 107 S 4.2296 8.6365 122.7482 60.1374 63.1116 175.5647 108 G 3.9129 8.9187 112.4427 45.5940 0.0000 172.7691 109 M 4.3061 7.6219 119.7460 54.1374 33.2040 176.2712 110 E 4.0287 8.7441 124.9365 57.0147 31.3484 178.6293 111 R 3.9450 8.6498 122.2442 59.3768 30.3502 179.4963 112 S 4.2003 7.9988 113.6876 61.5628 62.9377 176.1883 113 M 4.0078 7.9058 121.2967 58.1998 32.1190 177.5941 114 L 3.9441 8.1994 120.8916 58.2916 42.1449 178.6959 115 Q 3.9938 8.5826 119.7593 59.4671 28.9664 178.5204 116 T 3.8693 7.7017 116.1020 66.7893 68.5913 176.6841 117 L 4.0135 8.2591 121.2245 57.6589 41.5038 179.8384 118 V 3.7349 8.2517 118.5798 66.3381 31.3460 177.9193 119 D 4.4801 8.1533 117.2633 57.2305 40.8829 178.7550 120 K 4.1756 8.2584 118.9561 59.3100 32.0291 179.1937 121 A 3.9177 8.4881 121.4630 55.5360 18.0529 179.1764 122 H 4.6273 8.7481 117.9955 60.0364 29.9126 177.8306 123 R 4.2064 7.8994 121.8397 60.6006 29.5022 182.6632 124 V 4.3424 7.6538 109.6221 61.1110 32.4257 175.8457 125 C 4.2716 8.0736 120.9913 58.6515 31.9612 171.9426 126 P 4.1145 0.0000 0.0000 66.3171 30.7118 178.1827 127 Y 3.7893 7.8169 114.5078 60.6642 37.5875 178.3862 128 S 4.7749 7.8754 117.2882 61.1941 62.8842 176.1155 129 N 4.3041 8.3362 118.2569 56.3398 38.3651 176.9548 130 A 4.0971 8.1413 121.6303 54.4172 18.8724 178.6991 131 T 4.5515 7.5531 105.6703 60.1492 69.4232 174.1841 132 R 4.0025 7.0983 122.9410 58.4229 30.1750 176.6446 133 G 4.0336 9.0802 113.0878 45.7575 0.0000 173.0486 134 N 4.8230 8.0284 115.9873 53.4350 40.2897 174.8209 135 I 4.7840 7.3434 108.7262 58.5633 41.0836 174.1695 136 D 4.5536 8.5453 121.1443 54.2900 41.9812 175.5644 137 V 4.6411 8.4247 123.2472 61.1316 33.5756 174.6448 138 V 3.9579 9.0250 130.0485 61.9116 32.7604 174.6592 139 L 4.7306 8.3861 128.5217 53.5172 42.7542 175.8752 140 I 4.4843 9.0266 126.2151 59.2870 40.0903 174.8629 141 L 4.8638 8.5252 126.7905 53.8765 42.6895 175.9832 142 I 4.3779 8.6417 127.5080 60.0137 39.6654 176.3374 *143 D 4.4151 8.5835 123.5602 53.5315 40.3933 173.6471 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 S 8.33 4.38 0.00 3.86 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 4 L 8.21 4.29 0.00 1.68 1.57 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.70 4.11 0.00 1.99 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 0.00 2.23 1.87 0.00 6 K 7.62 4.69 0.00 1.79 1.76 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.37 7.81 7 V 8.15 4.19 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 0.83 0.00 0.00 0.89 0.00 0.00 8 L 8.44 4.42 0.00 1.72 1.75 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.59 4.80 0.00 2.88 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 10 T 7.31 4.09 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 1.06 0.00 0.00 11 A 8.04 4.14 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 12 I 8.18 4.64 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.89 0.00 0.00 13 V 8.49 4.92 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 0.75 0.00 0.00 0.94 0.00 0.00 14 T 9.04 4.67 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 15 A 8.71 5.29 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 16 T 8.94 4.43 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 17 G 8.76 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 0.00 0.00 0.00 0.00 18 G 7.79 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 19 R 8.66 3.97 0.00 1.77 1.96 0.00 3.07 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 D 7.51 4.96 0.00 2.60 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 21 G 7.52 4.39 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 0.00 0.00 0.00 22 S 9.65 5.24 0.00 3.93 3.91 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 23 V 8.88 4.90 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 1.08 0.00 0.00 0.93 0.00 0.00 24 V 8.72 5.04 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 1.06 0.00 0.00 1.00 0.00 0.00 25 S 9.44 4.93 0.00 3.97 4.01 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 26 S 9.24 4.21 0.00 3.95 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 27 D 7.98 4.73 0.00 2.79 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 28 N 8.76 4.32 0.00 2.87 3.01 0.00 0.00 6.93 8.29 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 29 V 7.94 3.65 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 0.76 0.00 0.00 1.02 0.00 0.00 30 L 8.15 4.41 0.00 1.79 1.58 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.70 5.32 0.00 2.89 2.67 0.00 0.00 7.01 7.71 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 32 V 9.04 4.63 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 0.72 0.00 0.00 1.01 0.00 0.00 33 K 8.56 4.90 0.00 1.67 1.70 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.40 7.81 34 L 9.07 5.30 0.00 1.66 1.72 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.64 4.82 0.00 3.97 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 36 V 8.18 3.97 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 0.92 0.00 0.00 0.93 0.00 0.00 37 P 0.00 4.68 0.00 2.10 1.95 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 38 Q 8.33 4.65 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.64 2.32 0.00 39 G 8.18 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 0.00 0.00 0.00 40 L 7.93 4.33 0.00 1.74 1.60 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.58 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 0.00 0.00 0.00 42 G 7.70 4.01 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 0.00 0.00 0.00 43 P 0.00 4.42 0.00 2.19 2.17 0.00 4.03 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 44 G 8.04 3.72 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 0.00 0.00 0.00 45 G 8.22 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 0.00 0.00 0.00 0.00 46 S 8.29 4.55 0.00 3.98 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 47 G 7.97 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 0.00 0.00 0.00 48 T 8.80 4.62 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 1.27 0.00 0.00 49 N 8.40 5.05 0.00 2.83 3.00 0.00 0.00 5.98 7.76 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 50 P 0.00 4.29 0.00 2.19 2.15 0.00 3.59 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 2.09 2.17 0.00 51 E 8.22 4.14 0.00 2.25 2.18 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 2.45 2.56 0.00 52 Q 8.79 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 53 L 8.15 4.07 0.00 1.89 1.77 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.75 4.47 0.00 3.05 3.25 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 55 A 8.44 3.70 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 56 A 8.29 4.00 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 57 G 7.68 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 0.00 0.00 0.00 58 Y 7.82 4.07 0.00 2.71 2.53 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 59 S 8.28 4.24 0.00 4.05 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 60 A 7.81 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.65 0.00 3.40 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 63 I 8.01 3.84 2.10 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 1.52 0.83 0.99 0.00 0.00 64 G 7.83 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 65 A 8.04 4.02 1.14 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 66 L 7.76 3.78 0.00 1.83 1.67 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.07 3.86 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 68 F 8.66 4.04 0.00 3.15 3.26 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 0.00 69 V 8.13 3.35 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 0.99 0.00 0.00 1.07 0.00 0.00 70 A 8.32 3.91 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 71 N 8.28 4.10 0.00 2.74 2.76 0.00 0.00 6.95 5.75 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 72 K 7.64 3.77 0.00 1.09 1.62 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.28 7.81 73 E 7.82 4.36 0.00 2.03 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 2.38 2.44 0.00 74 K 7.44 3.76 0.00 1.83 1.83 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.35 7.81 75 V 7.39 3.99 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 0.75 0.00 0.00 0.94 0.00 0.00 76 D 8.56 4.37 0.00 2.69 2.58 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 77 L 8.33 4.40 0.00 1.73 1.76 0.91 1.00 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 78 P 0.00 4.57 0.00 2.17 2.16 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 79 A 7.34 4.46 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 80 E 8.86 3.91 0.00 1.97 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 2.33 2.30 0.00 81 P 0.00 4.49 0.00 1.96 2.05 0.00 3.67 0.00 0.00 3.78 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 82 R 9.17 4.57 0.00 1.73 1.84 0.00 3.06 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 83 V 8.26 4.80 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 0.74 0.00 0.00 1.11 0.00 0.00 84 E 9.20 4.40 0.00 2.04 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 2.18 2.21 0.00 85 G 8.58 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 0.00 0.00 0.00 0.00 86 R 8.85 4.77 0.00 1.59 1.70 0.00 3.18 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 87 V 8.41 4.71 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 0.99 0.00 0.00 0.75 0.00 0.00 88 G 9.07 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 0.00 0.00 0.00 0.00 89 I 8.22 5.30 1.92 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 1.37 1.28 0.92 0.00 0.00 90 G 9.07 4.40 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 0.00 91 E 8.74 4.45 0.00 1.75 1.64 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 1.76 2.25 0.00 92 I 8.19 4.51 1.85 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 1.23 1.07 0.92 0.00 0.00 93 P 0.00 4.24 0.00 2.17 2.07 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 94 G 9.15 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 0.00 0.00 0.00 0.00 95 G 7.00 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 96 F 9.19 5.36 0.00 2.88 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 97 G 9.32 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 0.00 0.00 0.00 0.00 98 L 8.53 5.65 0.00 1.68 1.76 1.01 0.92 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 99 V 8.69 4.72 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 0.80 0.00 0.00 0.93 0.00 0.00 100 V 8.92 4.73 1.97 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 0.40 0.00 0.00 1.01 0.00 0.00 101 E 9.01 4.86 0.00 1.77 1.68 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 2.13 2.17 0.00 102 L 8.86 4.73 0.00 0.91 1.02 -0.41 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.00 4.72 0.00 1.75 1.80 0.00 3.17 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 104 I 9.05 4.87 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 1.03 0.00 0.00 105 A 9.22 5.08 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 0.00 106 V 8.18 4.44 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 1.01 0.00 0.00 0.95 0.00 0.00 107 S 8.64 4.23 0.00 3.90 3.81 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 0.00 108 G 8.92 3.91 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 0.00 109 M 7.62 4.31 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 110 E 8.74 4.03 0.00 2.01 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 2.41 2.36 0.00 111 R 8.65 3.95 0.00 1.82 1.98 0.00 3.44 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 112 S 8.00 4.20 0.00 4.05 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 0.00 113 M 7.91 4.01 0.00 2.26 2.09 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 2.66 2.64 0.00 114 L 8.20 3.94 0.00 1.79 1.67 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.58 3.99 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 116 T 7.70 3.87 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 117 L 8.26 4.01 0.00 1.67 1.71 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.25 3.73 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 1.26 0.00 0.00 1.13 0.00 0.00 119 D 8.15 4.48 0.00 2.87 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 0.00 120 K 8.26 4.18 0.00 2.07 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.56 7.81 121 A 8.49 3.92 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 0.00 122 H 8.75 4.63 0.00 3.56 3.73 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.90 4.21 0.00 1.97 1.82 0.00 3.31 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 124 V 7.65 4.34 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 0.99 0.00 0.00 1.02 0.00 0.00 125 C 8.07 4.27 0.00 3.28 3.15 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 0.00 126 P 0.00 4.11 0.00 1.88 1.86 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 127 Y 7.82 3.79 0.00 2.19 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 0.00 0.00 0.00 0.00 128 S 7.88 4.77 0.00 4.22 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 0.00 129 N 8.34 4.30 0.00 2.74 2.84 0.00 0.00 7.04 6.93 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 0.00 130 A 8.14 4.10 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 0.00 131 T 7.55 4.55 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 1.48 0.00 0.00 132 R 7.10 4.00 0.00 1.92 1.93 0.00 3.38 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 133 G 9.08 4.03 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 0.00 0.00 0.00 134 N 8.03 4.82 0.00 2.79 2.89 0.00 0.00 6.68 6.85 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 0.00 135 I 7.34 4.78 2.13 0.00 0.00 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 1.55 0.80 1.04 0.00 0.00 136 D 8.55 4.55 0.00 2.64 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 0.00 137 V 8.42 4.64 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 0.59 0.00 0.00 1.13 0.00 0.00 138 V 9.02 3.96 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 0.84 0.00 0.00 0.93 0.00 0.00 139 L 8.39 4.73 0.00 1.49 1.51 0.84 0.38 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 0.00 140 I 9.03 4.48 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.87 0.00 0.00 141 L 8.53 4.86 0.00 1.52 1.60 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.64 4.38 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.83 0.90 0.00 0.00 *143 D 8.58 4.42 0.00 2.44 2.48 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 * Residues marked with a * may have inaccurate shift predictions.