NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4973 8.1693 120.6408 54.9832 42.9327 175.6449 8 H 4.8975 8.2936 115.8835 53.3564 32.1156 170.7600 9 K 4.5285 9.4553 121.7751 56.0941 33.5536 177.2047 10 E 5.0236 9.2058 123.5067 53.6769 33.5000 173.8404 11 P 4.8491 0.0000 0.0000 63.2867 32.5690 174.8030 12 A 4.8254 7.9234 120.6426 51.7017 22.9496 175.6281 13 T 4.6741 8.4607 109.0103 59.3843 72.0491 173.4210 14 L 4.2565 8.6235 126.3475 56.0164 42.3221 175.7713 15 I 4.3309 8.8495 127.3369 62.5070 38.6195 176.0813 16 K 4.5895 7.6039 121.0964 54.9530 35.5038 174.5963 17 A 4.3811 8.7715 130.4316 52.4876 18.6217 175.5236 18 I 4.3915 7.8873 119.7321 61.9042 40.2951 177.1573 19 D 4.5933 8.0848 120.9102 52.6727 41.6278 174.9369 20 G 3.7738 8.9954 106.3487 48.6883 0.0000 173.9788 21 D 4.9354 8.5247 117.6053 53.9299 42.3067 175.5307 22 T 5.3219 7.6204 109.1200 60.2308 72.6787 173.2090 23 V 4.7394 8.7067 115.3249 59.8612 36.8820 173.7806 24 K 4.9704 9.2417 126.3074 55.2576 33.5094 175.2763 25 L 5.3317 9.2882 127.0562 53.1525 46.5777 175.1629 26 M 4.9180 9.1894 121.7674 54.7189 33.7855 174.1385 27 Y 5.1289 8.9494 127.7155 56.3073 42.0546 175.5340 28 K 3.6751 9.4765 125.3777 57.4034 29.8834 175.6787 29 G 3.9375 8.4749 102.8450 46.0071 0.0000 173.7560 30 Q 4.8080 7.9513 118.4722 52.6539 32.2326 173.3369 31 P 4.8399 0.0000 0.0000 63.4982 32.1922 175.3551 32 M 4.7243 9.1929 121.5952 54.8017 36.4363 173.2477 33 T 4.7972 8.4366 122.2543 62.9093 70.5220 173.3873 34 F 5.0240 9.3944 125.7049 55.6911 41.8896 174.5308 35 R 4.9587 9.0384 124.5192 54.4441 31.5934 175.4090 36 L 4.2585 8.7190 127.7649 55.0384 42.3481 177.4767 37 L 4.0605 8.7665 123.8010 55.1830 43.1282 177.5703 38 L 4.1033 8.7559 118.4057 54.9145 39.4523 174.2167 39 V 5.2319 7.4159 109.6859 59.8395 36.0249 174.6127 40 D 5.0054 9.1737 121.1587 53.3022 44.6335 174.0394 41 T 4.9668 8.2334 122.5814 60.7844 71.1983 172.6349 42 P 4.4144 0.0000 0.0000 62.7685 32.1469 176.3685 43 E 4.0899 9.4619 121.7470 56.5655 30.2098 177.7577 *50 F 4.6003 8.5001 122.5078 58.3663 40.8605 175.4959 51 N 4.6023 8.2644 114.1447 52.7908 37.6436 174.3962 52 E 4.4277 8.0452 119.8877 54.6348 31.2371 175.4116 53 K 3.9598 8.1291 121.6073 57.9203 32.7751 176.5482 54 Y 3.5953 8.1355 121.2246 58.7919 35.9742 171.6122 55 G 3.4939 8.0285 108.3972 47.4354 0.0000 174.3858 56 P 4.2618 0.0000 0.0000 65.1044 31.3548 178.6341 57 E 3.9965 8.1028 116.6260 59.4068 28.9717 179.0324 58 A 4.0845 8.4610 121.2327 55.2655 18.3312 180.0028 59 S 4.1494 8.3576 113.3808 61.8304 63.0012 176.6929 60 A 4.0439 8.1031 123.3761 54.9897 17.9933 179.6159 61 F 4.0681 8.3470 119.3520 61.7520 39.5374 177.4356 62 T 3.7187 7.7118 114.4423 66.5058 68.2273 176.0441 63 K 3.7662 8.1707 121.8228 59.6009 32.1373 178.5777 64 K 3.8808 8.1142 118.6734 60.3849 32.2199 178.7409 65 M 3.8627 7.3063 118.8352 58.0019 31.5740 178.9053 66 V 3.7808 7.6703 112.2700 64.2383 31.6509 178.5661 67 E 4.0073 8.2534 117.6087 59.4153 29.4081 178.1376 68 N 4.4543 8.5013 114.7156 54.7607 38.9775 175.5901 69 A 4.3795 7.1646 120.8656 52.0367 18.9918 177.7352 70 K 4.1702 9.2963 121.9613 58.1167 32.9064 177.6802 71 K 4.5681 8.6883 120.2890 54.6959 34.9575 175.1904 72 I 4.9690 8.4191 127.7831 59.8525 39.6828 174.4983 73 E 4.8744 9.1935 124.6649 54.5347 34.1601 174.6723 74 V 4.4723 8.8172 122.0272 60.9589 34.6973 173.9987 75 E 5.0752 8.8532 127.9829 53.2199 32.0380 174.8839 76 F 4.6582 8.6981 125.8337 57.5376 40.1539 175.8481 77 D 4.9469 8.4576 120.7973 53.3934 43.2549 175.7846 78 K 4.3069 8.9655 117.4308 58.3459 33.1756 178.6699 79 G 4.1168 8.2712 112.0321 44.6400 0.0000 173.8510 80 Q 3.9814 8.6626 125.4591 56.5978 29.6621 176.6291 81 R 4.5473 8.4637 122.3892 56.5534 31.1876 176.0139 82 T 4.9889 7.4043 107.0631 59.7052 71.9667 173.2654 83 D 4.6685 8.5894 124.0107 51.5321 41.4591 177.1226 84 K 3.8962 8.1680 117.2427 59.1779 32.3767 176.9771 85 Y 4.5378 8.1569 116.6718 57.6317 38.0437 176.5272 86 G 3.9256 8.2698 108.3030 45.3404 0.0000 174.0684 87 R 4.2923 7.8950 119.0363 55.2732 31.8392 176.2314 88 G 3.5464 8.9493 110.9807 46.1416 0.0000 172.5121 89 L 5.3822 8.9711 124.1895 53.2847 43.3509 175.5754 90 A 4.3835 8.2149 123.1873 51.0664 23.5281 174.1203 91 Y 4.9074 8.3946 117.1241 56.6851 39.6288 175.1291 92 I 4.8316 8.2093 124.0199 59.6985 40.2960 173.9858 93 Y 5.1172 9.0907 123.7441 56.0521 41.4149 174.6998 94 A 4.8134 9.0618 125.0778 50.0443 21.4102 176.2872 95 D 4.4343 10.0400 125.3425 56.1198 38.9591 175.6097 96 G 4.0099 8.2988 105.3050 45.3814 0.0000 173.3752 97 K 4.4479 7.8717 120.4438 54.9476 33.3876 175.7179 98 M 3.7778 8.4521 123.6927 55.1829 33.2700 177.0428 99 V 3.5552 8.8398 127.0160 66.0197 31.2807 177.6315 100 N 4.3152 8.0937 115.8563 56.5220 38.3799 176.7693 101 E 3.9223 8.0534 119.5794 59.2514 29.9669 178.3421 102 A 4.1100 8.0187 120.8500 55.1714 18.3806 179.7480 103 K 3.8588 8.4010 116.9218 59.7108 32.2270 179.8024 104 V 3.8796 7.4579 118.9678 65.5256 31.2513 177.9865 105 R 4.0968 8.2194 117.8582 59.3011 29.9742 177.6916 106 Q 4.1702 7.7183 115.2047 55.5716 29.2074 176.3251 107 G 3.8882 8.1164 108.8353 46.5012 0.0000 174.3567 108 L 4.7484 7.4411 116.3972 53.3586 42.4764 176.0937 109 A 4.4917 7.3246 118.2826 51.5153 22.3433 176.0842 110 K 4.9294 8.6910 119.0831 54.2325 35.5651 176.2284 111 V 4.2366 9.2671 123.8650 63.4554 32.1772 174.9540 112 A 4.2248 9.2305 127.5347 50.9768 23.2868 175.0296 113 Y 3.3264 7.4323 114.2851 59.0390 35.1833 173.9392 114 V 3.9998 7.0685 118.0076 61.7750 31.3238 173.3925 115 Y 4.6341 8.1455 124.8613 55.6823 39.0609 175.7368 116 K 4.1303 8.7507 124.2131 58.8430 32.8535 176.4935 117 G 4.1056 9.4882 110.4813 45.2992 0.0000 173.0410 118 N 5.3267 8.0299 115.5251 52.6639 39.0920 174.0920 119 N 5.2185 7.8335 110.4184 52.8371 39.0313 176.8223 120 T 3.8669 8.7343 117.8726 67.8224 68.7336 174.9435 121 H 4.8306 8.2221 116.6341 55.8728 29.0145 176.8715 122 E 3.9808 8.4020 122.3276 59.8291 29.4185 178.9109 123 Q 3.9800 8.0666 117.4105 58.7497 28.7922 178.3723 124 L 3.9403 7.9219 120.8626 58.3573 42.1321 179.0221 125 L 4.0670 8.0644 118.7625 57.7767 41.5667 179.6806 126 R 3.9292 8.3870 118.5181 58.8564 29.8788 179.0528 127 K 3.8440 8.2052 119.3671 59.4379 32.2737 178.5513 128 A 3.9530 7.7572 120.6572 55.3002 18.2167 179.2872 129 E 3.8585 8.3036 117.4220 59.3293 29.7064 178.7537 130 A 3.8172 8.3081 121.1646 55.2236 18.2765 179.7456 131 Q 3.8108 8.2229 116.2521 58.9892 28.7770 178.5148 132 A 3.9645 7.9470 121.7930 55.1981 18.4146 179.6111 133 K 3.4896 8.0761 118.3600 59.3061 31.9059 178.9548 134 K 3.8997 7.7785 119.0908 59.1530 32.2300 177.7805 135 E 4.2474 8.2625 115.9755 55.2704 29.9659 176.1319 136 K 3.9792 7.9711 118.5775 57.2028 30.7027 175.0105 137 L 4.4267 8.2227 118.2697 55.6332 44.2635 177.6497 138 N 3.3140 8.9594 120.7645 53.6700 37.7694 177.5979 139 I 3.2334 5.4200 122.1480 63.7210 37.3765 176.8295 140 W 4.8014 7.3703 118.9956 56.4910 29.5670 176.3508 141 S 4.6993 8.2853 118.7063 58.0106 62.4425 173.9742 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 7 L 8.17 4.50 0.00 1.69 1.92 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.29 4.90 0.00 3.25 3.34 0.00 5.45 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 9 K 9.46 4.53 0.00 1.58 1.65 0.00 1.30 0.00 0.00 0.81 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.99 1.21 7.81 10 E 9.21 5.02 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 11 P 0.00 4.85 0.00 2.11 2.07 0.00 3.91 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 2.03 2.00 0.00 12 A 7.92 4.83 1.25 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 13 T 8.46 4.67 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 14 L 8.62 4.26 0.00 1.65 1.62 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.85 4.33 1.98 0.00 0.00 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 1.15 0.86 0.94 0.00 0.00 16 K 7.60 4.59 0.00 1.80 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.44 7.81 17 A 8.77 4.38 1.25 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 18 I 7.89 4.39 1.99 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 1.48 0.88 0.91 0.00 0.00 19 D 8.08 4.59 0.00 2.78 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 20 G 9.00 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 0.00 0.00 0.00 21 D 8.52 4.94 0.00 2.73 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 22 T 7.62 5.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 23 V 8.71 4.74 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 0.67 0.00 0.00 0.97 0.00 0.00 24 K 9.24 4.97 0.00 1.83 1.80 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 25 L 9.29 5.33 0.00 1.82 1.57 0.43 0.50 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 26 M 9.19 4.92 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 27 Y 8.95 5.13 0.00 3.30 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 28 K 9.48 3.68 0.00 1.40 1.61 0.00 1.41 0.00 0.00 1.49 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.06 0.46 7.81 29 G 8.47 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 30 Q 7.95 4.81 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 31 P 0.00 4.84 0.00 2.10 2.10 0.00 3.82 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 1.99 0.00 32 M 9.19 4.72 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.01 0.00 33 T 8.44 4.80 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 1.20 0.00 0.00 34 F 9.39 5.02 0.00 2.95 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 35 R 9.04 4.96 0.00 1.88 1.80 0.00 3.35 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 36 L 8.72 4.26 0.00 1.58 1.77 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.77 4.06 0.00 1.03 1.33 0.30 0.31 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 38 L 8.76 4.10 0.00 2.05 1.87 1.17 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.42 5.23 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 0.83 0.00 0.00 1.03 0.00 0.00 40 D 9.17 5.01 0.00 3.00 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 41 T 8.23 4.97 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 1.30 0.00 0.00 42 P 0.00 4.41 0.00 2.04 2.05 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 43 E 9.46 4.09 0.00 1.98 1.95 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 2.51 2.42 0.00 *50 F 8.50 4.60 0.00 3.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.26 4.60 0.00 2.90 3.04 0.00 0.00 5.97 7.66 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 52 E 8.05 4.43 0.00 2.25 1.87 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 2.25 2.22 0.00 53 K 8.13 3.96 0.00 1.54 1.61 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.33 0.92 7.81 54 Y 8.14 3.60 0.00 3.18 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 55 G 8.03 3.49 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 0.00 0.00 0.00 0.00 56 P 0.00 4.26 0.00 2.03 1.95 0.00 3.32 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.04 0.00 57 E 8.10 4.00 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 58 A 8.46 4.08 1.49 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 0.00 0.00 0.00 59 S 8.36 4.15 0.00 4.06 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 60 A 8.10 4.04 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 61 F 8.35 4.07 0.00 3.26 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 62 T 7.71 3.72 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 1.22 0.00 0.00 63 K 8.17 3.77 0.00 1.82 2.00 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.44 1.59 7.81 64 K 8.11 3.88 0.00 1.95 2.09 0.00 1.35 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.19 7.81 65 M 7.31 3.86 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.22 0.00 66 V 7.67 3.78 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 0.89 0.00 0.00 0.99 0.00 0.00 67 E 8.25 4.01 0.00 2.00 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 2.33 2.35 0.00 68 N 8.50 4.45 0.00 2.71 2.84 0.00 0.00 7.02 7.39 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 69 A 7.16 4.38 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 70 K 9.30 4.17 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.51 7.81 71 K 8.69 4.57 0.00 1.76 1.74 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 72 I 8.42 4.97 2.01 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 1.33 1.15 0.84 0.00 0.00 73 E 9.19 4.87 0.00 1.87 1.72 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 2.29 2.20 0.00 74 V 8.82 4.47 1.62 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 -0.22 0.00 0.00 0.38 0.00 0.00 75 E 8.85 5.08 0.00 2.16 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 2.41 2.25 0.00 76 F 8.70 4.66 0.00 3.03 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 77 D 8.46 4.95 0.00 2.71 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 78 K 8.97 4.31 0.00 1.94 1.90 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.58 7.81 79 G 8.27 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.66 3.98 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 81 R 8.46 4.55 0.00 1.63 1.32 0.00 2.74 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 82 T 7.40 4.99 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 1.14 0.00 0.00 83 D 8.59 4.67 0.00 2.80 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 84 K 8.17 3.90 0.00 1.55 1.70 0.00 1.14 0.00 0.00 1.41 0.00 0.00 2.81 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.66 0.21 7.81 85 Y 8.16 4.54 0.00 3.09 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 86 G 8.27 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 87 R 7.89 4.29 0.00 2.03 1.81 0.00 3.12 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 88 G 8.95 3.55 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 0.00 0.00 0.00 89 L 8.97 5.38 0.00 1.52 1.62 0.89 0.69 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 90 A 8.21 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.39 4.91 0.00 3.06 2.71 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 92 I 8.21 4.83 1.77 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 1.22 1.10 0.80 0.00 0.00 93 Y 9.09 5.12 0.00 2.85 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 94 A 9.06 4.81 1.20 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 0.00 0.00 0.00 95 D 10.04 4.43 0.00 2.74 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 96 G 8.30 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 97 K 7.87 4.45 0.00 1.88 1.76 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.52 7.81 98 M 8.45 3.78 0.00 1.82 1.37 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.32 0.00 99 V 8.84 3.56 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 0.96 0.00 0.00 0.87 0.00 0.00 100 N 8.09 4.32 0.00 2.87 2.96 0.00 0.00 6.75 7.66 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 0.00 101 E 8.05 3.92 0.00 1.96 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 0.00 2.37 2.36 0.00 102 A 8.02 4.11 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 0.00 0.00 0.00 0.00 0.00 103 K 8.40 3.86 0.00 2.07 1.94 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.78 1.86 7.81 104 V 7.46 3.88 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 1.26 0.00 0.00 1.00 0.00 0.00 105 R 8.22 4.10 0.00 1.86 2.08 0.00 3.34 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 106 Q 7.72 4.17 0.00 1.71 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.14 0.00 0.00 0.00 0.00 0.00 2.10 1.56 0.00 107 G 8.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.44 4.75 0.00 1.39 1.55 0.63 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.32 4.49 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 0.00 110 K 8.69 4.93 0.00 1.69 1.80 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.23 7.81 111 V 9.27 4.24 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 0.75 0.00 0.00 1.00 0.00 0.00 112 A 9.23 4.22 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 0.00 113 Y 7.43 3.33 0.00 3.16 3.07 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 0.00 114 V 7.07 4.00 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 0.89 0.00 0.00 0.98 0.00 0.00 115 Y 8.15 4.63 0.00 3.08 2.83 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 0.00 116 K 8.75 4.13 0.00 1.91 1.90 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.55 7.81 117 G 9.49 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 0.00 0.00 0.00 0.00 118 N 8.03 5.33 0.00 2.79 2.81 0.00 0.00 6.75 7.57 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 0.00 119 N 7.83 5.22 0.00 2.87 3.02 0.00 0.00 6.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.73 3.87 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 1.09 0.00 0.00 121 H 8.22 4.83 0.00 2.87 3.04 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.40 3.98 0.00 2.20 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 2.33 2.40 0.00 123 Q 8.07 3.98 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 L 7.92 3.94 0.00 1.73 1.80 0.89 0.52 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 0.00 125 L 8.06 4.07 0.00 1.79 1.74 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.39 3.93 0.00 1.82 1.95 0.00 3.12 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 127 K 8.21 3.84 0.00 1.81 1.88 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.42 7.81 128 A 7.76 3.95 1.35 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 0.00 129 E 8.30 3.86 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.38 0.00 130 A 8.31 3.82 1.26 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 0.00 0.00 131 Q 8.22 3.81 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 132 A 7.95 3.96 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.49 0.00 0.79 1.49 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.14 1.14 7.81 134 K 7.78 3.90 0.00 1.84 1.96 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.26 4.25 0.00 1.96 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 2.29 2.45 0.00 136 K 7.97 3.98 0.00 2.02 1.88 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.62 7.81 137 L 8.22 4.43 0.00 1.72 1.52 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.96 3.31 0.00 2.54 1.42 0.00 0.00 6.88 7.32 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 0.00 139 I 5.42 3.23 1.13 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.57 0.00 0.00 140 W 7.37 4.80 0.00 3.36 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 0.00 141 S 8.29 4.70 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.