NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3048 8.2649 123.5806 50.7882 19.9628 176.3362 2 P 4.3413 0.0000 0.0000 61.6405 31.5762 174.9645 3 Q 4.5991 9.2359 118.8951 55.0844 30.5813 174.5378 4 N 5.0060 7.6042 115.7461 50.7597 41.6301 174.7796 5 I 3.6786 8.2942 120.1018 64.4055 37.8394 177.9368 6 T 3.8555 7.9062 116.2344 66.7433 68.1437 176.2683 7 E 3.9921 8.6140 119.4901 59.3160 29.7489 179.0984 8 L 4.1097 8.1203 119.1640 57.9432 41.6506 178.6996 9 C 4.5078 8.6743 119.0985 59.6466 43.3414 175.6021 10 S 4.0477 7.7330 114.7137 60.6633 62.6778 175.5594 11 E 4.1587 7.8538 121.2032 57.1617 29.5922 176.2446 12 Y 4.4390 7.0631 116.0485 57.2918 39.1349 174.2632 13 H 4.8971 8.8425 118.5209 55.9817 29.6490 175.3235 14 N 4.3683 9.0263 121.6153 55.1372 35.5098 173.4682 15 T 4.9180 7.9034 105.7787 60.2425 72.1918 173.1216 16 Q 4.6382 8.8793 122.3285 54.4095 33.2594 173.7598 17 I 4.4265 8.4107 125.4357 61.5378 38.1466 174.7809 18 Y 4.5566 9.3529 125.7233 56.2082 40.1047 174.2569 19 E 4.8581 8.7695 125.5763 55.0980 30.8522 174.3814 20 L 4.3856 8.8945 125.0469 55.4606 44.4646 177.8534 21 N 4.2364 7.8848 114.1486 54.4706 36.7998 174.0185 22 K 4.7852 7.4833 114.9573 54.3238 36.2709 176.0797 23 E 4.6412 8.6634 119.5460 55.3819 30.7861 176.5679 24 I 3.4420 8.3501 122.1968 61.7675 37.7037 176.0796 25 K 4.4932 8.8537 124.9801 58.2046 33.3363 177.5326 26 T 4.6134 7.6467 115.1802 61.7340 72.9241 172.4555 27 Y 4.8077 8.1384 126.0107 55.9801 41.3311 174.5270 28 T 4.4661 8.2612 123.0437 61.5251 72.3649 172.6226 29 E 4.8423 8.4999 125.6394 54.3980 32.5858 174.3347 30 S 4.8165 9.1311 121.7018 56.2364 65.1729 173.4455 31 L 4.6231 8.4977 124.3648 55.3610 40.8132 177.1992 32 A 3.9164 7.7308 123.2859 55.1838 18.6732 177.9101 *37 M 4.2617 7.7825 115.3495 55.4449 34.0056 174.4578 38 V 4.7184 8.1906 124.2966 61.1056 35.1744 173.9147 39 I 5.1932 8.5962 128.2115 59.3686 40.8252 174.3131 40 I 4.9441 8.8917 120.2984 59.2125 40.5559 174.7265 41 S 5.2262 8.8355 119.7274 56.9194 67.2832 172.9258 42 F 5.1979 8.8400 119.8263 55.2796 42.1078 176.6212 43 A 4.0329 9.0330 122.6775 55.0800 18.2217 178.2543 44 N 4.6095 8.2989 111.0174 53.1572 37.8172 176.0739 45 G 3.9289 8.3805 108.2781 44.9198 0.0000 173.9159 46 A 4.1045 8.5421 122.9348 52.5950 19.4381 176.7926 47 T 5.0856 7.8897 117.8302 61.7729 72.1424 173.4261 48 F 5.2297 9.3760 123.7571 55.7196 43.8378 173.6475 49 Q 5.1464 9.2619 118.6053 54.5316 32.5304 174.3865 50 V 4.6276 8.1584 122.5451 62.6544 32.4096 175.7086 51 E 4.5465 8.5454 119.7868 55.1253 33.4718 172.0063 *58 L 4.1305 8.0973 122.8611 53.4655 43.1256 177.1743 59 E 3.9519 8.9726 124.7893 59.6215 29.2010 178.9630 60 S 4.2453 8.0315 112.4356 60.8454 63.5235 175.4329 61 Q 4.3211 8.0490 120.6667 56.9747 28.9117 177.1135 62 K 3.9008 7.9063 121.5150 59.5433 32.1477 178.4671 63 R 3.8770 7.7657 117.7137 58.9941 30.4097 176.8497 64 P 4.2737 0.0000 0.0000 65.7149 31.3906 178.4188 65 L 4.0555 7.8760 117.4975 57.9179 41.5035 179.4777 66 E 3.9760 8.1167 118.0037 59.4055 29.3504 179.4139 67 R 3.8783 8.1392 118.6455 59.6322 30.1651 178.1734 68 M 4.0332 8.1435 117.9345 58.7266 32.2785 178.3455 69 K 4.0803 8.3036 118.6450 59.4311 32.1234 179.0460 70 D 4.3775 8.3116 119.2378 57.7243 40.7524 178.9059 71 T 3.8760 8.1477 116.2894 66.8103 68.4969 176.7067 72 L 4.0947 8.1900 120.8488 57.6979 41.5902 179.5859 73 R 3.6492 8.3127 118.5629 59.2699 30.0411 178.3978 74 A 3.9380 8.2628 120.5260 55.1140 18.3302 179.4385 75 A 3.9897 8.2933 119.3661 55.3277 18.2179 179.1689 76 Y 3.9238 7.9119 116.9631 61.0454 39.0185 177.9711 77 F 3.9129 8.4421 117.5468 60.4640 39.1395 177.1682 78 T 4.2806 7.9946 107.1911 61.6753 69.0878 175.8569 79 G 3.7959 7.5180 109.0692 45.8372 0.0000 173.4072 80 I 3.9722 7.5084 120.3118 60.3516 37.7209 176.1721 81 K 4.3490 8.4886 125.0334 56.3516 32.9374 176.4684 82 V 3.9299 8.6944 123.6495 62.7842 32.4804 176.1222 83 S 4.5280 9.1675 123.9448 59.8362 62.9763 173.5935 84 K 5.1223 7.7606 117.3419 54.6069 36.9183 174.6475 85 L 5.0662 9.0082 121.7175 53.0826 45.8711 174.6236 86 C 5.1575 8.8093 122.9959 55.1156 46.3786 172.8825 87 V 4.8670 8.5332 118.9814 59.1371 35.3644 174.8869 88 W 4.9180 9.1461 124.6272 56.6124 29.4790 176.9491 89 N 4.6595 8.7864 121.7198 55.1259 38.1352 176.8344 90 N 4.5014 8.4649 116.3735 56.0996 39.1733 176.0676 91 K 4.0455 8.0046 117.0404 56.8854 32.7210 175.7773 92 T 4.4360 8.0943 115.3598 59.2650 69.7488 171.8823 93 P 4.4123 0.0000 0.0000 62.7658 32.1828 175.7491 94 N 4.8755 8.8765 117.7351 53.3727 39.7159 174.2330 95 S 5.9434 8.5726 116.4272 56.4431 66.0162 172.8998 96 I 4.6199 8.4391 122.2958 60.4525 37.4452 175.4067 97 A 4.1009 8.4989 129.0009 53.1077 19.8229 176.7220 98 A 4.5325 7.1502 114.5232 51.1758 22.5897 175.1982 99 I 4.9362 8.1738 118.6675 59.2026 41.7447 173.9348 100 E 4.7139 9.2330 128.3493 54.3554 32.5355 174.1964 101 L 5.0366 8.5232 126.2019 53.2219 43.9196 175.7557 102 S 4.5830 8.4748 115.7340 57.3083 65.4866 173.5549 103 N 4.5659 8.6035 120.9244 53.4322 38.5652 175.0746 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.30 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 2 P 0.00 4.34 0.00 2.12 1.96 0.00 3.60 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 2.20 2.10 0.00 3 Q 9.24 4.60 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 4 N 7.60 5.01 0.00 2.95 2.90 0.00 0.00 5.82 7.79 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 5 I 8.29 3.68 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.89 0.00 0.00 6 T 7.91 3.86 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 1.20 0.00 0.00 7 E 8.61 3.99 0.00 2.10 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 0.00 2.34 2.41 0.00 8 L 8.12 4.11 0.00 1.90 1.82 0.95 0.67 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 9 C 8.67 4.51 0.00 3.18 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 10 S 7.73 4.05 0.00 4.04 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 11 E 7.85 4.16 0.00 1.71 1.83 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 2.25 2.49 0.00 12 Y 7.06 4.44 0.00 2.83 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 13 H 8.84 4.90 0.00 3.34 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 9.03 4.37 0.00 3.18 3.09 0.00 0.00 6.67 7.05 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 15 T 7.90 4.92 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 0.44 0.00 0.00 16 Q 8.88 4.64 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 17 I 8.41 4.43 1.85 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 0.91 0.89 0.00 0.00 18 Y 9.35 4.56 0.00 2.70 2.86 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 19 E 8.77 4.86 0.00 1.93 1.79 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 2.18 2.49 0.00 20 L 8.89 4.39 0.00 1.32 1.25 0.26 0.85 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 21 N 7.88 4.24 0.00 2.89 2.84 0.00 0.00 6.86 6.96 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 22 K 7.48 4.79 0.00 1.71 1.84 0.00 1.54 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.57 7.81 23 E 8.66 4.64 0.00 2.11 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 0.00 2.32 2.37 0.00 24 I 8.35 3.44 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.95 0.00 0.00 25 K 8.85 4.49 0.00 1.72 1.90 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.68 7.81 26 T 7.65 4.61 4.16 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 0.00 0.00 0.00 1.12 0.00 0.00 27 Y 8.14 4.81 0.00 2.40 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 0.00 0.00 0.00 28 T 8.26 4.47 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 1.08 0.00 0.00 29 E 8.50 4.84 0.00 1.66 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 2.18 2.28 0.00 30 S 9.13 4.82 0.00 3.79 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.50 4.62 0.00 1.74 1.71 0.92 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 32 A 7.73 3.92 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 *37 M 7.78 4.26 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 38 V 8.19 4.72 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 0.90 0.00 0.00 0.92 0.00 0.00 39 I 8.60 5.19 1.73 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 1.22 0.59 0.87 0.00 0.00 40 I 8.89 4.94 1.69 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.99 0.00 0.00 41 S 8.84 5.23 0.00 3.66 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 42 F 8.84 5.20 0.00 3.29 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 43 A 9.03 4.03 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 44 N 8.30 4.61 0.00 2.89 3.00 0.00 0.00 6.26 7.00 0.00 0.00 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 8.38 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 46 A 8.54 4.10 1.45 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 47 T 7.89 5.09 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 1.18 0.00 0.00 48 F 9.38 5.23 0.00 2.94 2.88 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 49 Q 9.26 5.15 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 50 V 8.16 4.63 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 0.99 0.00 0.00 51 E 8.55 4.55 0.00 1.96 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 2.04 1.79 0.00 *58 L 8.10 4.13 0.00 1.92 1.68 0.91 0.84 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 59 E 8.97 3.95 0.00 2.03 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 2.39 2.39 0.00 60 S 8.03 4.25 0.00 4.08 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 61 Q 8.05 4.32 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 62 K 7.91 3.90 0.00 1.90 1.85 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 63 R 7.77 3.88 0.00 1.97 1.92 0.00 3.30 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 64 P 0.00 4.27 0.00 2.25 2.14 0.00 3.78 0.00 0.00 3.79 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 65 L 7.88 4.06 0.00 1.85 1.76 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.12 3.98 0.00 2.21 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 2.62 2.48 0.00 67 R 8.14 3.88 0.00 1.90 2.09 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.14 4.03 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 69 K 8.30 4.08 0.00 1.90 1.93 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.72 7.81 70 D 8.31 4.38 0.00 2.90 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 71 T 8.15 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 72 L 8.19 4.09 0.00 1.98 1.88 1.00 0.75 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 73 R 8.31 3.65 0.00 1.91 2.03 0.00 2.95 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.30 0.00 74 A 8.26 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.29 3.99 1.45 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 76 Y 7.91 3.92 0.00 3.01 3.11 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 77 F 8.44 3.91 0.00 2.93 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.99 4.28 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 1.29 0.00 0.00 79 G 7.52 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 80 I 7.51 3.97 1.89 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 1.42 0.86 0.93 0.00 0.00 81 K 8.49 4.35 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.45 7.81 82 V 8.69 3.93 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 0.91 0.00 0.00 1.14 0.00 0.00 83 S 9.17 4.53 0.00 3.99 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 84 K 7.76 5.12 0.00 1.64 1.57 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 85 L 9.01 5.07 0.00 1.07 1.14 0.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.81 5.16 0.00 2.86 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 87 V 8.53 4.87 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.94 0.00 0.00 88 W 9.15 4.92 0.00 3.33 2.96 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 89 N 8.79 4.66 0.00 2.75 2.98 0.00 0.00 7.12 7.88 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 90 N 8.46 4.50 0.00 2.75 2.89 0.00 0.00 6.98 7.61 0.00 0.00 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 K 8.00 4.05 0.00 2.05 1.75 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.83 1.48 7.81 92 T 8.09 4.44 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 93 P 0.00 4.41 0.00 2.03 1.93 0.00 3.80 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 1.96 1.96 0.00 94 N 8.88 4.88 0.00 2.75 2.96 0.00 0.00 7.27 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 95 S 8.57 5.94 0.00 4.11 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 96 I 8.44 4.62 1.90 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 1.16 0.81 0.88 0.00 0.00 97 A 8.50 4.10 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.15 4.53 1.13 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 0.00 0.00 99 I 8.17 4.94 1.84 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 1.23 0.97 0.91 0.00 0.00 100 E 9.23 4.71 0.00 2.00 1.70 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 2.17 2.24 0.00 101 L 8.52 5.04 0.00 1.55 1.56 0.94 0.86 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 0.00 102 S 8.47 4.58 0.00 3.77 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.60 4.57 0.00 2.72 2.69 0.00 0.00 6.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.