NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3810 0.0000 0.0000 61.8971 32.3026 177.8055 3 R 4.4594 9.1929 121.1652 54.7096 32.9281 168.3974 4 V 4.6449 8.8017 118.1724 59.4728 36.1221 174.9949 5 V 4.0294 8.4441 115.1417 60.1905 32.1156 176.1097 6 P 4.4191 0.0000 0.0000 65.2820 31.3786 176.0151 7 D 4.7703 7.4496 115.2589 51.0775 41.3956 175.5201 8 Q 4.0031 8.5227 123.0529 58.5582 29.1084 177.8542 9 R 2.6387 7.6549 118.8764 59.0375 29.9035 177.9734 10 S 3.9754 8.0441 112.2398 61.4402 62.4696 175.8483 11 K 3.9263 7.9320 122.0348 59.6124 31.7127 178.4146 12 F 3.3354 8.2260 119.9753 61.0353 39.2847 176.5330 13 E 4.0138 8.3456 117.5870 58.7423 29.5363 178.1254 14 N 4.5749 8.2683 115.2983 53.5721 39.5961 175.3298 15 E 4.4063 7.7083 120.6486 55.1196 30.7721 176.9256 16 E 3.8859 8.9641 123.7312 59.4247 29.2727 178.8655 17 F 3.9195 8.0586 119.2791 61.2361 39.6125 176.8169 18 F 4.0464 7.7992 116.5388 60.4847 38.9204 177.5007 19 R 3.8925 7.6783 118.9196 58.5278 29.8001 178.9236 20 K 4.1022 7.8564 114.5687 57.7051 32.1767 177.2822 21 L 4.2562 8.2705 118.8837 53.8517 43.1578 177.6682 22 S 4.8920 7.8792 112.7010 57.8155 63.5550 173.7405 23 R 4.6283 7.3049 119.9631 53.9969 32.6709 174.7437 24 E 3.9420 8.7496 120.9027 56.6903 29.8690 176.2598 25 C 4.8864 8.6872 117.7737 55.8645 34.0570 172.9916 26 E 4.4504 8.8850 120.7345 57.0945 30.0500 175.6335 27 I 4.8895 8.7431 120.1134 59.1600 41.5413 174.3894 28 K 4.7296 8.7617 124.0995 54.9125 35.6596 174.6684 29 Y 4.8558 8.6990 128.9752 58.2570 39.7672 176.3968 30 T 4.3837 8.2773 113.9699 60.7867 69.8077 174.4876 31 G 3.4526 5.6517 110.0155 46.0290 0.0000 173.3395 32 F 3.6432 8.1675 117.6497 57.7565 36.9020 177.1141 33 R 3.9447 8.0622 121.6921 59.3401 29.9700 176.3928 34 D 4.7339 7.5672 119.4061 51.2115 38.2731 175.1641 35 R 4.4881 7.6686 123.6331 54.0215 34.3149 173.5633 36 P 4.2824 0.0000 0.0000 63.3136 32.3933 176.8257 37 H 4.0423 9.1982 122.4764 59.5461 29.1855 176.7016 38 E 4.2181 8.1556 119.9893 58.8852 29.3898 178.7246 39 E 3.8593 8.0677 120.0154 58.8956 29.7978 178.4799 40 R 3.9975 8.0488 118.1231 59.6890 30.2817 178.9209 41 Q 3.9978 8.1868 117.2711 58.8690 28.5898 178.9828 42 A 4.0511 7.6091 121.1577 55.1294 18.4696 179.5484 43 R 3.7041 8.2124 117.0724 59.5198 30.0776 178.6928 44 F 3.6381 8.3991 120.3518 61.5930 39.1794 177.3130 45 Q 3.6752 7.8351 117.3849 58.7691 28.4816 178.3973 46 N 4.2639 8.3863 117.6358 56.2473 38.5029 177.3514 47 A 4.0445 8.3639 122.6031 55.3497 18.4636 179.4850 48 C 4.0375 7.8820 115.4272 62.9888 27.8903 176.5357 49 R 4.0255 7.9616 118.6233 58.5012 29.7403 177.7744 50 D 4.7903 7.7234 116.3134 54.0619 41.3466 177.2519 51 G 3.7949 8.3606 108.9250 45.1010 0.0000 172.9042 52 R 4.8102 7.8207 114.6555 54.5130 32.7495 174.1032 53 S 4.6849 7.9302 113.1263 58.0893 67.1309 174.2175 54 E 4.9926 8.8891 121.3723 54.6583 32.6816 175.1324 55 I 4.9572 8.3447 125.3904 59.3953 40.6314 174.8282 56 A 4.9562 8.5792 128.9719 50.3733 21.8455 176.0203 57 F 4.5609 9.1944 120.3379 56.6532 39.3312 176.9725 58 V 3.5388 8.3785 124.9744 65.9517 31.6480 177.1185 59 A 4.1522 8.2998 120.8613 55.2538 16.9141 178.1591 60 T 4.3082 7.9912 109.6646 62.7376 69.4924 175.7591 61 G 3.7916 8.2982 109.3037 46.5744 0.0000 173.9545 62 T 4.3865 7.4345 115.4977 62.7411 68.9688 173.9518 63 N 5.0716 8.7603 124.3837 52.7235 40.1955 175.0267 64 L 4.8029 8.2405 119.8394 53.1462 46.4209 175.0988 65 S 4.9511 8.6371 117.6522 56.7066 63.9021 172.9919 66 L 4.5754 9.0992 127.6110 52.7792 45.0102 175.4595 67 Q 4.4389 8.1618 120.6002 53.7488 30.8577 176.7387 68 F 5.2844 8.3130 128.2854 55.2154 36.4395 175.1828 69 F 4.3384 7.5320 117.0496 54.7111 43.7613 173.1959 70 P 4.3695 0.0000 0.0000 61.8185 31.7370 177.4883 71 A 3.9240 9.0583 127.5784 56.2872 18.5139 179.8610 72 S 4.3123 8.4182 110.9879 59.1787 62.3720 177.0518 73 W 3.7595 7.5306 130.8232 57.4018 34.1373 173.8955 *78 R 4.0753 7.9471 119.8620 56.3474 30.1078 172.5079 79 Q 4.8903 8.1347 117.3777 54.4525 31.3994 173.8819 80 T 4.1747 8.7554 120.7120 62.1257 69.1232 172.5259 81 P 4.4756 0.0000 0.0000 62.2814 32.3936 176.2959 82 S 4.5150 8.3756 114.7205 57.7801 63.9270 175.2195 83 R 4.6911 8.3475 118.6447 57.7363 29.8916 177.8670 84 E 4.0663 7.8213 118.2487 58.3664 29.5734 176.5689 85 Y 4.4310 8.2559 114.9853 58.0708 40.7022 175.8732 86 V 4.3028 7.6935 119.0828 61.6963 34.1733 172.4159 87 D 5.1263 9.2135 129.0634 52.6463 42.6260 176.4265 88 L 4.5614 8.7563 125.0972 55.0448 42.9353 177.1898 89 E 4.2953 8.5646 118.3586 59.3385 30.4953 179.6893 90 R 3.3182 8.3155 117.7562 58.8659 31.3172 175.8806 91 E 4.3132 8.7411 117.4496 55.1994 31.8229 174.1019 92 A 4.1498 8.4013 126.9231 53.6060 19.2403 176.1693 93 G 4.2432 9.4090 108.9150 44.6402 0.0000 173.0921 94 K 5.3460 7.7698 116.4316 54.8000 36.4543 176.1302 95 V 4.8723 8.7133 119.1251 60.2268 34.3964 174.1627 96 Y 4.9757 9.1568 122.3619 56.9173 39.7154 174.5421 97 L 5.1067 9.5941 124.0303 52.6926 45.7111 175.3415 98 K 5.3236 8.9046 123.1027 54.7127 35.6193 174.8674 99 A 5.1862 9.6244 128.9974 50.3486 22.1651 173.6321 100 P 5.1629 0.0000 0.0000 62.8506 32.9748 175.2773 101 M 4.2723 8.1295 118.0194 55.5963 35.1243 173.8021 102 I 4.6623 8.5413 119.9927 59.5940 38.5347 175.0646 103 L 4.6469 8.8433 128.3835 54.3980 43.6519 176.1939 104 N 4.1867 9.9851 125.1917 54.5198 36.1878 175.0955 105 G 4.0424 8.2350 103.2400 45.7370 0.0000 172.9798 106 V 4.8057 7.9457 113.3054 59.1322 34.8038 174.6252 107 C 4.7948 9.9541 123.3892 60.2227 29.1304 173.3417 108 V 4.8919 8.9261 116.4809 59.5920 36.6374 174.4262 109 I 5.0928 8.9366 121.5330 59.5454 40.8415 174.6658 110 W 5.2627 9.6706 135.0000 56.2859 32.2520 175.0011 111 K 5.0923 8.3841 126.5149 54.4874 35.4806 175.7189 112 G 3.7251 7.8166 110.1895 45.6734 0.0000 171.6067 113 W 5.6056 7.7566 116.3649 54.5782 32.0122 174.5020 114 I 5.0371 8.7026 120.7721 59.4765 41.2455 174.1642 115 D 4.9196 9.3982 127.3227 54.0704 41.4131 177.1832 116 L 4.1531 9.1717 127.5530 57.3048 41.8585 178.2804 117 Q 4.2644 8.0894 118.9797 58.4663 29.6014 176.9658 118 R 4.0464 9.1813 117.1032 57.3860 30.5937 177.4705 119 L 3.4279 8.7059 116.5531 55.6504 39.4231 173.4120 120 D 5.2847 7.8621 116.9883 52.0986 45.3554 174.7818 121 G 3.2842 7.1569 104.1517 45.9421 0.0000 171.3385 122 M 4.7960 5.8600 117.8797 53.5487 36.1463 175.0497 123 G 3.8004 8.2911 107.8904 46.1846 0.0000 171.1272 124 C 5.1985 8.4223 114.2867 57.7494 33.0741 172.3283 125 L 5.3603 8.8066 118.5223 53.2841 44.0016 175.9640 126 E 4.8503 9.3063 122.1346 54.2176 33.3601 175.0110 127 F 3.7378 8.1729 126.0213 58.0966 40.2415 175.0911 128 D 4.2508 7.9667 127.2863 52.5943 40.1320 176.2616 129 E 3.5008 8.2037 123.2395 58.9947 29.5441 177.7818 130 E 3.8592 8.0294 117.0720 59.8461 29.6656 178.8572 131 R 4.0000 8.3309 117.3426 59.1093 29.6690 178.8334 132 A 4.0554 7.8805 120.6257 55.4906 18.1052 179.7407 133 Q 4.1176 7.8019 115.0921 58.4297 28.9320 177.3498 134 Q 4.2352 7.6033 115.8119 56.9167 29.3925 175.8038 135 E 4.1702 7.6703 122.6465 56.7959 29.5245 176.1810 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 P 0.00 4.38 0.00 2.05 1.75 0.00 3.59 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 1.88 2.05 0.00 3 R 9.19 4.46 0.00 1.79 1.78 0.00 3.24 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 4 V 8.80 4.64 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 0.87 0.00 0.00 0.96 0.00 0.00 5 V 8.44 4.03 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 0.87 0.00 0.00 1.03 0.00 0.00 6 P 0.00 4.42 0.00 2.19 2.21 0.00 3.73 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 2.01 1.98 0.00 7 D 7.45 4.77 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.00 0.00 2.42 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 9 R 7.65 2.64 0.00 0.99 1.63 0.00 3.07 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.20 0.00 10 S 8.04 3.98 0.00 4.01 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 11 K 7.93 3.93 0.00 1.95 1.99 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.27 0.00 0.00 3.58 0.00 0.00 0.00 0.00 1.82 1.87 7.81 12 F 8.23 3.34 0.00 2.64 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.35 4.01 0.00 1.89 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 2.37 2.55 0.00 14 N 8.27 4.57 0.00 2.73 2.86 0.00 0.00 7.05 8.35 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 15 E 7.71 4.41 0.00 2.46 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 0.00 2.37 2.46 0.00 16 E 8.96 3.89 0.00 2.01 1.96 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 2.35 2.34 0.00 17 F 8.06 3.92 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.80 4.05 0.00 3.03 2.28 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 19 R 7.68 3.89 0.00 1.76 1.90 0.00 3.18 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 20 K 7.86 4.10 0.00 1.56 1.68 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.53 7.81 21 L 8.27 4.26 0.00 1.43 1.24 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.88 4.89 0.00 4.08 3.92 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 23 R 7.30 4.63 0.00 1.73 1.82 0.00 3.21 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 24 E 8.75 3.94 0.00 1.96 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 2.30 2.36 0.00 25 C 8.69 4.89 0.00 2.98 2.94 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 26 E 8.88 4.45 0.00 2.05 1.90 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 2.35 2.27 0.00 27 I 8.74 4.89 1.80 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.39 0.67 0.00 0.00 28 K 8.76 4.73 0.00 1.78 1.61 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.68 7.81 29 Y 8.70 4.86 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 30 T 8.28 4.38 4.11 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 0.00 0.00 0.00 1.24 0.00 0.00 31 G 5.65 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.17 3.64 0.00 3.13 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 33 R 8.06 3.94 0.00 1.80 1.95 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 34 D 7.57 4.73 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.67 4.49 0.00 2.07 1.96 0.00 3.61 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 36 P 0.00 4.28 0.00 2.17 2.02 0.00 3.66 0.00 0.00 3.73 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 37 H 9.20 4.04 0.00 3.27 3.37 0.00 5.87 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 38 E 8.16 4.22 0.00 2.24 2.22 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 2.38 2.23 0.00 39 E 8.07 3.86 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 40 R 8.05 4.00 0.00 2.07 2.19 0.00 3.42 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 41 Q 8.19 4.00 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 42 A 7.61 4.05 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 43 R 8.21 3.70 0.00 1.90 1.74 0.00 2.21 0.00 0.00 2.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.00 44 F 8.40 3.64 0.00 2.30 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 45 Q 7.84 3.68 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 46 N 8.39 4.26 0.00 2.82 2.85 0.00 0.00 6.89 8.71 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 47 A 8.36 4.04 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 48 C 7.88 4.04 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.96 4.03 0.00 1.91 1.98 0.00 3.14 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 50 D 7.72 4.79 0.00 2.84 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 51 G 8.36 3.79 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 0.00 0.00 0.00 52 R 7.82 4.81 0.00 1.69 1.79 0.00 3.22 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 53 S 7.93 4.68 0.00 4.08 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 54 E 8.89 4.99 0.00 1.89 1.77 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 2.25 2.36 0.00 55 I 8.34 4.96 1.58 0.00 0.00 1.00 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 1.41 1.03 0.00 0.00 56 A 8.58 4.96 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 57 F 9.19 4.56 0.00 3.00 2.99 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 58 V 8.38 3.54 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 0.74 0.00 0.00 0.93 0.00 0.00 59 A 8.30 4.15 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 60 T 7.99 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 61 G 8.30 3.79 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 0.00 0.00 0.00 62 T 7.43 4.39 4.55 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 1.51 0.00 0.00 63 N 8.76 5.07 0.00 2.63 2.73 0.00 0.00 6.93 7.85 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 64 L 8.24 4.80 0.00 1.63 1.34 1.25 0.71 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 65 S 8.64 4.95 0.00 3.80 3.67 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 66 L 9.10 4.58 0.00 0.74 0.85 -0.80 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.16 4.44 0.00 1.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.54 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 68 F 8.31 5.28 0.00 2.57 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 69 F 7.53 4.34 0.00 2.87 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 70 P 0.00 4.37 0.00 2.20 2.04 0.00 3.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.73 0.00 71 A 9.06 3.92 1.31 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 0.00 0.00 0.00 72 S 8.42 4.31 0.00 3.64 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 73 W 7.53 3.76 0.00 3.52 2.97 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 *78 R 7.95 4.08 0.00 1.90 1.74 0.00 3.40 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 79 Q 8.13 4.89 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.03 1.74 0.00 80 T 8.76 4.17 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 81 P 0.00 4.48 0.00 2.04 1.52 0.00 3.88 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 1.94 1.83 0.00 82 S 8.38 4.51 0.00 4.12 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 83 R 8.35 4.69 0.00 1.84 2.03 0.00 3.26 0.00 0.00 4.01 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 84 E 7.82 4.07 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 85 Y 8.26 4.43 0.00 2.97 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 86 V 7.69 4.30 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 0.84 0.00 0.00 0.69 0.00 0.00 87 D 9.21 5.13 0.00 2.88 2.57 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 88 L 8.76 4.56 0.00 1.67 1.69 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.56 4.30 0.00 1.98 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 2.32 2.27 0.00 90 R 8.32 3.32 0.00 1.75 1.61 0.00 2.83 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.29 0.00 91 E 8.74 4.31 0.00 2.15 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 2.15 2.09 0.00 92 A 8.40 4.15 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 93 G 9.41 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 0.00 0.00 0.00 0.00 94 K 7.77 5.35 0.00 2.00 1.88 0.00 0.64 0.00 0.00 1.31 0.00 0.00 2.43 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.23 1.32 7.81 95 V 8.71 4.87 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 1.01 0.00 0.00 0.93 0.00 0.00 96 Y 9.16 4.98 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.59 5.11 0.00 1.93 0.87 1.01 -0.55 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 98 K 8.90 5.32 0.00 1.70 1.31 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.34 7.81 99 A 9.62 5.19 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 0.00 100 P 0.00 5.16 0.00 2.02 2.09 0.00 3.93 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 101 M 8.13 4.27 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 102 I 8.54 4.66 1.90 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 1.31 0.65 1.02 0.00 0.00 103 L 8.84 4.65 0.00 1.98 1.91 1.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.99 4.19 0.00 2.96 2.82 0.00 0.00 7.18 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 0.00 105 G 8.23 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 0.00 106 V 7.95 4.81 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 1.07 0.00 0.00 0.76 0.00 0.00 107 C 9.95 4.79 0.00 2.70 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 0.00 108 V 8.93 4.89 2.28 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 1.07 0.00 0.00 1.17 0.00 0.00 109 I 8.94 5.09 1.89 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 1.15 0.62 1.01 0.00 0.00 110 W 9.67 5.26 0.00 3.51 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 0.00 111 K 8.38 5.09 0.00 1.61 1.61 0.00 2.06 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.38 7.81 112 G 7.82 3.73 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 0.00 0.00 0.00 113 W 7.76 5.61 0.00 2.79 1.74 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 0.00 114 I 8.70 5.04 2.05 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 0.99 1.07 0.46 0.00 0.00 115 D 9.40 4.92 0.00 2.95 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.17 4.15 0.00 1.74 1.80 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.09 4.26 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.10 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 118 R 9.18 4.05 0.00 1.82 2.24 0.00 3.36 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 119 L 8.71 3.43 0.00 1.85 1.75 0.98 0.90 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 0.00 120 D 7.86 5.28 0.00 2.62 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 0.00 121 G 7.16 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 0.00 122 M 5.86 4.80 0.00 1.75 1.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.07 0.00 123 G 8.29 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 0.00 124 C 8.42 5.20 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.81 5.36 0.00 2.02 2.06 1.42 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 126 E 9.31 4.85 0.00 1.98 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 2.26 2.25 0.00 127 F 8.17 3.74 0.00 1.73 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 0.00 128 D 7.97 4.25 0.00 2.57 2.24 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 0.00 129 E 8.20 3.50 0.00 1.96 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 2.67 2.50 0.00 130 E 8.03 3.86 0.00 1.90 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 0.00 2.29 2.42 0.00 131 R 8.33 4.00 0.00 1.94 1.88 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 132 A 7.88 4.06 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 0.00 133 Q 7.80 4.12 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 134 Q 7.60 4.24 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 135 E 7.67 4.17 0.00 2.23 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 2.47 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.