NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 I 3.7549 8.0244 114.2049 60.7790 37.6439 174.3308 9 N 4.6868 8.1648 124.7593 51.7685 41.1304 172.1387 10 H 4.7844 9.0992 120.7541 54.1535 33.8472 172.0048 11 P 3.9503 0.0000 0.0000 65.7802 31.3215 176.9021 12 Y 4.2942 8.1924 113.2348 58.5682 38.5074 173.8960 13 Y 5.0207 7.8710 122.7492 56.8665 39.9688 174.6241 14 F 3.7827 8.4675 125.0825 53.7774 42.6564 173.6752 15 P 4.6014 0.0000 0.0000 61.8235 28.8942 175.5068 16 F 5.2618 7.4173 120.4262 56.6768 41.9078 176.3668 17 N 5.0560 8.9144 121.7731 51.9475 40.2986 176.1400 18 G 3.6819 8.5605 105.8122 47.9269 0.0000 175.6573 19 K 3.8369 7.9850 121.2306 59.4240 32.4582 178.8359 20 Q 3.6732 8.6594 118.5264 58.7360 28.2852 178.6539 21 A 4.0301 7.5097 120.5194 55.1496 18.6841 179.2209 22 E 3.1497 7.6668 116.5547 59.3322 28.8919 179.3093 23 D 4.1981 7.7622 118.8572 57.5312 40.6398 178.3133 24 Y 3.9668 8.0896 119.1116 60.1218 38.9407 177.3123 25 L 4.1854 7.9077 118.9574 55.8920 41.8347 178.7978 26 R 4.0890 7.3611 117.7216 59.1047 30.1992 177.5594 27 S 4.3719 7.7161 109.0635 58.4397 63.6919 173.8876 28 K 4.3046 7.6449 121.6698 55.2954 33.7226 175.6994 29 E 4.4581 8.3425 118.7734 55.2509 30.4805 176.7402 30 R 4.2677 8.3099 119.9919 58.2310 30.4781 177.5062 31 G 4.3065 9.5859 111.6500 45.2902 0.0000 173.6472 32 D 5.0614 8.1180 119.9608 54.8787 42.0449 175.3025 33 F 5.7620 8.3029 114.2913 56.3902 40.9743 173.5382 34 V 4.9277 9.2643 112.2778 59.8472 36.4269 174.7002 35 I 4.8244 9.0386 125.0010 60.8966 38.6737 175.4145 36 R 5.5997 9.3957 122.6759 53.7235 33.8407 173.5841 37 Q 4.7490 8.4040 118.2005 55.8478 29.0686 176.3022 38 S 4.3667 8.9658 119.7446 57.8840 62.6625 174.3372 39 S 4.1907 8.9045 121.9533 61.3922 62.6664 175.7556 40 R 4.1339 7.4953 115.0963 57.8294 29.8055 177.4209 *43 D 4.4653 7.2091 118.7613 53.5038 43.2745 175.4060 44 H 4.5605 8.0438 116.3709 56.0752 30.9548 174.6224 45 L 5.4337 8.5710 120.5126 53.2494 45.5089 174.8372 46 A 5.0781 9.1375 121.6740 50.8706 23.7430 174.7681 47 I 4.9861 9.2473 119.6484 59.9447 40.2190 175.3121 48 T 5.3887 9.1496 123.4865 61.5619 71.4176 173.2583 49 W 5.9066 9.0467 122.3533 54.7977 32.6768 173.7840 50 K 4.6672 9.4289 123.0578 55.5308 32.4325 177.1037 51 L 3.9479 8.5343 128.7016 57.0023 42.2329 175.8904 52 D 4.2945 7.1166 115.1534 52.6210 43.8859 172.7849 53 K 3.7556 8.5423 121.3574 57.6005 31.7599 175.4298 54 D 4.2986 8.5114 127.0265 55.1610 39.7442 173.0401 55 L 4.4566 7.1551 119.0994 52.9724 44.9833 174.9952 56 F 5.2385 8.6368 123.9708 55.7026 42.8083 174.4325 57 Q 4.6616 8.6147 120.2399 54.3703 32.2260 174.3673 58 H 5.4804 8.7460 118.0483 54.1833 32.1435 172.9894 59 V 4.7197 9.1930 123.6427 60.7895 34.7273 174.3024 60 D 4.8978 8.8893 126.8450 53.4031 40.4964 175.3098 61 I 4.7099 8.3477 122.5345 59.8423 39.0484 175.0719 62 Q 4.8228 8.6960 125.0965 54.2265 32.1145 175.1190 63 E 4.8497 8.6118 121.4281 54.9839 31.9383 175.0419 *65 E 3.9265 8.4132 120.4687 55.8732 30.4015 175.3738 66 K 4.0519 8.6252 125.2909 55.8021 31.6740 176.2979 67 E 3.7725 8.3860 123.9270 57.3385 29.4422 176.4470 68 N 4.2861 8.7880 121.2084 54.7286 42.0007 173.8182 69 P 3.6243 0.0000 0.0000 64.8328 32.3119 176.4747 *73 G 3.8212 7.4495 103.5472 45.3866 0.0000 171.2083 74 K 4.9089 8.2350 116.7151 54.4808 36.1040 176.7314 75 V 4.4769 8.1587 121.0094 60.0523 34.4445 174.5976 76 L 4.7617 8.5333 124.2148 53.8564 43.4367 175.7657 77 V 4.9300 8.7457 123.2531 61.1795 34.4107 174.7410 78 V 4.3966 8.4658 125.9953 60.7608 30.9811 174.0096 79 E 3.7233 8.7890 123.2814 56.7849 27.4083 176.0227 80 G 3.8840 8.1920 103.6854 46.2298 0.0000 171.3885 81 Q 4.3778 7.4318 119.5189 53.7612 30.5227 174.7482 82 R 4.7384 8.0713 122.1421 54.7310 31.6960 175.3713 83 Y 4.8539 8.8112 120.4657 56.6355 41.1506 176.1486 84 H 4.6164 8.9281 118.6006 56.6783 29.6703 174.7509 85 D 4.8237 7.6648 117.4382 51.2458 44.4787 175.4938 86 L 4.1364 8.4717 124.4291 58.1165 42.0231 178.8218 87 D 4.4215 8.8444 119.5450 57.5383 40.8437 178.7433 88 Q 4.0220 8.0933 117.9570 58.9273 28.7262 178.8974 89 I 3.1751 7.0265 121.1905 64.0295 37.0185 178.3045 90 I 3.5125 7.3855 120.2342 64.4103 37.0023 178.1792 91 V 3.5396 7.7530 118.9051 66.5004 31.1892 177.8403 92 E 3.8214 7.8835 117.2810 59.7381 29.3236 179.1342 93 Y 3.1899 7.7222 116.4466 60.3007 37.6590 178.1945 94 L 4.1974 8.1096 120.6669 57.9615 41.6563 179.5121 95 Q 3.9652 8.5280 118.4205 58.6503 28.5574 178.2999 96 N 4.1123 8.1105 118.4457 56.3745 38.9726 176.8427 97 K 3.9914 8.0422 120.9023 59.6714 32.0970 178.6340 98 I 3.6976 7.9347 120.0766 64.5525 36.8852 178.1764 99 R 3.8835 8.0959 118.7657 59.6363 29.9622 178.4003 100 L 4.1762 8.0243 118.7930 57.5955 41.6334 179.0302 101 L 4.2147 7.8636 116.5979 57.3886 40.3498 177.5181 102 N 4.8117 7.5391 116.0580 53.1584 39.3034 174.1743 103 E 4.2237 8.3206 127.4490 56.1664 29.7559 175.2259 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 8 I 8.02 3.75 1.69 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 1.15 0.99 0.40 0.00 0.00 9 N 8.16 4.69 0.00 2.73 2.70 0.00 0.00 6.95 7.01 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 10 H 9.10 4.78 0.00 3.23 3.14 0.00 5.94 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 3.95 0.00 1.94 1.96 0.00 3.28 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 12 Y 8.19 4.29 0.00 3.26 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 13 Y 7.87 5.02 0.00 2.94 2.98 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 14 F 8.47 3.78 0.00 1.77 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 15 P 0.00 4.60 0.00 2.05 2.04 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 16 F 7.42 5.26 0.00 2.99 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 17 N 8.91 5.06 0.00 3.03 3.02 0.00 0.00 7.09 6.28 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 18 G 8.56 3.68 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 0.00 0.00 0.00 19 K 7.98 3.84 0.00 1.90 1.71 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.50 7.81 20 Q 8.66 3.67 0.00 1.79 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 21 A 7.51 4.03 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 22 E 7.67 3.15 0.00 1.76 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 0.00 0.00 0.00 1.47 2.28 0.00 23 D 7.76 4.20 0.00 2.63 2.56 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 0.00 0.00 0.00 0.00 24 Y 8.09 3.97 0.00 2.48 2.98 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 25 L 7.91 4.19 0.00 2.07 1.95 1.24 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.36 4.09 0.00 1.98 2.03 0.00 3.13 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 27 S 7.72 4.37 0.00 3.90 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 28 K 7.64 4.30 0.00 1.84 2.02 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.45 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.11 1.12 7.81 29 E 8.34 4.46 0.00 2.04 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 2.31 2.28 0.00 30 R 8.31 4.27 0.00 1.85 1.94 0.00 3.17 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 31 G 9.59 4.31 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 0.00 32 D 8.12 5.06 0.00 2.96 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 33 F 8.30 5.76 0.00 3.20 3.20 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 34 V 9.26 4.93 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 0.53 0.00 0.00 1.09 0.00 0.00 35 I 9.04 4.82 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 1.10 0.00 0.00 36 R 9.40 5.60 0.00 2.14 2.11 0.00 3.20 0.00 0.00 3.70 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 37 Q 8.40 4.75 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 38 S 8.97 4.37 0.00 4.01 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 39 S 8.90 4.19 0.00 3.90 3.97 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 40 R 7.50 4.13 0.00 1.87 1.97 0.00 2.95 0.00 0.00 2.71 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 *43 D 7.21 4.47 0.00 2.72 2.52 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 44 H 8.04 4.56 0.00 3.18 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.57 5.43 0.00 1.59 1.60 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.14 5.08 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 47 I 9.25 4.99 1.83 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 1.07 0.58 0.56 0.00 0.00 48 T 9.15 5.39 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 1.18 0.00 0.00 49 W 9.05 5.91 0.00 3.83 3.31 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 50 K 9.43 4.67 0.00 2.08 1.88 0.00 1.88 0.00 0.00 1.87 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.26 1.08 7.81 51 L 8.53 3.95 0.00 1.38 1.49 0.63 -0.41 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 52 D 7.12 4.29 0.00 2.52 2.34 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 53 K 8.54 3.76 0.00 1.69 1.70 0.00 1.96 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 D 8.51 4.30 0.00 2.80 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 55 L 7.16 4.46 0.00 1.50 1.25 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.64 5.24 0.00 3.02 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 57 Q 8.61 4.66 0.00 0.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 58 H 8.75 5.48 0.00 3.03 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.19 4.72 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 1.20 0.00 0.00 1.32 0.00 0.00 60 D 8.89 4.90 0.00 2.77 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 61 I 8.35 4.71 1.99 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 1.24 0.66 0.94 0.00 0.00 62 Q 8.70 4.82 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 63 E 8.61 4.85 0.00 1.84 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 2.25 2.28 0.00 *65 E 8.41 3.93 0.00 1.95 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 0.00 2.19 2.34 0.00 66 K 8.63 4.05 0.00 1.79 1.76 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 67 E 8.39 3.77 0.00 1.94 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 2.32 2.34 0.00 68 N 8.79 4.29 0.00 2.74 2.67 0.00 0.00 7.34 7.69 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 69 P 0.00 3.62 0.00 2.12 2.15 0.00 3.76 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 2.00 2.13 0.00 *73 G 7.45 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 74 K 8.23 4.91 0.00 1.59 1.79 0.00 1.69 0.00 0.00 2.07 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 75 V 8.16 4.48 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 0.71 0.00 0.00 0.80 0.00 0.00 76 L 8.53 4.76 0.00 1.75 1.70 0.91 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 77 V 8.75 4.93 2.12 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 0.99 0.00 0.00 0.93 0.00 0.00 78 V 8.47 4.40 2.47 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 1.11 0.00 0.00 1.15 0.00 0.00 79 E 8.79 3.72 0.00 2.34 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 0.00 2.28 2.40 0.00 80 G 8.19 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 81 Q 7.43 4.38 0.00 2.37 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 82 R 8.07 4.74 0.00 1.61 1.72 0.00 3.09 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 83 Y 8.81 4.85 0.00 2.96 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 84 H 8.93 4.62 0.00 3.18 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.66 4.82 0.00 2.73 2.47 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 86 L 8.47 4.14 0.00 1.75 1.61 0.84 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.84 4.42 0.00 2.79 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 88 Q 8.09 4.02 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 89 I 7.03 3.18 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.27 0.67 0.00 0.00 90 I 7.39 3.51 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 0.81 0.00 0.00 91 V 7.75 3.54 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 0.97 0.00 0.00 0.99 0.00 0.00 92 E 7.88 3.82 0.00 2.01 1.58 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 2.24 2.35 0.00 93 Y 7.72 3.19 0.00 1.85 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 94 L 8.11 4.20 0.00 1.96 1.77 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.53 3.97 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 96 N 8.11 4.11 0.00 2.46 2.60 0.00 0.00 6.77 6.51 0.00 0.00 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 8.04 3.99 0.00 2.27 2.09 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.54 1.78 7.81 98 I 7.93 3.70 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.93 0.00 0.00 99 R 8.10 3.88 0.00 1.76 2.10 0.00 3.24 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 100 L 8.02 4.18 0.00 2.05 1.75 1.09 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.86 4.21 0.00 1.82 1.84 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.54 4.81 0.00 2.94 2.88 0.00 0.00 6.76 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 0.00 103 E 8.32 4.22 0.00 1.87 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 2.25 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.