NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6873 8.3644 120.3212 52.4138 41.9793 175.5031 5 V 4.1224 7.7812 114.3586 62.4824 35.3669 176.3384 6 L 4.1459 9.0471 120.7911 57.6473 42.3611 178.8789 7 K 3.9867 7.9374 117.1010 59.6392 31.9753 179.1109 8 N 4.3957 8.1439 116.1170 56.3530 38.4640 177.4033 9 I 3.7893 7.7569 120.5274 64.2256 37.1484 178.1960 10 A 4.0251 8.6005 121.8837 55.5239 18.2313 179.3062 11 D 4.3534 8.5167 117.6383 58.0352 40.9022 179.4111 12 T 3.9587 8.1406 116.1874 66.3901 68.1881 176.8727 13 L 4.1253 8.0396 120.3926 58.0949 42.2040 179.0548 14 E 4.0276 8.6178 118.6008 59.1773 29.0898 179.2348 15 A 4.0478 8.0095 120.3572 54.9981 18.5510 179.1522 16 R 4.4452 7.5424 111.5193 56.3867 30.0068 177.7764 17 R 3.4989 7.4114 120.5435 59.1776 30.8578 177.3403 18 E 4.6216 7.9148 114.2099 55.3869 30.0771 174.5147 19 A 4.5869 7.4769 121.9475 50.6015 22.1199 176.7138 20 A 4.2265 8.2911 118.4695 51.4884 19.0993 177.3258 21 P 4.2300 0.0000 0.0000 65.4421 31.4850 177.5357 22 Q 4.3334 7.8511 114.2847 56.3414 29.5286 176.5273 23 S 4.2240 7.9358 113.3410 60.8746 62.6338 173.5913 24 S 4.6292 7.4975 111.3277 56.2510 65.6436 173.6398 25 Y 4.1549 8.7896 120.8953 60.9049 38.5659 177.4731 26 V 3.1606 7.9733 118.4656 65.8899 31.5243 177.6908 27 A 4.2219 7.9594 120.3150 55.0542 18.3291 179.5650 28 S 4.1812 7.8685 112.4377 61.4871 62.9917 176.6347 29 L 3.7640 7.6247 122.4759 57.6517 41.1469 179.2764 30 F 4.5242 7.4738 116.1926 61.3110 38.9633 177.1070 31 H 4.4431 8.2186 116.7576 59.1694 29.7433 177.2155 32 K 4.1272 7.9760 119.8494 58.8493 32.2073 175.7539 33 G 3.7185 8.2030 103.7413 43.7213 0.0000 174.0965 34 E 3.1638 8.8280 118.3359 59.2345 29.2735 178.2387 35 D 4.2823 8.0315 117.9122 57.5836 41.0277 178.6294 36 A 3.9680 7.9329 120.3825 55.2428 18.2610 179.6580 37 I 3.7168 7.2775 118.3700 64.4465 37.1967 178.6151 38 L 4.0134 8.1049 120.1017 57.4380 41.2685 179.6785 39 K 3.9073 8.3331 119.0334 59.3828 31.9527 179.1976 40 K 3.8609 7.5873 118.3946 59.3516 32.0715 178.8715 41 V 3.5730 7.8018 118.2980 66.0476 31.4772 177.8477 42 A 3.9835 8.1273 120.4586 55.0017 18.2063 179.0334 43 E 3.8623 8.4531 118.1060 59.7856 29.7667 179.1053 44 E 4.0041 8.5161 118.3379 59.0815 29.5586 179.3583 45 A 3.9910 8.0202 120.9383 55.1563 18.2668 179.5704 46 A 3.9766 7.9003 118.1327 55.2646 18.5138 179.2307 47 E 4.0411 8.2011 117.0381 59.4547 29.9565 178.8612 48 T 4.0590 7.8530 116.1482 66.3916 68.4823 176.7543 49 L 4.0284 7.6282 115.9313 55.8844 41.0892 178.6333 *51 A 4.2971 7.8708 124.1290 52.3495 20.7006 179.7131 52 S 4.0961 8.1985 110.3367 61.3051 62.7049 176.2793 53 K 3.9395 8.0503 120.3683 59.5863 31.9067 177.1838 54 D 4.5069 8.0762 114.9889 54.1548 40.9373 176.3084 55 K 3.8625 7.7913 117.1018 57.3607 30.6926 176.8913 56 D 4.6453 7.4993 120.3517 52.8309 38.0140 176.2458 57 K 3.8510 8.1817 123.4503 59.2650 32.2924 178.2667 58 L 4.0135 7.8162 118.6992 57.8682 41.6167 178.6795 59 H 4.2634 8.2382 118.3126 58.7455 29.7336 176.9554 60 L 3.8484 8.0395 122.4317 58.3214 41.9380 179.2265 61 V 3.5256 7.4236 117.9072 66.0093 31.3965 178.1820 62 R 3.8641 7.7307 117.8634 59.1208 29.8886 178.9913 63 E 3.8774 8.3143 118.5915 59.4501 29.4925 179.3159 64 V 3.6852 8.1108 118.4409 66.0331 31.3668 177.9841 65 A 3.6839 7.8185 120.4758 55.0545 18.2411 179.1315 66 D 4.4912 8.0699 116.6265 57.1975 41.1280 178.2406 67 L 4.0791 8.5357 121.4151 58.0601 42.0233 178.7361 68 W 4.3766 8.5844 118.0961 59.8749 29.1375 177.9259 69 F 4.3956 8.6934 119.7130 61.9927 39.1337 176.8429 70 H 4.1917 8.6441 115.4043 58.5981 28.2803 178.1165 71 T 4.1915 7.9571 115.3895 64.2898 67.9632 176.1427 *73 V 3.8329 7.7411 123.1805 62.8574 33.5771 177.2690 74 L 3.9359 8.0881 121.0984 58.2003 41.8471 178.6528 75 L 4.0542 8.2034 119.2552 58.5481 41.6513 179.8691 76 T 4.0373 8.0140 114.7787 66.8347 68.1890 175.9085 77 Y 4.0844 8.1275 120.7496 60.2698 38.7822 176.6329 78 H 4.8451 7.8487 114.9809 54.8191 29.3048 175.1891 79 G 3.8788 7.6908 107.4338 46.5392 0.0000 173.7966 80 L 4.8904 7.7604 120.5814 53.0716 44.7711 175.6134 81 R 4.5932 9.1103 113.1904 54.3782 32.3728 174.6122 82 P 4.0942 0.0000 0.0000 65.8377 31.2199 178.1868 83 E 3.9225 8.2770 115.5468 59.7503 29.3503 178.8422 84 D 4.5043 8.1726 118.2083 57.5307 41.1834 178.8380 85 V 3.7266 7.5644 118.0583 65.7584 31.4823 178.2638 86 V 3.8207 7.7237 114.3709 63.9589 30.5839 176.8682 *88 E 4.2082 8.1309 120.0992 55.7732 31.3125 177.8655 89 L 4.0592 8.0373 118.9269 57.9098 42.0116 178.8694 90 H 4.3116 8.4515 117.8058 59.1418 29.9450 176.2572 91 R 3.9335 8.0556 117.9662 59.1983 30.1298 176.8420 92 R 3.8390 7.3029 115.2508 57.9949 29.5989 176.6692 93 E 3.9591 6.4269 124.5741 58.7553 30.2046 177.6325 94 G 4.0459 8.7974 112.3411 45.6584 0.0000 172.4310 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 4 D 8.36 4.69 0.00 2.83 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 5 V 7.78 4.12 2.14 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 1.04 0.00 0.00 0.96 0.00 0.00 6 L 9.05 4.15 0.00 1.79 1.78 1.05 1.18 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 7 K 7.94 3.99 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.77 7.81 8 N 8.14 4.40 0.00 2.90 2.90 0.00 0.00 7.12 7.38 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 9 I 7.76 3.79 2.15 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 1.57 1.02 1.18 0.00 0.00 10 A 8.60 4.03 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 11 D 8.52 4.35 0.00 2.87 2.77 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 12 T 8.14 3.96 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 1.29 0.00 0.00 13 L 8.04 4.13 0.00 1.89 1.94 0.84 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.62 4.03 0.00 2.13 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 2.31 2.55 0.00 15 A 8.01 4.05 1.39 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 16 R 7.54 4.45 0.00 2.10 2.09 0.00 3.22 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 17 R 7.41 3.50 0.00 1.71 1.96 0.00 2.21 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 18 E 7.91 4.62 0.00 1.90 1.84 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 2.12 2.11 0.00 19 A 7.48 4.59 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 20 A 8.29 4.23 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.23 0.00 1.98 1.99 0.00 3.63 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 1.82 1.88 0.00 22 Q 7.85 4.33 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 23 S 7.94 4.22 0.00 3.82 4.15 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 24 S 7.50 4.63 0.00 3.91 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 25 Y 8.79 4.15 0.00 3.08 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 26 V 7.97 3.16 2.14 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 0.83 0.00 0.00 1.18 0.00 0.00 27 A 7.96 4.22 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 28 S 7.87 4.18 0.00 4.11 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 29 L 7.62 3.76 0.00 1.37 1.30 0.56 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.47 4.52 0.00 3.26 3.05 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 31 H 8.22 4.44 0.00 3.30 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.98 4.13 0.00 1.90 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.66 7.81 33 G 8.20 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 34 E 8.83 3.16 0.00 1.83 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 2.28 2.27 0.00 35 D 8.03 4.28 0.00 2.76 2.68 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 0.00 0.00 0.00 36 A 7.93 3.97 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 I 7.28 3.72 1.78 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.79 0.00 0.00 38 L 8.10 4.01 0.00 1.77 1.69 0.90 1.22 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 39 K 8.33 3.91 0.00 1.89 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 40 K 7.59 3.86 0.00 1.86 1.72 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.07 1.20 7.81 41 V 7.80 3.57 2.21 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 0.98 0.00 0.00 1.02 0.00 0.00 42 A 8.13 3.98 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 43 E 8.45 3.86 0.00 2.14 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 2.31 2.36 0.00 44 E 8.52 4.00 0.00 2.06 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 0.00 2.59 2.74 0.00 45 A 8.02 3.99 1.43 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 0.00 0.00 0.00 46 A 7.90 3.98 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 47 E 8.20 4.04 0.00 2.12 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 0.00 2.36 2.38 0.00 48 T 7.85 4.06 4.50 0.00 0.00 0.00 0.00 0.00 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 49 L 7.63 4.03 0.00 1.93 1.69 1.00 0.54 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 *51 A 7.87 4.30 1.39 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 52 S 8.20 4.10 0.00 3.88 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 53 K 8.05 3.94 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.08 4.51 0.00 2.72 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 55 K 7.79 3.86 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.50 4.65 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 3.85 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.74 7.81 58 L 7.82 4.01 0.00 1.72 1.70 0.91 1.01 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 59 H 8.24 4.26 0.00 3.39 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.04 3.85 0.00 1.78 1.81 0.90 0.72 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 61 V 7.42 3.53 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 0.86 0.00 0.00 0.91 0.00 0.00 62 R 7.73 3.86 0.00 1.94 1.92 0.00 3.16 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 1.61 1.91 0.00 63 E 8.31 3.88 0.00 1.99 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 2.21 2.22 0.00 64 V 8.11 3.69 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 0.76 0.00 0.00 0.93 0.00 0.00 65 A 7.82 3.68 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 66 D 8.07 4.49 0.00 3.03 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 67 L 8.54 4.08 0.00 1.93 1.97 1.05 1.19 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 68 W 8.58 4.38 0.00 3.41 3.38 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 69 F 8.69 4.40 0.00 3.08 3.36 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 70 H 8.64 4.19 0.00 3.37 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.96 4.19 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 1.14 0.00 0.00 *73 V 7.74 3.83 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 0.38 0.00 0.00 0.15 0.00 0.00 74 L 8.09 3.94 0.00 1.87 1.90 0.91 0.88 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 75 L 8.20 4.05 0.00 1.72 1.74 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.01 4.04 4.65 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 1.23 0.00 0.00 77 Y 8.13 4.08 0.00 3.29 3.22 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 78 H 7.85 4.85 0.00 3.36 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.69 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 80 L 7.76 4.89 0.00 1.73 1.76 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 81 R 9.11 4.59 0.00 1.94 1.98 0.00 3.03 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 82 P 0.00 4.09 0.00 2.20 2.14 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 83 E 8.28 3.92 0.00 1.91 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 0.00 2.33 2.50 0.00 84 D 8.17 4.50 0.00 2.71 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 85 V 7.56 3.73 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 0.93 0.00 0.00 0.86 0.00 0.00 86 V 7.72 3.82 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 1.01 0.00 0.00 0.94 0.00 0.00 *88 E 8.13 4.21 0.00 2.15 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 2.24 2.37 0.00 89 L 8.04 4.06 0.00 2.02 1.68 0.79 0.87 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 90 H 8.45 4.31 0.00 3.07 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.06 3.93 0.00 1.77 2.06 0.00 3.26 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 1.58 1.63 0.00 92 R 7.30 3.84 0.00 2.04 1.74 0.00 3.20 0.00 0.00 3.21 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 93 E 6.43 3.96 0.00 2.00 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 2.36 2.31 0.00 94 G 8.80 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 * Residues marked with a * may have inaccurate shift predictions.